data_17835 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17835 _Entry.PDB_ID 2LH9 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 17835 _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 5 5 LEU N N 2 124.907 124.907 122.825 2.082 17835 2 1 1 . 1 1 5 5 LEU HA H 2 4.299 4.299 4.415 -0.116 17835 3 1 1 . 1 1 5 5 LEU C C 2 177.892 177.892 178.187 -0.295 17835 4 1 1 . 1 1 5 5 LEU CA C 2 55.749 55.749 54.551 1.198 17835 5 1 1 . 1 1 5 5 LEU CB C 2 42.001 42.001 42.764 -0.763 17835 6 1 1 . 1 1 5 5 LEU H H 2 8.636 8.636 8.300 0.336 17835 7 1 1 . 1 1 6 6 GLU N N 3 122.649 122.649 122.342 0.307 17835 8 1 1 . 1 1 6 6 GLU HA H 3 4.172 4.172 3.965 0.207 17835 9 1 1 . 1 1 6 6 GLU C C 3 177.481 177.481 178.520 -1.039 17835 10 1 1 . 1 1 6 6 GLU CA C 3 58.106 58.106 60.114 -2.008 17835 11 1 1 . 1 1 6 6 GLU CB C 3 28.874 28.874 29.759 -0.885 17835 12 1 1 . 1 1 6 6 GLU H H 3 8.594 8.594 8.992 -0.398 17835 13 1 1 . 1 1 7 7 ALA N N 4 121.929 121.929 119.598 2.331 17835 14 1 1 . 1 1 7 7 ALA HA H 4 3.944 3.944 4.187 -0.243 17835 15 1 1 . 1 1 7 7 ALA C C 4 180.419 180.419 179.734 0.685 17835 16 1 1 . 1 1 7 7 ALA CA C 4 55.686 55.686 55.146 0.540 17835 17 1 1 . 1 1 7 7 ALA CB C 4 18.587 18.587 18.187 0.400 17835 18 1 1 . 1 1 7 7 ALA H H 4 8.744 8.744 8.444 0.300 17835 19 1 1 . 1 1 8 8 ASP N N 5 117.514 117.514 119.489 -1.975 17835 20 1 1 . 1 1 8 8 ASP HA H 5 4.482 4.482 4.539 -0.057 17835 21 1 1 . 1 1 8 8 ASP C C 5 178.010 178.010 178.053 -0.043 17835 22 1 1 . 1 1 8 8 ASP CA C 5 56.603 56.603 56.729 -0.126 17835 23 1 1 . 1 1 8 8 ASP CB C 5 40.353 40.353 41.043 -0.690 17835 24 1 1 . 1 1 8 8 ASP H H 5 8.071 8.071 7.651 0.420 17835 25 1 1 . 1 1 9 9 LEU N N 6 122.640 122.640 121.812 0.828 17835 26 1 1 . 1 1 9 9 LEU HA H 6 4.165 4.165 4.118 0.047 17835 27 1 1 . 1 1 9 9 LEU C C 6 178.699 178.699 178.628 0.071 17835 28 1 1 . 1 1 9 9 LEU CA C 6 57.986 57.986 58.361 -0.376 17835 29 1 1 . 1 1 9 9 LEU CB C 6 41.675 41.675 42.210 -0.535 17835 30 1 1 . 1 1 9 9 LEU H H 6 7.713 7.713 8.419 -0.706 17835 31 1 1 . 1 1 10 10 VAL N N 7 119.303 119.303 115.796 3.507 17835 32 1 1 . 1 1 10 10 VAL HA H 7 4.025 4.025 3.875 0.150 17835 33 1 1 . 1 1 10 10 VAL C C 7 178.570 178.570 178.171 0.399 17835 34 1 1 . 1 1 10 10 VAL CA C 7 65.683 65.683 66.441 -0.758 17835 35 1 1 . 1 1 10 10 VAL CB C 7 31.841 31.841 30.648 1.193 17835 36 1 1 . 1 1 10 10 VAL H H 7 8.115 8.115 8.370 -0.255 17835 37 1 1 . 1 1 11 11 SER N N 8 113.146 113.146 118.654 -5.508 17835 38 1 1 . 1 1 11 11 SER HA H 8 4.042 4.042 4.238 -0.196 17835 39 1 1 . 1 1 11 11 SER C C 8 176.364 176.364 176.759 -0.395 17835 40 1 1 . 1 1 11 11 SER CA C 8 62.600 62.600 62.964 -0.364 17835 41 1 1 . 1 1 11 11 SER CB C 8 61.596 61.596 63.006 -1.410 17835 42 1 1 . 1 1 11 11 SER H H 8 7.796 7.796 8.017 -0.221 17835 43 1 1 . 1 1 12 12 LYS N N 9 121.690 121.690 121.748 -0.058 17835 44 1 1 . 1 1 12 12 LYS HA H 9 4.044 4.044 3.983 0.061 17835 45 1 1 . 1 1 12 12 LYS C C 9 180.048 180.048 178.876 1.172 17835 46 1 1 . 1 1 12 12 LYS CA C 9 60.002 60.002 59.745 0.257 17835 47 1 1 . 1 1 12 12 LYS CB C 9 32.839 32.839 32.395 0.444 17835 48 1 1 . 1 1 12 12 LYS H H 9 7.754 7.754 8.315 -0.561 17835 49 1 1 . 1 1 13 13 MET N N 10 119.794 119.794 118.726 1.068 17835 50 1 1 . 1 1 13 13 MET HA H 10 4.420 4.420 4.162 0.258 17835 51 1 1 . 1 1 13 13 MET C C 10 178.151 178.151 178.329 -0.178 17835 52 1 1 . 1 1 13 13 MET CA C 10 57.095 57.095 59.062 -1.967 17835 53 1 1 . 1 1 13 13 MET CB C 10 31.599 31.599 32.698 -1.099 17835 54 1 1 . 1 1 13 13 MET H H 10 8.451 8.451 8.389 0.062 17835 55 1 1 . 1 1 14 14 LEU N N 11 122.035 122.035 122.316 -0.281 17835 56 1 1 . 1 1 14 14 LEU HA H 11 4.207 4.207 4.131 0.076 17835 57 1 1 . 1 1 14 14 LEU C C 11 178.526 178.526 177.917 0.609 17835 58 1 1 . 1 1 14 14 LEU CA C 11 58.178 58.178 59.000 -0.822 17835 59 1 1 . 1 1 14 14 LEU CB C 11 42.148 42.148 41.663 0.485 17835 60 1 1 . 1 1 14 14 LEU H H 11 9.301 9.301 8.729 0.572 17835 61 1 1 . 1 1 15 15 ARG N N 12 118.150 118.150 119.413 -1.263 17835 62 1 1 . 1 1 15 15 ARG HA H 12 3.839 3.839 3.865 -0.026 17835 63 1 1 . 1 1 15 15 ARG C C 12 177.951 177.951 178.398 -0.447 17835 64 1 1 . 1 1 15 15 ARG CA C 12 60.500 60.500 59.312 1.188 17835 65 1 1 . 1 1 15 15 ARG CB C 12 29.966 29.966 29.813 0.153 17835 66 1 1 . 1 1 15 15 ARG H H 12 8.248 8.248 8.519 -0.271 17835 67 1 1 . 1 1 16 16 ALA N N 13 120.291 120.291 121.366 -1.075 17835 68 1 1 . 1 1 16 16 ALA HA H 13 4.150 4.150 4.104 0.046 17835 69 1 1 . 1 1 16 16 ALA C C 13 181.072 181.072 179.858 1.214 17835 70 1 1 . 1 1 16 16 ALA CA C 13 55.371 55.371 54.975 0.396 17835 71 1 1 . 1 1 16 16 ALA CB C 13 17.845 17.845 18.146 -0.301 17835 72 1 1 . 1 1 16 16 ALA H H 13 7.587 7.587 8.167 -0.580 17835 73 1 1 . 1 1 17 17 VAL N N 14 119.183 119.183 119.618 -0.435 17835 74 1 1 . 1 1 17 17 VAL HA H 14 3.858 3.858 3.353 0.505 17835 75 1 1 . 1 1 17 17 VAL C C 14 178.531 178.531 177.896 0.635 17835 76 1 1 . 1 1 17 17 VAL CA C 14 65.552 65.552 67.441 -1.889 17835 77 1 1 . 1 1 17 17 VAL CB C 14 32.190 32.190 31.515 0.674 17835 78 1 1 . 1 1 17 17 VAL H H 14 8.324 8.324 8.040 0.284 17835 79 1 1 . 1 1 18 18 LEU N N 15 120.498 120.498 118.897 1.601 17835 80 1 1 . 1 1 18 18 LEU HA H 15 3.985 3.985 3.947 0.038 17835 81 1 1 . 1 1 18 18 LEU C C 15 179.935 179.935 179.134 0.801 17835 82 1 1 . 1 1 18 18 LEU CA C 15 58.474 58.474 57.650 0.824 17835 83 1 1 . 1 1 18 18 LEU CB C 15 41.885 41.885 41.307 0.578 17835 84 1 1 . 1 1 18 18 LEU H H 15 8.388 8.388 7.981 0.407 17835 85 1 1 . 1 1 19 19 GLN N N 16 117.835 117.835 117.339 0.496 17835 86 1 1 . 1 1 19 19 GLN HA H 16 3.981 3.981 4.061 -0.080 17835 87 1 1 . 1 1 19 19 GLN C C 16 177.304 177.304 179.149 -1.845 17835 88 1 1 . 1 1 19 19 GLN CA C 16 58.668 58.668 58.474 0.194 17835 89 1 1 . 1 1 19 19 GLN CB C 16 28.274 28.274 28.342 -0.068 17835 90 1 1 . 1 1 19 19 GLN H H 16 8.689 8.689 8.312 0.377 17835 91 1 1 . 1 1 20 20 SER N N 17 111.043 111.043 117.015 -5.972 17835 92 1 1 . 1 1 20 20 SER HA H 17 4.386 4.386 4.342 0.044 17835 93 1 1 . 1 1 20 20 SER C C 17 173.630 173.630 176.485 -2.855 17835 94 1 1 . 1 1 20 20 SER CA C 17 59.252 59.252 61.238 -1.986 17835 95 1 1 . 1 1 20 20 SER CB C 17 63.600 63.600 63.658 -0.058 17835 96 1 1 . 1 1 20 20 SER H H 17 7.461 7.461 7.999 -0.538 17835 97 1 1 . 1 1 21 21 HIS N N 18 121.324 121.324 120.538 0.786 17835 98 1 1 . 1 1 21 21 HIS HA H 18 4.824 4.824 4.815 0.009 17835 99 1 1 . 1 1 21 21 HIS C C 18 174.835 174.835 175.233 -0.398 17835 100 1 1 . 1 1 21 21 HIS CA C 18 54.386 54.386 52.865 1.521 17835 101 1 1 . 1 1 21 21 HIS CB C 18 28.657 28.657 27.555 1.102 17835 102 1 1 . 1 1 21 21 HIS H H 18 7.692 7.692 8.165 -0.473 17835 103 1 1 . 1 1 22 22 LYS N N 19 123.925 123.925 121.143 2.782 17835 104 1 1 . 1 1 22 22 LYS HA H 19 4.161 4.161 4.146 0.015 17835 105 1 1 . 1 1 22 22 LYS C C 19 177.562 177.562 177.515 0.047 17835 106 1 1 . 1 1 22 22 LYS CA C 19 59.316 59.316 58.227 1.089 17835 107 1 1 . 1 1 22 22 LYS CB C 19 32.202 32.202 31.867 0.335 17835 108 1 1 . 1 1 22 22 LYS H H 19 8.809 8.809 7.649 1.160 17835 109 1 1 . 1 1 23 23 ASN N N 20 115.473 115.473 116.308 -0.835 17835 110 1 1 . 1 1 23 23 ASN HA H 20 5.073 5.073 4.690 0.383 17835 111 1 1 . 1 1 23 23 ASN C C 20 174.783 174.783 175.933 -1.150 17835 112 1 1 . 1 1 23 23 ASN CA C 20 52.835 52.835 53.570 -0.735 17835 113 1 1 . 1 1 23 23 ASN CB C 20 38.540 38.540 39.009 -0.469 17835 114 1 1 . 1 1 23 23 ASN H H 20 8.784 8.784 8.154 0.630 17835 115 1 1 . 1 1 24 24 GLY N N 21 107.402 107.402 108.533 -1.131 17835 116 1 1 . 1 1 24 24 GLY C C 21 172.572 172.572 172.883 -0.311 17835 117 1 1 . 1 1 24 24 GLY CA C 21 44.739 44.739 44.530 0.209 17835 118 1 1 . 1 1 24 24 GLY H H 21 7.743 7.743 7.944 -0.201 17835 119 1 1 . 1 1 25 25 ILE N N 22 117.796 117.796 115.833 1.963 17835 120 1 1 . 1 1 25 25 ILE HA H 22 4.272 4.272 4.663 -0.391 17835 121 1 1 . 1 1 25 25 ILE C C 22 175.452 175.452 174.968 0.484 17835 122 1 1 . 1 1 25 25 ILE CA C 22 59.468 59.468 59.199 0.269 17835 123 1 1 . 1 1 25 25 ILE CB C 22 41.833 41.833 40.725 1.108 17835 124 1 1 . 1 1 25 25 ILE H H 22 8.509 8.509 7.945 0.564 17835 125 1 1 . 1 1 26 26 VAL N N 23 124.597 124.597 122.444 2.153 17835 126 1 1 . 1 1 26 26 VAL HA H 23 4.585 4.585 4.387 0.198 17835 127 1 1 . 1 1 26 26 VAL C C 23 177.566 177.566 177.536 0.030 17835 128 1 1 . 1 1 26 26 VAL CA C 23 62.227 62.227 62.050 0.177 17835 129 1 1 . 1 1 26 26 VAL CB C 23 31.945 31.945 32.151 -0.207 17835 130 1 1 . 1 1 26 26 VAL H H 23 8.524 8.524 8.401 0.123 17835 131 1 1 . 1 1 27 27 LEU N N 24 124.858 124.858 121.292 3.566 17835 132 1 1 . 1 1 27 27 LEU HA H 24 4.011 4.011 4.304 -0.293 17835 133 1 1 . 1 1 27 27 LEU C C 24 175.569 175.569 176.555 -0.986 17835 134 1 1 . 1 1 27 27 LEU CA C 24 60.394 60.394 58.862 1.532 17835 135 1 1 . 1 1 27 27 LEU CB C 24 39.402 39.402 39.007 0.395 17835 136 1 1 . 1 1 27 27 LEU H H 24 8.816 8.816 8.720 0.096 17835 137 1 1 . 1 1 28 28 PRO HA H 25 4.401 4.401 4.292 0.109 17835 138 1 1 . 1 1 28 28 PRO C C 25 177.600 177.600 179.039 -1.439 17835 139 1 1 . 1 1 28 28 PRO CA C 25 65.549 65.549 65.489 0.060 17835 140 1 1 . 1 1 28 28 PRO CB C 25 31.458 31.458 30.893 0.565 17835 141 1 1 . 1 1 29 29 ARG N N 26 115.136 115.136 119.247 -4.111 17835 142 1 1 . 1 1 29 29 ARG HA H 26 4.511 4.511 4.076 0.435 17835 143 1 1 . 1 1 29 29 ARG C C 26 177.152 177.152 178.196 -1.044 17835 144 1 1 . 1 1 29 29 ARG CA C 26 55.853 55.853 59.390 -3.537 17835 145 1 1 . 1 1 29 29 ARG CB C 26 30.981 30.981 29.843 1.138 17835 146 1 1 . 1 1 29 29 ARG H H 26 7.869 7.869 7.705 0.164 17835 147 1 1 . 1 1 30 30 LEU N N 27 122.984 122.984 121.627 1.357 17835 148 1 1 . 1 1 30 30 LEU HA H 27 3.842 3.842 3.984 -0.142 17835 149 1 1 . 1 1 30 30 LEU C C 27 177.872 177.872 178.386 -0.514 17835 150 1 1 . 1 1 30 30 LEU CA C 27 59.458 59.458 58.354 1.104 17835 151 1 1 . 1 1 30 30 LEU CB C 27 42.326 42.326 41.688 0.638 17835 152 1 1 . 1 1 30 30 LEU H H 27 7.870 7.870 8.603 -0.733 17835 153 1 1 . 1 1 31 31 GLN N N 28 117.382 117.382 117.783 -0.401 17835 154 1 1 . 1 1 31 31 GLN HA H 28 4.689 4.689 4.004 0.685 17835 155 1 1 . 1 1 31 31 GLN C C 28 178.888 178.888 179.013 -0.125 17835 156 1 1 . 1 1 31 31 GLN CA C 28 60.243 60.243 59.727 0.516 17835 157 1 1 . 1 1 31 31 GLN CB C 28 27.811 27.811 28.272 -0.461 17835 158 1 1 . 1 1 31 31 GLN H H 28 9.217 9.217 7.969 1.248 17835 159 1 1 . 1 1 32 32 GLY N N 29 105.066 105.066 107.859 -2.793 17835 160 1 1 . 1 1 32 32 GLY C C 29 177.579 177.579 176.556 1.023 17835 161 1 1 . 1 1 32 32 GLY CA C 29 47.254 47.254 47.263 -0.009 17835 162 1 1 . 1 1 32 32 GLY H H 29 8.680 8.680 8.203 0.477 17835 163 1 1 . 1 1 33 33 GLU N N 30 121.593 121.593 123.030 -1.437 17835 164 1 1 . 1 1 33 33 GLU HA H 30 4.274 4.274 4.184 0.090 17835 165 1 1 . 1 1 33 33 GLU C C 30 179.316 179.316 178.957 0.359 17835 166 1 1 . 1 1 33 33 GLU CA C 30 59.068 59.068 58.614 0.454 17835 167 1 1 . 1 1 33 33 GLU CB C 30 29.077 29.077 29.330 -0.253 17835 168 1 1 . 1 1 33 33 GLU H H 30 8.063 8.063 8.192 -0.129 17835 169 1 1 . 1 1 34 34 TYR N N 31 123.143 123.143 122.254 0.889 17835 170 1 1 . 1 1 34 34 TYR HA H 31 4.083 4.083 4.061 0.022 17835 171 1 1 . 1 1 34 34 TYR C C 31 178.379 178.379 177.272 1.107 17835 172 1 1 . 1 1 34 34 TYR CA C 31 62.406 62.406 61.675 0.730 17835 173 1 1 . 1 1 34 34 TYR CB C 31 39.405 39.405 38.519 0.886 17835 174 1 1 . 1 1 34 34 TYR H H 31 9.063 9.063 8.948 0.115 17835 175 1 1 . 1 1 35 35 ARG N N 32 123.458 123.458 119.375 4.083 17835 176 1 1 . 1 1 35 35 ARG HA H 32 4.281 4.281 3.887 0.394 17835 177 1 1 . 1 1 35 35 ARG C C 32 180.186 180.186 179.003 1.183 17835 178 1 1 . 1 1 35 35 ARG CA C 32 58.908 58.908 58.649 0.259 17835 179 1 1 . 1 1 35 35 ARG CB C 32 29.708 29.708 29.285 0.423 17835 180 1 1 . 1 1 35 35 ARG H H 32 9.321 9.321 8.396 0.925 17835 181 1 1 . 1 1 36 36 SER N N 33 116.071 116.071 115.778 0.293 17835 182 1 1 . 1 1 36 36 SER HA H 33 4.048 4.048 4.100 -0.052 17835 183 1 1 . 1 1 36 36 SER C C 33 175.063 175.063 175.679 -0.616 17835 184 1 1 . 1 1 36 36 SER CA C 33 61.856 61.856 61.012 0.844 17835 185 1 1 . 1 1 36 36 SER CB C 33 62.779 62.779 63.002 -0.223 17835 186 1 1 . 1 1 36 36 SER H H 33 8.078 8.078 7.876 0.202 17835 187 1 1 . 1 1 37 37 LEU N N 34 118.571 118.571 122.135 -3.564 17835 188 1 1 . 1 1 37 37 LEU HA H 34 4.342 4.342 4.205 0.137 17835 189 1 1 . 1 1 37 37 LEU C C 34 178.400 178.400 178.167 0.233 17835 190 1 1 . 1 1 37 37 LEU CA C 34 57.073 57.073 57.150 -0.076 17835 191 1 1 . 1 1 37 37 LEU CB C 34 43.132 43.132 42.377 0.755 17835 192 1 1 . 1 1 37 37 LEU H H 34 7.167 7.167 7.537 -0.370 17835 193 1 1 . 1 1 38 38 THR N N 35 106.425 106.425 109.452 -3.027 17835 194 1 1 . 1 1 38 38 THR HA H 35 4.163 4.163 4.181 -0.018 17835 195 1 1 . 1 1 38 38 THR C C 35 176.259 176.259 175.734 0.525 17835 196 1 1 . 1 1 38 38 THR CA C 35 62.637 62.637 62.377 0.261 17835 197 1 1 . 1 1 38 38 THR CB C 35 71.659 71.659 69.207 2.452 17835 198 1 1 . 1 1 38 38 THR H H 35 8.168 8.168 7.817 0.351 17835 199 1 1 . 1 1 39 39 GLY N N 36 112.162 112.162 109.564 2.598 17835 200 1 1 . 1 1 39 39 GLY C C 36 172.464 172.464 173.215 -0.751 17835 201 1 1 . 1 1 39 39 GLY CA C 36 45.225 45.225 45.038 0.187 17835 202 1 1 . 1 1 39 39 GLY H H 36 8.759 8.759 7.663 1.096 17835 203 1 1 . 1 1 40 40 ASP N N 37 121.106 121.106 118.967 2.139 17835 204 1 1 . 1 1 40 40 ASP HA H 37 4.733 4.733 4.706 0.027 17835 205 1 1 . 1 1 40 40 ASP C C 37 173.861 173.861 174.006 -0.145 17835 206 1 1 . 1 1 40 40 ASP CA C 37 52.159 52.159 52.122 0.037 17835 207 1 1 . 1 1 40 40 ASP CB C 37 44.573 44.573 43.017 1.556 17835 208 1 1 . 1 1 40 40 ASP H H 37 8.414 8.414 7.464 0.950 17835 209 1 1 . 1 1 41 41 TRP N N 38 115.206 115.206 119.958 -4.752 17835 210 1 1 . 1 1 41 41 TRP HA H 38 5.107 5.107 4.921 0.186 17835 211 1 1 . 1 1 41 41 TRP C C 38 177.125 177.125 177.690 -0.565 17835 212 1 1 . 1 1 41 41 TRP CA C 38 54.889 54.889 56.370 -1.481 17835 213 1 1 . 1 1 41 41 TRP CB C 38 31.592 31.592 30.833 0.759 17835 214 1 1 . 1 1 41 41 TRP H H 38 8.016 8.016 8.246 -0.230 17835 215 1 1 . 1 1 42 42 ILE N N 39 123.723 123.723 122.715 1.008 17835 216 1 1 . 1 1 42 42 ILE HA H 39 3.512 3.512 3.573 -0.061 17835 217 1 1 . 1 1 42 42 ILE C C 39 177.199 177.199 175.671 1.528 17835 218 1 1 . 1 1 42 42 ILE CA C 39 60.467 60.467 60.385 0.082 17835 219 1 1 . 1 1 42 42 ILE CB C 39 38.133 38.133 36.800 1.333 17835 220 1 1 . 1 1 42 42 ILE H H 39 10.079 10.079 9.354 0.725 17835 221 1 1 . 1 1 43 43 PRO HA H 40 4.600 4.600 4.775 -0.175 17835 222 1 1 . 1 1 43 43 PRO C C 40 174.997 174.997 176.864 -1.867 17835 223 1 1 . 1 1 43 43 PRO CA C 40 62.511 62.511 62.335 0.176 17835 224 1 1 . 1 1 43 43 PRO CB C 40 27.857 27.857 29.545 -1.688 17835 225 1 1 . 1 1 44 44 PHE N N 41 118.808 118.808 120.082 -1.274 17835 226 1 1 . 1 1 44 44 PHE HA H 41 3.737 3.737 4.194 -0.457 17835 227 1 1 . 1 1 44 44 PHE C C 41 175.891 175.891 176.728 -0.837 17835 228 1 1 . 1 1 44 44 PHE CA C 41 60.911 60.911 61.863 -0.952 17835 229 1 1 . 1 1 44 44 PHE CB C 41 38.412 38.412 37.591 0.821 17835 230 1 1 . 1 1 44 44 PHE H H 41 7.647 7.647 7.908 -0.261 17835 231 1 1 . 1 1 45 45 LYS N N 42 123.543 123.543 119.790 3.753 17835 232 1 1 . 1 1 45 45 LYS HA H 42 4.763 4.763 4.084 0.679 17835 233 1 1 . 1 1 45 45 LYS C C 42 181.828 181.828 178.679 3.149 17835 234 1 1 . 1 1 45 45 LYS CA C 42 58.959 58.959 58.559 0.400 17835 235 1 1 . 1 1 45 45 LYS CB C 42 31.599 31.599 31.552 0.047 17835 236 1 1 . 1 1 45 45 LYS H H 42 7.387 7.387 7.226 0.161 17835 237 1 1 . 1 1 46 46 GLN N N 43 123.171 123.171 118.367 4.804 17835 238 1 1 . 1 1 46 46 GLN HA H 43 3.896 3.896 4.000 -0.104 17835 239 1 1 . 1 1 46 46 GLN C C 43 178.167 178.167 177.972 0.195 17835 240 1 1 . 1 1 46 46 GLN CA C 43 59.066 59.066 58.429 0.637 17835 241 1 1 . 1 1 46 46 GLN CB C 43 27.702 27.702 28.254 -0.552 17835 242 1 1 . 1 1 46 46 GLN H H 43 8.567 8.567 7.866 0.701 17835 243 1 1 . 1 1 47 47 LEU N N 44 116.472 116.472 118.295 -1.823 17835 244 1 1 . 1 1 47 47 LEU HA H 44 4.255 4.255 4.214 0.041 17835 245 1 1 . 1 1 47 47 LEU C C 44 176.103 176.103 178.049 -1.946 17835 246 1 1 . 1 1 47 47 LEU CA C 44 55.308 55.308 55.917 -0.609 17835 247 1 1 . 1 1 47 47 LEU CB C 44 41.374 41.374 42.867 -1.493 17835 248 1 1 . 1 1 47 47 LEU H H 44 7.544 7.544 8.223 -0.679 17835 249 1 1 . 1 1 48 48 GLY N N 45 104.932 104.932 103.918 1.014 17835 250 1 1 . 1 1 48 48 GLY C C 45 173.844 173.844 174.415 -0.571 17835 251 1 1 . 1 1 48 48 GLY CA C 45 44.826 44.826 44.415 0.411 17835 252 1 1 . 1 1 48 48 GLY H H 45 7.741 7.741 7.848 -0.107 17835 253 1 1 . 1 1 49 49 TYR N N 46 119.946 119.946 121.007 -1.061 17835 254 1 1 . 1 1 49 49 TYR HA H 46 4.839 4.839 4.858 -0.019 17835 255 1 1 . 1 1 49 49 TYR C C 46 174.575 174.575 174.965 -0.390 17835 256 1 1 . 1 1 49 49 TYR CA C 46 56.349 56.349 56.080 0.269 17835 257 1 1 . 1 1 49 49 TYR CB C 46 41.464 41.464 38.432 3.032 17835 258 1 1 . 1 1 49 49 TYR H H 46 8.332 8.332 7.980 0.352 17835 259 1 1 . 1 1 50 50 PRO HA H 47 4.556 4.556 4.464 0.092 17835 260 1 1 . 1 1 50 50 PRO C C 47 177.125 177.125 176.900 0.225 17835 261 1 1 . 1 1 50 50 PRO CA C 47 64.115 64.115 64.532 -0.417 17835 262 1 1 . 1 1 50 50 PRO CB C 47 32.152 32.152 31.912 0.240 17835 263 1 1 . 1 1 51 51 THR N N 48 105.643 105.643 107.459 -1.816 17835 264 1 1 . 1 1 51 51 THR HA H 48 4.129 4.129 4.362 -0.233 17835 265 1 1 . 1 1 51 51 THR C C 48 173.270 173.270 174.708 -1.438 17835 266 1 1 . 1 1 51 51 THR CA C 48 58.738 58.738 59.859 -1.121 17835 267 1 1 . 1 1 51 51 THR CB C 48 73.254 73.254 71.573 1.681 17835 268 1 1 . 1 1 51 51 THR H H 48 6.939 6.939 7.510 -0.571 17835 269 1 1 . 1 1 52 52 LEU N N 49 121.743 121.743 122.755 -1.012 17835 270 1 1 . 1 1 52 52 LEU HA H 49 3.325 3.325 3.845 -0.520 17835 271 1 1 . 1 1 52 52 LEU C C 49 178.195 178.195 178.694 -0.499 17835 272 1 1 . 1 1 52 52 LEU CA C 49 57.551 57.551 57.787 -0.236 17835 273 1 1 . 1 1 52 52 LEU CB C 49 40.517 40.517 40.519 -0.002 17835 274 1 1 . 1 1 52 52 LEU H H 49 7.849 7.849 8.142 -0.293 17835 275 1 1 . 1 1 53 53 GLU N N 50 118.706 118.706 118.833 -0.127 17835 276 1 1 . 1 1 53 53 GLU HA H 50 3.411 3.411 3.878 -0.467 17835 277 1 1 . 1 1 53 53 GLU C C 50 176.853 176.853 178.532 -1.679 17835 278 1 1 . 1 1 53 53 GLU CA C 50 60.720 60.720 59.393 1.327 17835 279 1 1 . 1 1 53 53 GLU CB C 50 28.696 28.696 28.765 -0.069 17835 280 1 1 . 1 1 53 53 GLU H H 50 8.981 8.981 8.739 0.242 17835 281 1 1 . 1 1 54 54 ALA N N 51 119.673 119.673 122.587 -2.914 17835 282 1 1 . 1 1 54 54 ALA HA H 51 3.885 3.885 4.032 -0.147 17835 283 1 1 . 1 1 54 54 ALA C C 51 180.232 180.232 179.397 0.835 17835 284 1 1 . 1 1 54 54 ALA CA C 51 55.127 55.127 55.000 0.127 17835 285 1 1 . 1 1 54 54 ALA CB C 51 18.345 18.345 18.472 -0.127 17835 286 1 1 . 1 1 54 54 ALA H H 51 8.001 8.001 7.802 0.199 17835 287 1 1 . 1 1 55 55 TYR N N 52 117.474 117.474 120.187 -2.713 17835 288 1 1 . 1 1 55 55 TYR HA H 52 2.898 2.898 3.230 -0.332 17835 289 1 1 . 1 1 55 55 TYR C C 52 178.563 178.563 177.121 1.442 17835 290 1 1 . 1 1 55 55 TYR CA C 52 59.876 59.876 61.097 -1.221 17835 291 1 1 . 1 1 55 55 TYR CB C 52 37.365 37.365 38.234 -0.869 17835 292 1 1 . 1 1 55 55 TYR H H 52 7.218 7.218 7.924 -0.706 17835 293 1 1 . 1 1 56 56 LEU N N 53 121.106 121.106 117.269 3.837 17835 294 1 1 . 1 1 56 56 LEU HA H 53 3.221 3.221 3.713 -0.492 17835 295 1 1 . 1 1 56 56 LEU C C 53 179.706 179.706 179.245 0.461 17835 296 1 1 . 1 1 56 56 LEU CA C 53 57.334 57.334 57.245 0.089 17835 297 1 1 . 1 1 56 56 LEU CB C 53 40.788 40.788 41.629 -0.841 17835 298 1 1 . 1 1 56 56 LEU H H 53 8.440 8.440 7.811 0.629 17835 299 1 1 . 1 1 57 57 ARG N N 54 116.303 116.303 120.338 -4.035 17835 300 1 1 . 1 1 57 57 ARG HA H 54 3.722 3.722 4.005 -0.283 17835 301 1 1 . 1 1 57 57 ARG C C 54 176.071 176.071 177.807 -1.736 17835 302 1 1 . 1 1 57 57 ARG CA C 54 58.463 58.463 58.669 -0.205 17835 303 1 1 . 1 1 57 57 ARG CB C 54 29.735 29.735 29.893 -0.158 17835 304 1 1 . 1 1 57 57 ARG H H 54 7.998 7.998 8.607 -0.609 17835 305 1 1 . 1 1 58 58 SER N N 55 115.365 115.365 112.874 2.491 17835 306 1 1 . 1 1 58 58 SER HA H 55 4.357 4.357 4.404 -0.047 17835 307 1 1 . 1 1 58 58 SER C C 55 173.970 173.970 173.935 0.035 17835 308 1 1 . 1 1 58 58 SER CA C 55 59.762 59.762 59.904 -0.141 17835 309 1 1 . 1 1 58 58 SER CB C 55 63.886 63.886 63.417 0.469 17835 310 1 1 . 1 1 58 58 SER H H 55 7.491 7.491 7.603 -0.112 17835 311 1 1 . 1 1 59 59 VAL N N 56 113.059 113.059 120.712 -7.653 17835 312 1 1 . 1 1 59 59 VAL HA H 56 5.090 5.090 4.569 0.521 17835 313 1 1 . 1 1 59 59 VAL C C 56 174.276 174.276 173.925 0.351 17835 314 1 1 . 1 1 59 59 VAL CA C 56 58.444 58.444 58.716 -0.272 17835 315 1 1 . 1 1 59 59 VAL CB C 56 31.559 31.559 32.726 -1.167 17835 316 1 1 . 1 1 59 59 VAL H H 56 6.729 6.729 7.061 -0.332 17835 317 1 1 . 1 1 60 60 PRO HA H 57 4.902 4.902 4.770 0.132 17835 318 1 1 . 1 1 60 60 PRO C C 57 177.563 177.563 177.289 0.274 17835 319 1 1 . 1 1 60 60 PRO CA C 57 64.541 64.541 64.488 0.053 17835 320 1 1 . 1 1 60 60 PRO CB C 57 31.768 31.768 31.646 0.122 17835 321 1 1 . 1 1 61 61 ALA N N 58 120.004 120.004 120.104 -0.100 17835 322 1 1 . 1 1 61 61 ALA HA H 58 4.327 4.327 4.287 0.040 17835 323 1 1 . 1 1 61 61 ALA C C 58 177.191 177.191 177.839 -0.648 17835 324 1 1 . 1 1 61 61 ALA CA C 58 52.795 52.795 53.520 -0.725 17835 325 1 1 . 1 1 61 61 ALA CB C 58 18.427 18.427 19.354 -0.927 17835 326 1 1 . 1 1 61 61 ALA H H 58 8.397 8.397 8.053 0.344 17835 327 1 1 . 1 1 62 62 VAL N N 59 116.635 116.635 113.214 3.421 17835 328 1 1 . 1 1 62 62 VAL HA H 59 4.032 4.032 4.388 -0.356 17835 329 1 1 . 1 1 62 62 VAL C C 59 174.238 174.238 175.085 -0.847 17835 330 1 1 . 1 1 62 62 VAL CA C 59 63.741 63.741 62.793 0.948 17835 331 1 1 . 1 1 62 62 VAL CB C 59 34.115 34.115 34.912 -0.797 17835 332 1 1 . 1 1 62 62 VAL H H 59 8.080 8.080 7.686 0.394 17835 333 1 1 . 1 1 63 63 VAL N N 60 117.153 117.153 119.406 -2.253 17835 334 1 1 . 1 1 63 63 VAL HA H 60 4.911 4.911 4.638 0.273 17835 335 1 1 . 1 1 63 63 VAL C C 60 172.258 172.258 173.750 -1.492 17835 336 1 1 . 1 1 63 63 VAL CA C 60 59.006 59.006 60.962 -1.956 17835 337 1 1 . 1 1 63 63 VAL CB C 60 35.461 35.461 36.358 -0.897 17835 338 1 1 . 1 1 63 63 VAL H H 60 7.791 7.791 8.145 -0.354 17835 339 1 1 . 1 1 64 64 ARG N N 61 129.658 129.658 121.370 8.288 17835 340 1 1 . 1 1 64 64 ARG HA H 61 4.727 4.727 4.710 0.017 17835 341 1 1 . 1 1 64 64 ARG C C 61 174.437 174.437 173.597 0.840 17835 342 1 1 . 1 1 64 64 ARG CA C 61 54.117 54.117 55.450 -1.333 17835 343 1 1 . 1 1 64 64 ARG CB C 61 32.754 32.754 34.279 -1.525 17835 344 1 1 . 1 1 64 64 ARG H H 61 9.208 9.208 8.993 0.215 17835 345 1 1 . 1 1 65 65 ILE N N 62 125.775 125.775 118.436 7.339 17835 346 1 1 . 1 1 65 65 ILE HA H 62 4.917 4.917 5.355 -0.438 17835 347 1 1 . 1 1 65 65 ILE C C 62 175.842 175.842 174.496 1.346 17835 348 1 1 . 1 1 65 65 ILE CA C 62 59.545 59.545 59.794 -0.249 17835 349 1 1 . 1 1 65 65 ILE CB C 62 39.645 39.645 42.365 -2.720 17835 350 1 1 . 1 1 65 65 ILE H H 62 8.736 8.736 8.318 0.418 17835 351 1 1 . 1 1 66 66 GLU N N 63 127.114 127.114 123.073 4.041 17835 352 1 1 . 1 1 66 66 GLU HA H 63 4.677 4.677 4.740 -0.063 17835 353 1 1 . 1 1 66 66 GLU C C 63 174.409 174.409 175.373 -0.964 17835 354 1 1 . 1 1 66 66 GLU CA C 63 54.791 54.791 55.219 -0.428 17835 355 1 1 . 1 1 66 66 GLU CB C 63 33.078 33.078 32.584 0.494 17835 356 1 1 . 1 1 66 66 GLU H H 63 9.197 9.197 9.089 0.108 17835 357 1 1 . 1 1 67 67 ALA N N 64 127.913 127.913 129.780 -1.867 17835 358 1 1 . 1 1 67 67 ALA HA H 64 5.026 5.026 4.630 0.396 17835 359 1 1 . 1 1 67 67 ALA C C 64 177.717 177.717 177.040 0.677 17835 360 1 1 . 1 1 67 67 ALA CA C 64 51.070 51.070 51.934 -0.864 17835 361 1 1 . 1 1 67 67 ALA CB C 64 19.550 19.550 19.073 0.477 17835 362 1 1 . 1 1 67 67 ALA H H 64 8.779 8.779 8.637 0.142 17835 363 1 1 . 1 1 68 68 SER N N 65 119.364 119.364 119.586 -0.222 17835 364 1 1 . 1 1 68 68 SER HA H 65 4.665 4.665 4.487 0.178 17835 365 1 1 . 1 1 68 68 SER C C 65 176.518 176.518 176.638 -0.120 17835 366 1 1 . 1 1 68 68 SER CA C 65 57.096 57.096 56.743 0.353 17835 367 1 1 . 1 1 68 68 SER CB C 65 65.234 65.234 64.451 0.783 17835 368 1 1 . 1 1 68 68 SER H H 65 8.951 8.951 8.520 0.431 17835 369 1 1 . 1 1 69 69 ARG N N 66 123.143 123.143 126.241 -3.098 17835 370 1 1 . 1 1 69 69 ARG HA H 66 4.153 4.153 4.188 -0.035 17835 371 1 1 . 1 1 69 69 ARG C C 66 177.356 177.356 176.502 0.854 17835 372 1 1 . 1 1 69 69 ARG CA C 66 58.973 58.973 58.302 0.671 17835 373 1 1 . 1 1 69 69 ARG CB C 66 29.659 29.659 28.930 0.729 17835 374 1 1 . 1 1 69 69 ARG H H 66 9.075 9.075 8.938 0.137 17835 375 1 1 . 1 1 70 70 SER N N 67 112.081 112.081 114.957 -2.876 17835 376 1 1 . 1 1 70 70 SER HA H 67 4.416 4.416 4.379 0.037 17835 377 1 1 . 1 1 70 70 SER C C 67 175.146 175.146 175.419 -0.273 17835 378 1 1 . 1 1 70 70 SER CA C 67 58.413 58.413 58.516 -0.103 17835 379 1 1 . 1 1 70 70 SER CB C 67 63.477 63.477 63.713 -0.236 17835 380 1 1 . 1 1 70 70 SER H H 67 8.083 8.083 7.741 0.342 17835 381 1 1 . 1 1 71 71 GLY N N 68 110.519 110.519 108.760 1.759 17835 382 1 1 . 1 1 71 71 GLY C C 68 174.116 174.116 174.250 -0.134 17835 383 1 1 . 1 1 71 71 GLY CA C 68 45.114 45.114 45.175 -0.061 17835 384 1 1 . 1 1 71 71 GLY H H 68 7.974 7.974 7.872 0.102 17835 385 1 1 . 1 1 72 72 GLU N N 69 120.663 120.663 119.814 0.849 17835 386 1 1 . 1 1 72 72 GLU HA H 69 4.289 4.289 4.422 -0.133 17835 387 1 1 . 1 1 72 72 GLU C C 69 175.352 175.352 175.140 0.212 17835 388 1 1 . 1 1 72 72 GLU CA C 69 56.082 56.082 56.156 -0.074 17835 389 1 1 . 1 1 72 72 GLU CB C 69 30.517 30.517 30.507 0.010 17835 390 1 1 . 1 1 72 72 GLU H H 69 7.630 7.630 8.034 -0.404 17835 391 1 1 . 1 1 73 73 ILE N N 70 125.775 125.775 121.415 4.360 17835 392 1 1 . 1 1 73 73 ILE HA H 70 4.367 4.367 4.934 -0.567 17835 393 1 1 . 1 1 73 73 ILE C C 70 174.613 174.613 173.772 0.841 17835 394 1 1 . 1 1 73 73 ILE CA C 70 60.876 60.876 59.263 1.613 17835 395 1 1 . 1 1 73 73 ILE CB C 70 37.465 37.465 41.309 -3.844 17835 396 1 1 . 1 1 73 73 ILE H H 70 8.753 8.753 8.373 0.380 17835 397 1 1 . 1 1 74 74 VAL N N 71 128.300 128.300 128.009 0.291 17835 398 1 1 . 1 1 74 74 VAL HA H 71 4.153 4.153 4.411 -0.258 17835 399 1 1 . 1 1 74 74 VAL C C 71 173.544 173.544 174.768 -1.224 17835 400 1 1 . 1 1 74 74 VAL CA C 71 61.736 61.736 60.020 1.716 17835 401 1 1 . 1 1 74 74 VAL CB C 71 33.763 33.763 32.785 0.979 17835 402 1 1 . 1 1 74 74 VAL H H 71 8.724 8.724 8.878 -0.154 17835 403 1 1 . 1 1 75 75 CYS N N 72 122.823 122.823 124.781 -1.958 17835 404 1 1 . 1 1 75 75 CYS HA H 72 4.948 4.948 4.963 -0.015 17835 405 1 1 . 1 1 75 75 CYS C C 72 173.200 173.200 173.680 -0.480 17835 406 1 1 . 1 1 75 75 CYS CA C 72 57.176 57.176 57.650 -0.474 17835 407 1 1 . 1 1 75 75 CYS CB C 72 29.712 29.712 30.224 -0.512 17835 408 1 1 . 1 1 75 75 CYS H H 72 8.200 8.200 8.666 -0.466 17835 409 1 1 . 1 1 76 76 TYR N N 73 119.584 119.584 119.631 -0.047 17835 410 1 1 . 1 1 76 76 TYR HA H 73 5.013 5.013 4.793 0.220 17835 411 1 1 . 1 1 76 76 TYR C C 73 175.779 175.779 174.878 0.901 17835 412 1 1 . 1 1 76 76 TYR CA C 73 56.289 56.289 57.008 -0.719 17835 413 1 1 . 1 1 76 76 TYR CB C 73 42.505 42.505 43.083 -0.578 17835 414 1 1 . 1 1 76 76 TYR H H 73 9.265 9.265 9.281 -0.016 17835 415 1 1 . 1 1 77 77 ALA N N 74 122.844 122.844 122.065 0.779 17835 416 1 1 . 1 1 77 77 ALA HA H 74 4.423 4.423 4.632 -0.209 17835 417 1 1 . 1 1 77 77 ALA C C 74 177.907 177.907 175.628 2.279 17835 418 1 1 . 1 1 77 77 ALA CA C 74 52.151 52.151 51.338 0.813 17835 419 1 1 . 1 1 77 77 ALA CB C 74 18.915 18.915 20.968 -2.054 17835 420 1 1 . 1 1 77 77 ALA H H 74 9.145 9.145 8.903 0.242 17835 421 1 1 . 1 1 78 78 VAL N N 75 123.434 123.434 117.097 6.337 17835 422 1 1 . 1 1 78 78 VAL HA H 75 3.826 3.826 4.293 -0.467 17835 423 1 1 . 1 1 78 78 VAL C C 75 174.995 174.995 174.803 0.192 17835 424 1 1 . 1 1 78 78 VAL CA C 75 63.379 63.379 62.356 1.023 17835 425 1 1 . 1 1 78 78 VAL CB C 75 32.715 32.715 34.626 -1.911 17835 426 1 1 . 1 1 78 78 VAL H H 75 7.894 7.894 8.491 -0.597 17835 427 1 2 . 1 1 5 5 LEU N N 2 124.907 124.907 122.014 2.893 17835 428 1 2 . 1 1 5 5 LEU HA H 2 4.299 4.299 4.444 -0.145 17835 429 1 2 . 1 1 5 5 LEU C C 2 177.892 177.892 177.850 0.042 17835 430 1 2 . 1 1 5 5 LEU CA C 2 55.749 55.749 54.470 1.279 17835 431 1 2 . 1 1 5 5 LEU CB C 2 42.001 42.001 42.551 -0.550 17835 432 1 2 . 1 1 5 5 LEU H H 2 8.636 8.636 8.395 0.241 17835 433 1 2 . 1 1 6 6 GLU N N 3 122.649 122.649 122.100 0.549 17835 434 1 2 . 1 1 6 6 GLU HA H 3 4.172 4.172 3.959 0.213 17835 435 1 2 . 1 1 6 6 GLU C C 3 177.481 177.481 178.537 -1.056 17835 436 1 2 . 1 1 6 6 GLU CA C 3 58.106 58.106 60.054 -1.948 17835 437 1 2 . 1 1 6 6 GLU CB C 3 28.874 28.874 29.725 -0.851 17835 438 1 2 . 1 1 6 6 GLU H H 3 8.594 8.594 8.961 -0.367 17835 439 1 2 . 1 1 7 7 ALA N N 4 121.929 121.929 121.352 0.577 17835 440 1 2 . 1 1 7 7 ALA HA H 4 3.944 3.944 4.185 -0.241 17835 441 1 2 . 1 1 7 7 ALA C C 4 180.419 180.419 179.420 0.999 17835 442 1 2 . 1 1 7 7 ALA CA C 4 55.686 55.686 55.064 0.622 17835 443 1 2 . 1 1 7 7 ALA CB C 4 18.587 18.587 18.016 0.571 17835 444 1 2 . 1 1 7 7 ALA H H 4 8.744 8.744 8.365 0.379 17835 445 1 2 . 1 1 8 8 ASP N N 5 117.514 117.514 119.662 -2.148 17835 446 1 2 . 1 1 8 8 ASP HA H 5 4.482 4.482 4.491 -0.009 17835 447 1 2 . 1 1 8 8 ASP C C 5 178.010 178.010 178.184 -0.174 17835 448 1 2 . 1 1 8 8 ASP CA C 5 56.603 56.603 56.798 -0.195 17835 449 1 2 . 1 1 8 8 ASP CB C 5 40.353 40.353 40.688 -0.335 17835 450 1 2 . 1 1 8 8 ASP H H 5 8.071 8.071 8.268 -0.198 17835 451 1 2 . 1 1 9 9 LEU N N 6 122.640 122.640 121.210 1.430 17835 452 1 2 . 1 1 9 9 LEU HA H 6 4.165 4.165 3.967 0.198 17835 453 1 2 . 1 1 9 9 LEU C C 6 178.699 178.699 178.483 0.216 17835 454 1 2 . 1 1 9 9 LEU CA C 6 57.986 57.986 58.338 -0.352 17835 455 1 2 . 1 1 9 9 LEU CB C 6 41.675 41.675 42.093 -0.418 17835 456 1 2 . 1 1 9 9 LEU H H 6 7.713 7.713 8.261 -0.548 17835 457 1 2 . 1 1 10 10 VAL N N 7 119.303 119.303 115.509 3.794 17835 458 1 2 . 1 1 10 10 VAL HA H 7 4.025 4.025 3.838 0.187 17835 459 1 2 . 1 1 10 10 VAL C C 7 178.570 178.570 177.883 0.687 17835 460 1 2 . 1 1 10 10 VAL CA C 7 65.683 65.683 66.684 -1.001 17835 461 1 2 . 1 1 10 10 VAL CB C 7 31.841 31.841 31.376 0.465 17835 462 1 2 . 1 1 10 10 VAL H H 7 8.115 8.115 7.948 0.167 17835 463 1 2 . 1 1 11 11 SER N N 8 113.146 113.146 118.780 -5.634 17835 464 1 2 . 1 1 11 11 SER HA H 8 4.042 4.042 4.310 -0.268 17835 465 1 2 . 1 1 11 11 SER C C 8 176.364 176.364 176.765 -0.401 17835 466 1 2 . 1 1 11 11 SER CA C 8 62.600 62.600 62.825 -0.225 17835 467 1 2 . 1 1 11 11 SER CB C 8 61.596 61.596 63.115 -1.519 17835 468 1 2 . 1 1 11 11 SER H H 8 7.796 7.796 8.210 -0.414 17835 469 1 2 . 1 1 12 12 LYS N N 9 121.690 121.690 122.450 -0.760 17835 470 1 2 . 1 1 12 12 LYS HA H 9 4.044 4.044 4.039 0.005 17835 471 1 2 . 1 1 12 12 LYS C C 9 180.048 180.048 179.221 0.827 17835 472 1 2 . 1 1 12 12 LYS CA C 9 60.002 60.002 59.595 0.407 17835 473 1 2 . 1 1 12 12 LYS CB C 9 32.839 32.839 32.406 0.433 17835 474 1 2 . 1 1 12 12 LYS H H 9 7.754 7.754 8.182 -0.428 17835 475 1 2 . 1 1 13 13 MET N N 10 119.794 119.794 118.808 0.986 17835 476 1 2 . 1 1 13 13 MET HA H 10 4.420 4.420 4.154 0.266 17835 477 1 2 . 1 1 13 13 MET C C 10 178.151 178.151 178.447 -0.296 17835 478 1 2 . 1 1 13 13 MET CA C 10 57.095 57.095 58.171 -1.076 17835 479 1 2 . 1 1 13 13 MET CB C 10 31.599 31.599 31.995 -0.396 17835 480 1 2 . 1 1 13 13 MET H H 10 8.451 8.451 8.390 0.061 17835 481 1 2 . 1 1 14 14 LEU N N 11 122.035 122.035 122.079 -0.044 17835 482 1 2 . 1 1 14 14 LEU HA H 11 4.207 4.207 4.127 0.080 17835 483 1 2 . 1 1 14 14 LEU C C 11 178.526 178.526 178.157 0.369 17835 484 1 2 . 1 1 14 14 LEU CA C 11 58.178 58.178 59.076 -0.898 17835 485 1 2 . 1 1 14 14 LEU CB C 11 42.148 42.148 41.735 0.413 17835 486 1 2 . 1 1 14 14 LEU H H 11 9.301 9.301 8.794 0.507 17835 487 1 2 . 1 1 15 15 ARG N N 12 118.150 118.150 119.337 -1.187 17835 488 1 2 . 1 1 15 15 ARG HA H 12 3.839 3.839 3.863 -0.024 17835 489 1 2 . 1 1 15 15 ARG C C 12 177.951 177.951 178.404 -0.453 17835 490 1 2 . 1 1 15 15 ARG CA C 12 60.500 60.500 59.257 1.243 17835 491 1 2 . 1 1 15 15 ARG CB C 12 29.966 29.966 29.782 0.184 17835 492 1 2 . 1 1 15 15 ARG H H 12 8.248 8.248 8.494 -0.246 17835 493 1 2 . 1 1 16 16 ALA N N 13 120.291 120.291 121.895 -1.604 17835 494 1 2 . 1 1 16 16 ALA HA H 13 4.150 4.150 4.039 0.111 17835 495 1 2 . 1 1 16 16 ALA C C 13 181.072 181.072 179.612 1.460 17835 496 1 2 . 1 1 16 16 ALA CA C 13 55.371 55.371 55.023 0.348 17835 497 1 2 . 1 1 16 16 ALA CB C 13 17.845 17.845 18.527 -0.682 17835 498 1 2 . 1 1 16 16 ALA H H 13 7.587 7.587 8.157 -0.570 17835 499 1 2 . 1 1 17 17 VAL N N 14 119.183 119.183 119.145 0.038 17835 500 1 2 . 1 1 17 17 VAL HA H 14 3.858 3.858 3.283 0.575 17835 501 1 2 . 1 1 17 17 VAL C C 14 178.531 178.531 177.893 0.638 17835 502 1 2 . 1 1 17 17 VAL CA C 14 65.552 65.552 66.856 -1.304 17835 503 1 2 . 1 1 17 17 VAL CB C 14 32.190 32.190 31.608 0.582 17835 504 1 2 . 1 1 17 17 VAL H H 14 8.324 8.324 8.030 0.294 17835 505 1 2 . 1 1 18 18 LEU N N 15 120.498 120.498 118.813 1.685 17835 506 1 2 . 1 1 18 18 LEU HA H 15 3.985 3.985 3.946 0.039 17835 507 1 2 . 1 1 18 18 LEU C C 15 179.935 179.935 178.973 0.962 17835 508 1 2 . 1 1 18 18 LEU CA C 15 58.474 58.474 57.666 0.808 17835 509 1 2 . 1 1 18 18 LEU CB C 15 41.885 41.885 41.464 0.421 17835 510 1 2 . 1 1 18 18 LEU H H 15 8.388 8.388 8.054 0.334 17835 511 1 2 . 1 1 19 19 GLN N N 16 117.835 117.835 117.300 0.535 17835 512 1 2 . 1 1 19 19 GLN HA H 16 3.981 3.981 4.060 -0.079 17835 513 1 2 . 1 1 19 19 GLN C C 16 177.304 177.304 178.952 -1.648 17835 514 1 2 . 1 1 19 19 GLN CA C 16 58.668 58.668 58.286 0.382 17835 515 1 2 . 1 1 19 19 GLN CB C 16 28.274 28.274 28.410 -0.136 17835 516 1 2 . 1 1 19 19 GLN H H 16 8.689 8.689 8.260 0.429 17835 517 1 2 . 1 1 20 20 SER N N 17 111.043 111.043 116.053 -5.010 17835 518 1 2 . 1 1 20 20 SER HA H 17 4.386 4.386 4.327 0.059 17835 519 1 2 . 1 1 20 20 SER C C 17 173.630 173.630 176.459 -2.829 17835 520 1 2 . 1 1 20 20 SER CA C 17 59.252 59.252 61.044 -1.792 17835 521 1 2 . 1 1 20 20 SER CB C 17 63.600 63.600 63.645 -0.045 17835 522 1 2 . 1 1 20 20 SER H H 17 7.461 7.461 8.011 -0.550 17835 523 1 2 . 1 1 21 21 HIS N N 18 121.324 121.324 119.827 1.497 17835 524 1 2 . 1 1 21 21 HIS HA H 18 4.824 4.824 4.809 0.015 17835 525 1 2 . 1 1 21 21 HIS C C 18 174.835 174.835 175.223 -0.388 17835 526 1 2 . 1 1 21 21 HIS CA C 18 54.386 54.386 52.712 1.673 17835 527 1 2 . 1 1 21 21 HIS CB C 18 28.657 28.657 27.238 1.419 17835 528 1 2 . 1 1 21 21 HIS H H 18 7.692 7.692 8.225 -0.533 17835 529 1 2 . 1 1 22 22 LYS N N 19 123.925 123.925 121.013 2.912 17835 530 1 2 . 1 1 22 22 LYS HA H 19 4.161 4.161 4.141 0.020 17835 531 1 2 . 1 1 22 22 LYS C C 19 177.562 177.562 177.555 0.007 17835 532 1 2 . 1 1 22 22 LYS CA C 19 59.316 59.316 58.449 0.867 17835 533 1 2 . 1 1 22 22 LYS CB C 19 32.202 32.202 31.921 0.281 17835 534 1 2 . 1 1 22 22 LYS H H 19 8.809 8.809 7.626 1.183 17835 535 1 2 . 1 1 23 23 ASN N N 20 115.473 115.473 116.788 -1.315 17835 536 1 2 . 1 1 23 23 ASN HA H 20 5.073 5.073 4.670 0.403 17835 537 1 2 . 1 1 23 23 ASN C C 20 174.783 174.783 175.593 -0.810 17835 538 1 2 . 1 1 23 23 ASN CA C 20 52.835 52.835 53.703 -0.868 17835 539 1 2 . 1 1 23 23 ASN CB C 20 38.540 38.540 39.010 -0.470 17835 540 1 2 . 1 1 23 23 ASN H H 20 8.784 8.784 8.275 0.509 17835 541 1 2 . 1 1 24 24 GLY N N 21 107.402 107.402 107.782 -0.380 17835 542 1 2 . 1 1 24 24 GLY C C 21 172.572 172.572 172.502 0.070 17835 543 1 2 . 1 1 24 24 GLY CA C 21 44.739 44.739 44.416 0.323 17835 544 1 2 . 1 1 24 24 GLY H H 21 7.743 7.743 7.867 -0.124 17835 545 1 2 . 1 1 25 25 ILE N N 22 117.796 117.796 116.099 1.697 17835 546 1 2 . 1 1 25 25 ILE HA H 22 4.272 4.272 4.674 -0.402 17835 547 1 2 . 1 1 25 25 ILE C C 22 175.452 175.452 174.465 0.987 17835 548 1 2 . 1 1 25 25 ILE CA C 22 59.468 59.468 59.044 0.424 17835 549 1 2 . 1 1 25 25 ILE CB C 22 41.833 41.833 40.333 1.500 17835 550 1 2 . 1 1 25 25 ILE H H 22 8.509 8.509 7.981 0.528 17835 551 1 2 . 1 1 26 26 VAL N N 23 124.597 124.597 121.358 3.239 17835 552 1 2 . 1 1 26 26 VAL HA H 23 4.585 4.585 4.483 0.102 17835 553 1 2 . 1 1 26 26 VAL C C 23 177.566 177.566 177.476 0.090 17835 554 1 2 . 1 1 26 26 VAL CA C 23 62.227 62.227 62.057 0.170 17835 555 1 2 . 1 1 26 26 VAL CB C 23 31.945 31.945 32.337 -0.392 17835 556 1 2 . 1 1 26 26 VAL H H 23 8.524 8.524 8.098 0.426 17835 557 1 2 . 1 1 27 27 LEU N N 24 124.858 124.858 120.966 3.892 17835 558 1 2 . 1 1 27 27 LEU HA H 24 4.011 4.011 4.267 -0.256 17835 559 1 2 . 1 1 27 27 LEU C C 24 175.569 175.569 176.672 -1.103 17835 560 1 2 . 1 1 27 27 LEU CA C 24 60.394 60.394 58.737 1.657 17835 561 1 2 . 1 1 27 27 LEU CB C 24 39.402 39.402 39.102 0.300 17835 562 1 2 . 1 1 27 27 LEU H H 24 8.816 8.816 8.636 0.180 17835 563 1 2 . 1 1 28 28 PRO HA H 25 4.401 4.401 4.275 0.126 17835 564 1 2 . 1 1 28 28 PRO C C 25 177.600 177.600 179.105 -1.505 17835 565 1 2 . 1 1 28 28 PRO CA C 25 65.549 65.549 65.626 -0.077 17835 566 1 2 . 1 1 28 28 PRO CB C 25 31.458 31.458 30.896 0.562 17835 567 1 2 . 1 1 29 29 ARG N N 26 115.136 115.136 119.239 -4.103 17835 568 1 2 . 1 1 29 29 ARG HA H 26 4.511 4.511 4.116 0.395 17835 569 1 2 . 1 1 29 29 ARG C C 26 177.152 177.152 178.222 -1.070 17835 570 1 2 . 1 1 29 29 ARG CA C 26 55.853 55.853 59.251 -3.398 17835 571 1 2 . 1 1 29 29 ARG CB C 26 30.981 30.981 29.939 1.042 17835 572 1 2 . 1 1 29 29 ARG H H 26 7.869 7.869 7.819 0.050 17835 573 1 2 . 1 1 30 30 LEU N N 27 122.984 122.984 121.753 1.231 17835 574 1 2 . 1 1 30 30 LEU HA H 27 3.842 3.842 3.981 -0.139 17835 575 1 2 . 1 1 30 30 LEU C C 27 177.872 177.872 178.518 -0.646 17835 576 1 2 . 1 1 30 30 LEU CA C 27 59.458 59.458 58.685 0.772 17835 577 1 2 . 1 1 30 30 LEU CB C 27 42.326 42.326 41.362 0.964 17835 578 1 2 . 1 1 30 30 LEU H H 27 7.870 7.870 8.632 -0.762 17835 579 1 2 . 1 1 31 31 GLN N N 28 117.382 117.382 117.426 -0.044 17835 580 1 2 . 1 1 31 31 GLN HA H 28 4.689 4.689 4.076 0.613 17835 581 1 2 . 1 1 31 31 GLN C C 28 178.888 178.888 178.827 0.061 17835 582 1 2 . 1 1 31 31 GLN CA C 28 60.243 60.243 59.593 0.650 17835 583 1 2 . 1 1 31 31 GLN CB C 28 27.811 27.811 28.489 -0.678 17835 584 1 2 . 1 1 31 31 GLN H H 28 9.217 9.217 7.898 1.319 17835 585 1 2 . 1 1 32 32 GLY N N 29 105.066 105.066 108.149 -3.083 17835 586 1 2 . 1 1 32 32 GLY C C 29 177.579 177.579 176.551 1.028 17835 587 1 2 . 1 1 32 32 GLY CA C 29 47.254 47.254 47.359 -0.105 17835 588 1 2 . 1 1 32 32 GLY H H 29 8.680 8.680 8.453 0.227 17835 589 1 2 . 1 1 33 33 GLU N N 30 121.593 121.593 122.825 -1.232 17835 590 1 2 . 1 1 33 33 GLU HA H 30 4.274 4.274 4.213 0.061 17835 591 1 2 . 1 1 33 33 GLU C C 30 179.316 179.316 178.853 0.463 17835 592 1 2 . 1 1 33 33 GLU CA C 30 59.068 59.068 58.439 0.629 17835 593 1 2 . 1 1 33 33 GLU CB C 30 29.077 29.077 29.347 -0.270 17835 594 1 2 . 1 1 33 33 GLU H H 30 8.063 8.063 8.429 -0.366 17835 595 1 2 . 1 1 34 34 TYR N N 31 123.143 123.143 122.151 0.992 17835 596 1 2 . 1 1 34 34 TYR HA H 31 4.083 4.083 4.053 0.030 17835 597 1 2 . 1 1 34 34 TYR C C 31 178.379 178.379 177.157 1.222 17835 598 1 2 . 1 1 34 34 TYR CA C 31 62.406 62.406 61.785 0.620 17835 599 1 2 . 1 1 34 34 TYR CB C 31 39.405 39.405 38.407 0.998 17835 600 1 2 . 1 1 34 34 TYR H H 31 9.063 9.063 8.777 0.286 17835 601 1 2 . 1 1 35 35 ARG N N 32 123.458 123.458 119.759 3.699 17835 602 1 2 . 1 1 35 35 ARG HA H 32 4.281 4.281 3.944 0.337 17835 603 1 2 . 1 1 35 35 ARG C C 32 180.186 180.186 178.966 1.220 17835 604 1 2 . 1 1 35 35 ARG CA C 32 58.908 58.908 59.189 -0.281 17835 605 1 2 . 1 1 35 35 ARG CB C 32 29.708 29.708 29.947 -0.239 17835 606 1 2 . 1 1 35 35 ARG H H 32 9.321 9.321 8.680 0.641 17835 607 1 2 . 1 1 36 36 SER N N 33 116.071 116.071 116.117 -0.046 17835 608 1 2 . 1 1 36 36 SER HA H 33 4.048 4.048 4.074 -0.026 17835 609 1 2 . 1 1 36 36 SER C C 33 175.063 175.063 175.991 -0.928 17835 610 1 2 . 1 1 36 36 SER CA C 33 61.856 61.856 61.192 0.664 17835 611 1 2 . 1 1 36 36 SER CB C 33 62.779 62.779 63.056 -0.277 17835 612 1 2 . 1 1 36 36 SER H H 33 8.078 8.078 7.901 0.177 17835 613 1 2 . 1 1 37 37 LEU N N 34 118.571 118.571 122.109 -3.538 17835 614 1 2 . 1 1 37 37 LEU HA H 34 4.342 4.342 4.176 0.166 17835 615 1 2 . 1 1 37 37 LEU C C 34 178.400 178.400 178.426 -0.026 17835 616 1 2 . 1 1 37 37 LEU CA C 34 57.073 57.073 57.283 -0.210 17835 617 1 2 . 1 1 37 37 LEU CB C 34 43.132 43.132 42.415 0.717 17835 618 1 2 . 1 1 37 37 LEU H H 34 7.167 7.167 7.596 -0.429 17835 619 1 2 . 1 1 38 38 THR N N 35 106.425 106.425 108.533 -2.108 17835 620 1 2 . 1 1 38 38 THR HA H 35 4.163 4.163 4.029 0.134 17835 621 1 2 . 1 1 38 38 THR C C 35 176.259 176.259 175.831 0.428 17835 622 1 2 . 1 1 38 38 THR CA C 35 62.637 62.637 62.501 0.136 17835 623 1 2 . 1 1 38 38 THR CB C 35 71.659 71.659 69.805 1.854 17835 624 1 2 . 1 1 38 38 THR H H 35 8.168 8.168 7.920 0.248 17835 625 1 2 . 1 1 39 39 GLY N N 36 112.162 112.162 111.605 0.557 17835 626 1 2 . 1 1 39 39 GLY C C 36 172.464 172.464 172.955 -0.491 17835 627 1 2 . 1 1 39 39 GLY CA C 36 45.225 45.225 45.185 0.040 17835 628 1 2 . 1 1 39 39 GLY H H 36 8.759 8.759 8.106 0.653 17835 629 1 2 . 1 1 40 40 ASP N N 37 121.106 121.106 118.355 2.751 17835 630 1 2 . 1 1 40 40 ASP HA H 37 4.733 4.733 4.766 -0.033 17835 631 1 2 . 1 1 40 40 ASP C C 37 173.861 173.861 173.795 0.066 17835 632 1 2 . 1 1 40 40 ASP CA C 37 52.159 52.159 51.934 0.225 17835 633 1 2 . 1 1 40 40 ASP CB C 37 44.573 44.573 43.674 0.899 17835 634 1 2 . 1 1 40 40 ASP H H 37 8.414 8.414 7.580 0.834 17835 635 1 2 . 1 1 41 41 TRP N N 38 115.206 115.206 118.715 -3.509 17835 636 1 2 . 1 1 41 41 TRP HA H 38 5.107 5.107 4.954 0.153 17835 637 1 2 . 1 1 41 41 TRP C C 38 177.125 177.125 177.624 -0.499 17835 638 1 2 . 1 1 41 41 TRP CA C 38 54.889 54.889 55.777 -0.888 17835 639 1 2 . 1 1 41 41 TRP CB C 38 31.592 31.592 31.346 0.246 17835 640 1 2 . 1 1 41 41 TRP H H 38 8.016 8.016 8.356 -0.340 17835 641 1 2 . 1 1 42 42 ILE N N 39 123.723 123.723 123.396 0.327 17835 642 1 2 . 1 1 42 42 ILE HA H 39 3.512 3.512 3.643 -0.131 17835 643 1 2 . 1 1 42 42 ILE C C 39 177.199 177.199 176.140 1.059 17835 644 1 2 . 1 1 42 42 ILE CA C 39 60.467 60.467 61.262 -0.795 17835 645 1 2 . 1 1 42 42 ILE CB C 39 38.133 38.133 37.990 0.142 17835 646 1 2 . 1 1 42 42 ILE H H 39 10.079 10.079 9.114 0.965 17835 647 1 2 . 1 1 43 43 PRO HA H 40 4.600 4.600 4.681 -0.081 17835 648 1 2 . 1 1 43 43 PRO C C 40 174.997 174.997 176.746 -1.749 17835 649 1 2 . 1 1 43 43 PRO CA C 40 62.511 62.511 62.391 0.120 17835 650 1 2 . 1 1 43 43 PRO CB C 40 27.857 27.857 29.306 -1.449 17835 651 1 2 . 1 1 44 44 PHE N N 41 118.808 118.808 120.296 -1.488 17835 652 1 2 . 1 1 44 44 PHE HA H 41 3.737 3.737 4.152 -0.415 17835 653 1 2 . 1 1 44 44 PHE C C 41 175.891 175.891 176.729 -0.838 17835 654 1 2 . 1 1 44 44 PHE CA C 41 60.911 60.911 61.780 -0.869 17835 655 1 2 . 1 1 44 44 PHE CB C 41 38.412 38.412 37.612 0.800 17835 656 1 2 . 1 1 44 44 PHE H H 41 7.647 7.647 7.894 -0.247 17835 657 1 2 . 1 1 45 45 LYS N N 42 123.543 123.543 119.870 3.673 17835 658 1 2 . 1 1 45 45 LYS HA H 42 4.763 4.763 4.116 0.647 17835 659 1 2 . 1 1 45 45 LYS C C 42 181.828 181.828 178.600 3.228 17835 660 1 2 . 1 1 45 45 LYS CA C 42 58.959 58.959 58.661 0.298 17835 661 1 2 . 1 1 45 45 LYS CB C 42 31.599 31.599 31.586 0.013 17835 662 1 2 . 1 1 45 45 LYS H H 42 7.387 7.387 7.293 0.094 17835 663 1 2 . 1 1 46 46 GLN N N 43 123.171 123.171 118.221 4.950 17835 664 1 2 . 1 1 46 46 GLN HA H 43 3.896 3.896 3.996 -0.100 17835 665 1 2 . 1 1 46 46 GLN C C 43 178.167 178.167 177.887 0.280 17835 666 1 2 . 1 1 46 46 GLN CA C 43 59.066 59.066 58.369 0.697 17835 667 1 2 . 1 1 46 46 GLN CB C 43 27.702 27.702 28.186 -0.484 17835 668 1 2 . 1 1 46 46 GLN H H 43 8.567 8.567 7.845 0.722 17835 669 1 2 . 1 1 47 47 LEU N N 44 116.472 116.472 118.473 -2.001 17835 670 1 2 . 1 1 47 47 LEU HA H 44 4.255 4.255 4.159 0.096 17835 671 1 2 . 1 1 47 47 LEU C C 44 176.103 176.103 178.096 -1.993 17835 672 1 2 . 1 1 47 47 LEU CA C 44 55.308 55.308 56.119 -0.811 17835 673 1 2 . 1 1 47 47 LEU CB C 44 41.374 41.374 42.797 -1.423 17835 674 1 2 . 1 1 47 47 LEU H H 44 7.544 7.544 8.221 -0.677 17835 675 1 2 . 1 1 48 48 GLY N N 45 104.932 104.932 103.644 1.288 17835 676 1 2 . 1 1 48 48 GLY C C 45 173.844 173.844 174.404 -0.560 17835 677 1 2 . 1 1 48 48 GLY CA C 45 44.826 44.826 44.389 0.437 17835 678 1 2 . 1 1 48 48 GLY H H 45 7.741 7.741 7.855 -0.114 17835 679 1 2 . 1 1 49 49 TYR N N 46 119.946 119.946 121.058 -1.112 17835 680 1 2 . 1 1 49 49 TYR HA H 46 4.839 4.839 4.868 -0.029 17835 681 1 2 . 1 1 49 49 TYR C C 46 174.575 174.575 174.960 -0.385 17835 682 1 2 . 1 1 49 49 TYR CA C 46 56.349 56.349 55.907 0.442 17835 683 1 2 . 1 1 49 49 TYR CB C 46 41.464 41.464 38.395 3.069 17835 684 1 2 . 1 1 49 49 TYR H H 46 8.332 8.332 7.961 0.371 17835 685 1 2 . 1 1 50 50 PRO HA H 47 4.556 4.556 4.482 0.074 17835 686 1 2 . 1 1 50 50 PRO C C 47 177.125 177.125 176.602 0.523 17835 687 1 2 . 1 1 50 50 PRO CA C 47 64.115 64.115 64.633 -0.518 17835 688 1 2 . 1 1 50 50 PRO CB C 47 32.152 32.152 32.006 0.146 17835 689 1 2 . 1 1 51 51 THR N N 48 105.643 105.643 106.662 -1.019 17835 690 1 2 . 1 1 51 51 THR HA H 48 4.129 4.129 4.417 -0.288 17835 691 1 2 . 1 1 51 51 THR C C 48 173.270 173.270 174.956 -1.686 17835 692 1 2 . 1 1 51 51 THR CA C 48 58.738 58.738 59.604 -0.866 17835 693 1 2 . 1 1 51 51 THR CB C 48 73.254 73.254 72.422 0.832 17835 694 1 2 . 1 1 51 51 THR H H 48 6.939 6.939 7.495 -0.556 17835 695 1 2 . 1 1 52 52 LEU N N 49 121.743 121.743 122.932 -1.189 17835 696 1 2 . 1 1 52 52 LEU HA H 49 3.325 3.325 3.871 -0.546 17835 697 1 2 . 1 1 52 52 LEU C C 49 178.195 178.195 178.783 -0.588 17835 698 1 2 . 1 1 52 52 LEU CA C 49 57.551 57.551 57.480 0.071 17835 699 1 2 . 1 1 52 52 LEU CB C 49 40.517 40.517 40.340 0.177 17835 700 1 2 . 1 1 52 52 LEU H H 49 7.849 7.849 8.245 -0.396 17835 701 1 2 . 1 1 53 53 GLU N N 50 118.706 118.706 119.120 -0.414 17835 702 1 2 . 1 1 53 53 GLU HA H 50 3.411 3.411 3.886 -0.475 17835 703 1 2 . 1 1 53 53 GLU C C 50 176.853 176.853 178.492 -1.639 17835 704 1 2 . 1 1 53 53 GLU CA C 50 60.720 60.720 59.439 1.281 17835 705 1 2 . 1 1 53 53 GLU CB C 50 28.696 28.696 28.761 -0.065 17835 706 1 2 . 1 1 53 53 GLU H H 50 8.981 8.981 8.746 0.235 17835 707 1 2 . 1 1 54 54 ALA N N 51 119.673 119.673 122.646 -2.973 17835 708 1 2 . 1 1 54 54 ALA HA H 51 3.885 3.885 4.019 -0.134 17835 709 1 2 . 1 1 54 54 ALA C C 51 180.232 180.232 179.409 0.823 17835 710 1 2 . 1 1 54 54 ALA CA C 51 55.127 55.127 55.047 0.080 17835 711 1 2 . 1 1 54 54 ALA CB C 51 18.345 18.345 18.471 -0.126 17835 712 1 2 . 1 1 54 54 ALA H H 51 8.001 8.001 7.834 0.167 17835 713 1 2 . 1 1 55 55 TYR N N 52 117.474 117.474 120.314 -2.840 17835 714 1 2 . 1 1 55 55 TYR HA H 52 2.898 2.898 3.262 -0.364 17835 715 1 2 . 1 1 55 55 TYR C C 52 178.563 178.563 177.422 1.141 17835 716 1 2 . 1 1 55 55 TYR CA C 52 59.876 59.876 61.097 -1.221 17835 717 1 2 . 1 1 55 55 TYR CB C 52 37.365 37.365 38.231 -0.866 17835 718 1 2 . 1 1 55 55 TYR H H 52 7.218 7.218 8.011 -0.793 17835 719 1 2 . 1 1 56 56 LEU N N 53 121.106 121.106 118.040 3.066 17835 720 1 2 . 1 1 56 56 LEU HA H 53 3.221 3.221 3.606 -0.385 17835 721 1 2 . 1 1 56 56 LEU C C 53 179.706 179.706 179.255 0.451 17835 722 1 2 . 1 1 56 56 LEU CA C 53 57.334 57.334 57.517 -0.183 17835 723 1 2 . 1 1 56 56 LEU CB C 53 40.788 40.788 41.591 -0.803 17835 724 1 2 . 1 1 56 56 LEU H H 53 8.440 8.440 8.159 0.281 17835 725 1 2 . 1 1 57 57 ARG N N 54 116.303 116.303 119.974 -3.671 17835 726 1 2 . 1 1 57 57 ARG HA H 54 3.722 3.722 3.997 -0.275 17835 727 1 2 . 1 1 57 57 ARG C C 54 176.071 176.071 177.775 -1.704 17835 728 1 2 . 1 1 57 57 ARG CA C 54 58.463 58.463 58.640 -0.177 17835 729 1 2 . 1 1 57 57 ARG CB C 54 29.735 29.735 29.909 -0.174 17835 730 1 2 . 1 1 57 57 ARG H H 54 7.998 7.998 8.590 -0.592 17835 731 1 2 . 1 1 58 58 SER N N 55 115.365 115.365 112.854 2.511 17835 732 1 2 . 1 1 58 58 SER HA H 55 4.357 4.357 4.393 -0.036 17835 733 1 2 . 1 1 58 58 SER C C 55 173.970 173.970 173.915 0.055 17835 734 1 2 . 1 1 58 58 SER CA C 55 59.762 59.762 59.991 -0.229 17835 735 1 2 . 1 1 58 58 SER CB C 55 63.886 63.886 63.350 0.536 17835 736 1 2 . 1 1 58 58 SER H H 55 7.491 7.491 7.522 -0.031 17835 737 1 2 . 1 1 59 59 VAL N N 56 113.059 113.059 120.059 -7.000 17835 738 1 2 . 1 1 59 59 VAL HA H 56 5.090 5.090 4.528 0.562 17835 739 1 2 . 1 1 59 59 VAL C C 56 174.276 174.276 173.794 0.482 17835 740 1 2 . 1 1 59 59 VAL CA C 56 58.444 58.444 58.773 -0.329 17835 741 1 2 . 1 1 59 59 VAL CB C 56 31.559 31.559 32.684 -1.125 17835 742 1 2 . 1 1 59 59 VAL H H 56 6.729 6.729 7.006 -0.277 17835 743 1 2 . 1 1 60 60 PRO HA H 57 4.902 4.902 4.696 0.206 17835 744 1 2 . 1 1 60 60 PRO C C 57 177.563 177.563 177.183 0.380 17835 745 1 2 . 1 1 60 60 PRO CA C 57 64.541 64.541 64.604 -0.063 17835 746 1 2 . 1 1 60 60 PRO CB C 57 31.768 31.768 31.714 0.054 17835 747 1 2 . 1 1 61 61 ALA N N 58 120.004 120.004 119.984 0.020 17835 748 1 2 . 1 1 61 61 ALA HA H 58 4.327 4.327 4.281 0.046 17835 749 1 2 . 1 1 61 61 ALA C C 58 177.191 177.191 177.895 -0.704 17835 750 1 2 . 1 1 61 61 ALA CA C 58 52.795 52.795 53.382 -0.587 17835 751 1 2 . 1 1 61 61 ALA CB C 58 18.427 18.427 19.406 -0.979 17835 752 1 2 . 1 1 61 61 ALA H H 58 8.397 8.397 8.221 0.176 17835 753 1 2 . 1 1 62 62 VAL N N 59 116.635 116.635 113.648 2.987 17835 754 1 2 . 1 1 62 62 VAL HA H 59 4.032 4.032 4.306 -0.274 17835 755 1 2 . 1 1 62 62 VAL C C 59 174.238 174.238 175.073 -0.835 17835 756 1 2 . 1 1 62 62 VAL CA C 59 63.741 63.741 62.902 0.839 17835 757 1 2 . 1 1 62 62 VAL CB C 59 34.115 34.115 34.867 -0.752 17835 758 1 2 . 1 1 62 62 VAL H H 59 8.080 8.080 7.632 0.448 17835 759 1 2 . 1 1 63 63 VAL N N 60 117.153 117.153 118.097 -0.944 17835 760 1 2 . 1 1 63 63 VAL HA H 60 4.911 4.911 4.634 0.277 17835 761 1 2 . 1 1 63 63 VAL C C 60 172.258 172.258 173.503 -1.245 17835 762 1 2 . 1 1 63 63 VAL CA C 60 59.006 59.006 60.009 -1.003 17835 763 1 2 . 1 1 63 63 VAL CB C 60 35.461 35.461 36.427 -0.966 17835 764 1 2 . 1 1 63 63 VAL H H 60 7.791 7.791 8.098 -0.307 17835 765 1 2 . 1 1 64 64 ARG N N 61 129.658 129.658 121.649 8.009 17835 766 1 2 . 1 1 64 64 ARG HA H 61 4.727 4.727 4.656 0.071 17835 767 1 2 . 1 1 64 64 ARG C C 61 174.437 174.437 173.515 0.922 17835 768 1 2 . 1 1 64 64 ARG CA C 61 54.117 54.117 55.399 -1.282 17835 769 1 2 . 1 1 64 64 ARG CB C 61 32.754 32.754 34.390 -1.636 17835 770 1 2 . 1 1 64 64 ARG H H 61 9.208 9.208 8.924 0.284 17835 771 1 2 . 1 1 65 65 ILE N N 62 125.775 125.775 118.138 7.637 17835 772 1 2 . 1 1 65 65 ILE HA H 62 4.917 4.917 5.363 -0.446 17835 773 1 2 . 1 1 65 65 ILE C C 62 175.842 175.842 174.544 1.298 17835 774 1 2 . 1 1 65 65 ILE CA C 62 59.545 59.545 59.837 -0.292 17835 775 1 2 . 1 1 65 65 ILE CB C 62 39.645 39.645 42.440 -2.795 17835 776 1 2 . 1 1 65 65 ILE H H 62 8.736 8.736 8.303 0.433 17835 777 1 2 . 1 1 66 66 GLU N N 63 127.114 127.114 122.955 4.159 17835 778 1 2 . 1 1 66 66 GLU HA H 63 4.677 4.677 4.726 -0.049 17835 779 1 2 . 1 1 66 66 GLU C C 63 174.409 174.409 175.366 -0.957 17835 780 1 2 . 1 1 66 66 GLU CA C 63 54.791 54.791 55.218 -0.427 17835 781 1 2 . 1 1 66 66 GLU CB C 63 33.078 33.078 32.307 0.771 17835 782 1 2 . 1 1 66 66 GLU H H 63 9.197 9.197 9.084 0.113 17835 783 1 2 . 1 1 67 67 ALA N N 64 127.913 127.913 129.761 -1.848 17835 784 1 2 . 1 1 67 67 ALA HA H 64 5.026 5.026 4.665 0.360 17835 785 1 2 . 1 1 67 67 ALA C C 64 177.717 177.717 177.093 0.624 17835 786 1 2 . 1 1 67 67 ALA CA C 64 51.070 51.070 51.809 -0.739 17835 787 1 2 . 1 1 67 67 ALA CB C 64 19.550 19.550 19.172 0.378 17835 788 1 2 . 1 1 67 67 ALA H H 64 8.779 8.779 8.640 0.139 17835 789 1 2 . 1 1 68 68 SER N N 65 119.364 119.364 119.458 -0.094 17835 790 1 2 . 1 1 68 68 SER HA H 65 4.665 4.665 4.543 0.122 17835 791 1 2 . 1 1 68 68 SER C C 65 176.518 176.518 176.683 -0.165 17835 792 1 2 . 1 1 68 68 SER CA C 65 57.096 57.096 56.955 0.142 17835 793 1 2 . 1 1 68 68 SER CB C 65 65.234 65.234 64.102 1.132 17835 794 1 2 . 1 1 68 68 SER H H 65 8.951 8.951 8.640 0.311 17835 795 1 2 . 1 1 69 69 ARG N N 66 123.143 123.143 126.581 -3.438 17835 796 1 2 . 1 1 69 69 ARG HA H 66 4.153 4.153 4.175 -0.022 17835 797 1 2 . 1 1 69 69 ARG C C 66 177.356 177.356 176.503 0.853 17835 798 1 2 . 1 1 69 69 ARG CA C 66 58.973 58.973 58.430 0.543 17835 799 1 2 . 1 1 69 69 ARG CB C 66 29.659 29.659 29.105 0.554 17835 800 1 2 . 1 1 69 69 ARG H H 66 9.075 9.075 8.971 0.104 17835 801 1 2 . 1 1 70 70 SER N N 67 112.081 112.081 114.952 -2.871 17835 802 1 2 . 1 1 70 70 SER HA H 67 4.416 4.416 4.387 0.029 17835 803 1 2 . 1 1 70 70 SER C C 67 175.146 175.146 175.350 -0.204 17835 804 1 2 . 1 1 70 70 SER CA C 67 58.413 58.413 58.516 -0.103 17835 805 1 2 . 1 1 70 70 SER CB C 67 63.477 63.477 63.712 -0.235 17835 806 1 2 . 1 1 70 70 SER H H 67 8.083 8.083 7.721 0.362 17835 807 1 2 . 1 1 71 71 GLY N N 68 110.519 110.519 109.111 1.408 17835 808 1 2 . 1 1 71 71 GLY C C 68 174.116 174.116 174.056 0.060 17835 809 1 2 . 1 1 71 71 GLY CA C 68 45.114 45.114 45.151 -0.037 17835 810 1 2 . 1 1 71 71 GLY H H 68 7.974 7.974 7.956 0.018 17835 811 1 2 . 1 1 72 72 GLU N N 69 120.663 120.663 119.884 0.779 17835 812 1 2 . 1 1 72 72 GLU HA H 69 4.289 4.289 4.505 -0.216 17835 813 1 2 . 1 1 72 72 GLU C C 69 175.352 175.352 174.699 0.653 17835 814 1 2 . 1 1 72 72 GLU CA C 69 56.082 56.082 55.156 0.926 17835 815 1 2 . 1 1 72 72 GLU CB C 69 30.517 30.517 30.806 -0.289 17835 816 1 2 . 1 1 72 72 GLU H H 69 7.630 7.630 7.874 -0.244 17835 817 1 2 . 1 1 73 73 ILE N N 70 125.775 125.775 121.236 4.539 17835 818 1 2 . 1 1 73 73 ILE HA H 70 4.367 4.367 4.896 -0.529 17835 819 1 2 . 1 1 73 73 ILE C C 70 174.613 174.613 173.747 0.866 17835 820 1 2 . 1 1 73 73 ILE CA C 70 60.876 60.876 59.536 1.340 17835 821 1 2 . 1 1 73 73 ILE CB C 70 37.465 37.465 41.403 -3.938 17835 822 1 2 . 1 1 73 73 ILE H H 70 8.753 8.753 8.369 0.384 17835 823 1 2 . 1 1 74 74 VAL N N 71 128.300 128.300 127.525 0.775 17835 824 1 2 . 1 1 74 74 VAL HA H 71 4.153 4.153 4.400 -0.247 17835 825 1 2 . 1 1 74 74 VAL C C 71 173.544 173.544 174.680 -1.136 17835 826 1 2 . 1 1 74 74 VAL CA C 71 61.736 61.736 60.644 1.092 17835 827 1 2 . 1 1 74 74 VAL CB C 71 33.763 33.763 33.839 -0.076 17835 828 1 2 . 1 1 74 74 VAL H H 71 8.724 8.724 8.773 -0.049 17835 829 1 2 . 1 1 75 75 CYS N N 72 122.823 122.823 124.287 -1.464 17835 830 1 2 . 1 1 75 75 CYS HA H 72 4.948 4.948 5.049 -0.101 17835 831 1 2 . 1 1 75 75 CYS C C 72 173.200 173.200 173.690 -0.490 17835 832 1 2 . 1 1 75 75 CYS CA C 72 57.176 57.176 57.678 -0.502 17835 833 1 2 . 1 1 75 75 CYS CB C 72 29.712 29.712 29.780 -0.068 17835 834 1 2 . 1 1 75 75 CYS H H 72 8.200 8.200 8.708 -0.508 17835 835 1 2 . 1 1 76 76 TYR N N 73 119.584 119.584 119.460 0.124 17835 836 1 2 . 1 1 76 76 TYR HA H 73 5.013 5.013 4.781 0.232 17835 837 1 2 . 1 1 76 76 TYR C C 73 175.779 175.779 174.880 0.899 17835 838 1 2 . 1 1 76 76 TYR CA C 73 56.289 56.289 57.008 -0.719 17835 839 1 2 . 1 1 76 76 TYR CB C 73 42.505 42.505 43.150 -0.645 17835 840 1 2 . 1 1 76 76 TYR H H 73 9.265 9.265 9.296 -0.031 17835 841 1 2 . 1 1 77 77 ALA N N 74 122.844 122.844 121.917 0.927 17835 842 1 2 . 1 1 77 77 ALA HA H 74 4.423 4.423 4.608 -0.185 17835 843 1 2 . 1 1 77 77 ALA C C 74 177.907 177.907 175.765 2.142 17835 844 1 2 . 1 1 77 77 ALA CA C 74 52.151 52.151 51.246 0.905 17835 845 1 2 . 1 1 77 77 ALA CB C 74 18.915 18.915 20.976 -2.061 17835 846 1 2 . 1 1 77 77 ALA H H 74 9.145 9.145 8.964 0.181 17835 847 1 2 . 1 1 78 78 VAL N N 75 123.434 123.434 116.528 6.906 17835 848 1 2 . 1 1 78 78 VAL HA H 75 3.826 3.826 4.451 -0.625 17835 849 1 2 . 1 1 78 78 VAL C C 75 174.995 174.995 175.053 -0.058 17835 850 1 2 . 1 1 78 78 VAL CA C 75 63.379 63.379 62.178 1.201 17835 851 1 2 . 1 1 78 78 VAL CB C 75 32.715 32.715 35.064 -2.349 17835 852 1 2 . 1 1 78 78 VAL H H 75 7.894 7.894 8.728 -0.834 17835 853 1 3 . 1 1 5 5 LEU N N 2 124.907 124.907 122.771 2.136 17835 854 1 3 . 1 1 5 5 LEU HA H 2 4.299 4.299 4.449 -0.150 17835 855 1 3 . 1 1 5 5 LEU C C 2 177.892 177.892 178.205 -0.313 17835 856 1 3 . 1 1 5 5 LEU CA C 2 55.749 55.749 54.561 1.188 17835 857 1 3 . 1 1 5 5 LEU CB C 2 42.001 42.001 42.284 -0.283 17835 858 1 3 . 1 1 5 5 LEU H H 2 8.636 8.636 8.562 0.074 17835 859 1 3 . 1 1 6 6 GLU N N 3 122.649 122.649 122.575 0.074 17835 860 1 3 . 1 1 6 6 GLU HA H 3 4.172 4.172 3.980 0.192 17835 861 1 3 . 1 1 6 6 GLU C C 3 177.481 177.481 178.457 -0.976 17835 862 1 3 . 1 1 6 6 GLU CA C 3 58.106 58.106 60.061 -1.955 17835 863 1 3 . 1 1 6 6 GLU CB C 3 28.874 28.874 29.882 -1.008 17835 864 1 3 . 1 1 6 6 GLU H H 3 8.594 8.594 9.025 -0.431 17835 865 1 3 . 1 1 7 7 ALA N N 4 121.929 121.929 121.353 0.576 17835 866 1 3 . 1 1 7 7 ALA HA H 4 3.944 3.944 4.200 -0.256 17835 867 1 3 . 1 1 7 7 ALA C C 4 180.419 180.419 179.299 1.120 17835 868 1 3 . 1 1 7 7 ALA CA C 4 55.686 55.686 55.043 0.643 17835 869 1 3 . 1 1 7 7 ALA CB C 4 18.587 18.587 18.014 0.573 17835 870 1 3 . 1 1 7 7 ALA H H 4 8.744 8.744 8.408 0.336 17835 871 1 3 . 1 1 8 8 ASP N N 5 117.514 117.514 119.719 -2.205 17835 872 1 3 . 1 1 8 8 ASP HA H 5 4.482 4.482 4.512 -0.030 17835 873 1 3 . 1 1 8 8 ASP C C 5 178.010 178.010 178.181 -0.171 17835 874 1 3 . 1 1 8 8 ASP CA C 5 56.603 56.603 56.876 -0.273 17835 875 1 3 . 1 1 8 8 ASP CB C 5 40.353 40.353 40.712 -0.359 17835 876 1 3 . 1 1 8 8 ASP H H 5 8.071 8.071 8.294 -0.223 17835 877 1 3 . 1 1 9 9 LEU N N 6 122.640 122.640 121.317 1.323 17835 878 1 3 . 1 1 9 9 LEU HA H 6 4.165 4.165 4.012 0.153 17835 879 1 3 . 1 1 9 9 LEU C C 6 178.699 178.699 178.542 0.157 17835 880 1 3 . 1 1 9 9 LEU CA C 6 57.986 57.986 58.322 -0.336 17835 881 1 3 . 1 1 9 9 LEU CB C 6 41.675 41.675 42.119 -0.444 17835 882 1 3 . 1 1 9 9 LEU H H 6 7.713 7.713 8.264 -0.551 17835 883 1 3 . 1 1 10 10 VAL N N 7 119.303 119.303 115.445 3.858 17835 884 1 3 . 1 1 10 10 VAL HA H 7 4.025 4.025 3.812 0.213 17835 885 1 3 . 1 1 10 10 VAL C C 7 178.570 178.570 177.504 1.066 17835 886 1 3 . 1 1 10 10 VAL CA C 7 65.683 65.683 66.654 -0.971 17835 887 1 3 . 1 1 10 10 VAL CB C 7 31.841 31.841 31.451 0.390 17835 888 1 3 . 1 1 10 10 VAL H H 7 8.115 8.115 8.263 -0.148 17835 889 1 3 . 1 1 11 11 SER N N 8 113.146 113.146 118.508 -5.362 17835 890 1 3 . 1 1 11 11 SER HA H 8 4.042 4.042 4.243 -0.201 17835 891 1 3 . 1 1 11 11 SER C C 8 176.364 176.364 176.751 -0.387 17835 892 1 3 . 1 1 11 11 SER CA C 8 62.600 62.600 63.019 -0.419 17835 893 1 3 . 1 1 11 11 SER CB C 8 61.596 61.596 63.049 -1.453 17835 894 1 3 . 1 1 11 11 SER H H 8 7.796 7.796 8.009 -0.213 17835 895 1 3 . 1 1 12 12 LYS N N 9 121.690 121.690 121.821 -0.131 17835 896 1 3 . 1 1 12 12 LYS HA H 9 4.044 4.044 3.984 0.060 17835 897 1 3 . 1 1 12 12 LYS C C 9 180.048 180.048 178.834 1.214 17835 898 1 3 . 1 1 12 12 LYS CA C 9 60.002 60.002 59.688 0.314 17835 899 1 3 . 1 1 12 12 LYS CB C 9 32.839 32.839 32.384 0.455 17835 900 1 3 . 1 1 12 12 LYS H H 9 7.754 7.754 8.342 -0.588 17835 901 1 3 . 1 1 13 13 MET N N 10 119.794 119.794 118.911 0.883 17835 902 1 3 . 1 1 13 13 MET HA H 10 4.420 4.420 4.121 0.299 17835 903 1 3 . 1 1 13 13 MET C C 10 178.151 178.151 178.282 -0.131 17835 904 1 3 . 1 1 13 13 MET CA C 10 57.095 57.095 59.116 -2.021 17835 905 1 3 . 1 1 13 13 MET CB C 10 31.599 31.599 32.665 -1.066 17835 906 1 3 . 1 1 13 13 MET H H 10 8.451 8.451 8.387 0.064 17835 907 1 3 . 1 1 14 14 LEU N N 11 122.035 122.035 122.171 -0.136 17835 908 1 3 . 1 1 14 14 LEU HA H 11 4.207 4.207 4.115 0.092 17835 909 1 3 . 1 1 14 14 LEU C C 11 178.526 178.526 177.998 0.528 17835 910 1 3 . 1 1 14 14 LEU CA C 11 58.178 58.178 59.112 -0.934 17835 911 1 3 . 1 1 14 14 LEU CB C 11 42.148 42.148 41.778 0.370 17835 912 1 3 . 1 1 14 14 LEU H H 11 9.301 9.301 8.606 0.695 17835 913 1 3 . 1 1 15 15 ARG N N 12 118.150 118.150 119.347 -1.197 17835 914 1 3 . 1 1 15 15 ARG HA H 12 3.839 3.839 3.866 -0.027 17835 915 1 3 . 1 1 15 15 ARG C C 12 177.951 177.951 178.384 -0.433 17835 916 1 3 . 1 1 15 15 ARG CA C 12 60.500 60.500 59.277 1.223 17835 917 1 3 . 1 1 15 15 ARG CB C 12 29.966 29.966 29.785 0.181 17835 918 1 3 . 1 1 15 15 ARG H H 12 8.248 8.248 8.502 -0.254 17835 919 1 3 . 1 1 16 16 ALA N N 13 120.291 120.291 122.159 -1.868 17835 920 1 3 . 1 1 16 16 ALA HA H 13 4.150 4.150 4.029 0.121 17835 921 1 3 . 1 1 16 16 ALA C C 13 181.072 181.072 179.565 1.507 17835 922 1 3 . 1 1 16 16 ALA CA C 13 55.371 55.371 55.070 0.301 17835 923 1 3 . 1 1 16 16 ALA CB C 13 17.845 17.845 18.433 -0.588 17835 924 1 3 . 1 1 16 16 ALA H H 13 7.587 7.587 8.199 -0.612 17835 925 1 3 . 1 1 17 17 VAL N N 14 119.183 119.183 119.019 0.164 17835 926 1 3 . 1 1 17 17 VAL HA H 14 3.858 3.858 3.393 0.465 17835 927 1 3 . 1 1 17 17 VAL C C 14 178.531 178.531 178.034 0.497 17835 928 1 3 . 1 1 17 17 VAL CA C 14 65.552 65.552 66.555 -1.003 17835 929 1 3 . 1 1 17 17 VAL CB C 14 32.190 32.190 30.964 1.226 17835 930 1 3 . 1 1 17 17 VAL H H 14 8.324 8.324 8.089 0.235 17835 931 1 3 . 1 1 18 18 LEU N N 15 120.498 120.498 119.036 1.462 17835 932 1 3 . 1 1 18 18 LEU HA H 15 3.985 3.985 3.907 0.078 17835 933 1 3 . 1 1 18 18 LEU C C 15 179.935 179.935 179.183 0.752 17835 934 1 3 . 1 1 18 18 LEU CA C 15 58.474 58.474 57.790 0.684 17835 935 1 3 . 1 1 18 18 LEU CB C 15 41.885 41.885 41.379 0.506 17835 936 1 3 . 1 1 18 18 LEU H H 15 8.388 8.388 8.101 0.287 17835 937 1 3 . 1 1 19 19 GLN N N 16 117.835 117.835 117.095 0.740 17835 938 1 3 . 1 1 19 19 GLN HA H 16 3.981 3.981 4.088 -0.106 17835 939 1 3 . 1 1 19 19 GLN C C 16 177.304 177.304 178.603 -1.299 17835 940 1 3 . 1 1 19 19 GLN CA C 16 58.668 58.668 58.091 0.577 17835 941 1 3 . 1 1 19 19 GLN CB C 16 28.274 28.274 28.510 -0.236 17835 942 1 3 . 1 1 19 19 GLN H H 16 8.689 8.689 8.195 0.494 17835 943 1 3 . 1 1 20 20 SER N N 17 111.043 111.043 115.112 -4.069 17835 944 1 3 . 1 1 20 20 SER HA H 17 4.386 4.386 4.346 0.040 17835 945 1 3 . 1 1 20 20 SER C C 17 173.630 173.630 176.173 -2.543 17835 946 1 3 . 1 1 20 20 SER CA C 17 59.252 59.252 60.853 -1.601 17835 947 1 3 . 1 1 20 20 SER CB C 17 63.600 63.600 63.783 -0.183 17835 948 1 3 . 1 1 20 20 SER H H 17 7.461 7.461 7.890 -0.429 17835 949 1 3 . 1 1 21 21 HIS N N 18 121.324 121.324 119.960 1.364 17835 950 1 3 . 1 1 21 21 HIS HA H 18 4.824 4.824 4.801 0.023 17835 951 1 3 . 1 1 21 21 HIS C C 18 174.835 174.835 175.259 -0.424 17835 952 1 3 . 1 1 21 21 HIS CA C 18 54.386 54.386 52.750 1.636 17835 953 1 3 . 1 1 21 21 HIS CB C 18 28.657 28.657 27.219 1.438 17835 954 1 3 . 1 1 21 21 HIS H H 18 7.692 7.692 8.201 -0.509 17835 955 1 3 . 1 1 22 22 LYS N N 19 123.925 123.925 121.056 2.869 17835 956 1 3 . 1 1 22 22 LYS HA H 19 4.161 4.161 4.123 0.038 17835 957 1 3 . 1 1 22 22 LYS C C 19 177.562 177.562 177.375 0.187 17835 958 1 3 . 1 1 22 22 LYS CA C 19 59.316 59.316 58.532 0.784 17835 959 1 3 . 1 1 22 22 LYS CB C 19 32.202 32.202 31.959 0.243 17835 960 1 3 . 1 1 22 22 LYS H H 19 8.809 8.809 7.608 1.201 17835 961 1 3 . 1 1 23 23 ASN N N 20 115.473 115.473 116.262 -0.789 17835 962 1 3 . 1 1 23 23 ASN HA H 20 5.073 5.073 4.684 0.389 17835 963 1 3 . 1 1 23 23 ASN C C 20 174.783 174.783 175.908 -1.125 17835 964 1 3 . 1 1 23 23 ASN CA C 20 52.835 52.835 53.489 -0.654 17835 965 1 3 . 1 1 23 23 ASN CB C 20 38.540 38.540 38.970 -0.430 17835 966 1 3 . 1 1 23 23 ASN H H 20 8.784 8.784 8.106 0.678 17835 967 1 3 . 1 1 24 24 GLY N N 21 107.402 107.402 108.470 -1.068 17835 968 1 3 . 1 1 24 24 GLY C C 21 172.572 172.572 172.821 -0.249 17835 969 1 3 . 1 1 24 24 GLY CA C 21 44.739 44.739 44.416 0.322 17835 970 1 3 . 1 1 24 24 GLY H H 21 7.743 7.743 7.882 -0.139 17835 971 1 3 . 1 1 25 25 ILE N N 22 117.796 117.796 115.898 1.898 17835 972 1 3 . 1 1 25 25 ILE HA H 22 4.272 4.272 4.634 -0.362 17835 973 1 3 . 1 1 25 25 ILE C C 22 175.452 175.452 174.993 0.459 17835 974 1 3 . 1 1 25 25 ILE CA C 22 59.468 59.468 59.268 0.200 17835 975 1 3 . 1 1 25 25 ILE CB C 22 41.833 41.833 40.585 1.248 17835 976 1 3 . 1 1 25 25 ILE H H 22 8.509 8.509 7.963 0.546 17835 977 1 3 . 1 1 26 26 VAL N N 23 124.597 124.597 122.576 2.021 17835 978 1 3 . 1 1 26 26 VAL HA H 23 4.585 4.585 4.378 0.207 17835 979 1 3 . 1 1 26 26 VAL C C 23 177.566 177.566 177.548 0.018 17835 980 1 3 . 1 1 26 26 VAL CA C 23 62.227 62.227 62.066 0.161 17835 981 1 3 . 1 1 26 26 VAL CB C 23 31.945 31.945 32.169 -0.224 17835 982 1 3 . 1 1 26 26 VAL H H 23 8.524 8.524 8.390 0.134 17835 983 1 3 . 1 1 27 27 LEU N N 24 124.858 124.858 121.204 3.654 17835 984 1 3 . 1 1 27 27 LEU HA H 24 4.011 4.011 4.341 -0.330 17835 985 1 3 . 1 1 27 27 LEU C C 24 175.569 175.569 176.633 -1.064 17835 986 1 3 . 1 1 27 27 LEU CA C 24 60.394 60.394 58.660 1.734 17835 987 1 3 . 1 1 27 27 LEU CB C 24 39.402 39.402 39.115 0.287 17835 988 1 3 . 1 1 27 27 LEU H H 24 8.816 8.816 8.483 0.333 17835 989 1 3 . 1 1 28 28 PRO HA H 25 4.401 4.401 4.357 0.044 17835 990 1 3 . 1 1 28 28 PRO C C 25 177.600 177.600 179.206 -1.606 17835 991 1 3 . 1 1 28 28 PRO CA C 25 65.549 65.549 65.024 0.525 17835 992 1 3 . 1 1 28 28 PRO CB C 25 31.458 31.458 31.235 0.223 17835 993 1 3 . 1 1 29 29 ARG N N 26 115.136 115.136 119.411 -4.275 17835 994 1 3 . 1 1 29 29 ARG HA H 26 4.511 4.511 4.086 0.425 17835 995 1 3 . 1 1 29 29 ARG C C 26 177.152 177.152 178.234 -1.082 17835 996 1 3 . 1 1 29 29 ARG CA C 26 55.853 55.853 59.286 -3.433 17835 997 1 3 . 1 1 29 29 ARG CB C 26 30.981 30.981 29.891 1.090 17835 998 1 3 . 1 1 29 29 ARG H H 26 7.869 7.869 7.762 0.107 17835 999 1 3 . 1 1 30 30 LEU N N 27 122.984 122.984 121.165 1.819 17835 1000 1 3 . 1 1 30 30 LEU HA H 27 3.842 3.842 3.959 -0.117 17835 1001 1 3 . 1 1 30 30 LEU C C 27 177.872 177.872 178.474 -0.602 17835 1002 1 3 . 1 1 30 30 LEU CA C 27 59.458 59.458 58.656 0.802 17835 1003 1 3 . 1 1 30 30 LEU CB C 27 42.326 42.326 41.364 0.962 17835 1004 1 3 . 1 1 30 30 LEU H H 27 7.870 7.870 8.694 -0.824 17835 1005 1 3 . 1 1 31 31 GLN N N 28 117.382 117.382 118.081 -0.699 17835 1006 1 3 . 1 1 31 31 GLN HA H 28 4.689 4.689 4.006 0.683 17835 1007 1 3 . 1 1 31 31 GLN C C 28 178.888 178.888 179.011 -0.123 17835 1008 1 3 . 1 1 31 31 GLN CA C 28 60.243 60.243 59.347 0.896 17835 1009 1 3 . 1 1 31 31 GLN CB C 28 27.811 27.811 28.535 -0.724 17835 1010 1 3 . 1 1 31 31 GLN H H 28 9.217 9.217 7.815 1.402 17835 1011 1 3 . 1 1 32 32 GLY N N 29 105.066 105.066 107.754 -2.688 17835 1012 1 3 . 1 1 32 32 GLY C C 29 177.579 177.579 176.594 0.985 17835 1013 1 3 . 1 1 32 32 GLY CA C 29 47.254 47.254 47.280 -0.026 17835 1014 1 3 . 1 1 32 32 GLY H H 29 8.680 8.680 8.198 0.482 17835 1015 1 3 . 1 1 33 33 GLU N N 30 121.593 121.593 122.910 -1.317 17835 1016 1 3 . 1 1 33 33 GLU HA H 30 4.274 4.274 4.221 0.053 17835 1017 1 3 . 1 1 33 33 GLU C C 30 179.316 179.316 178.739 0.577 17835 1018 1 3 . 1 1 33 33 GLU CA C 30 59.068 59.068 58.615 0.453 17835 1019 1 3 . 1 1 33 33 GLU CB C 30 29.077 29.077 29.393 -0.316 17835 1020 1 3 . 1 1 33 33 GLU H H 30 8.063 8.063 8.315 -0.252 17835 1021 1 3 . 1 1 34 34 TYR N N 31 123.143 123.143 122.097 1.046 17835 1022 1 3 . 1 1 34 34 TYR HA H 31 4.083 4.083 4.051 0.032 17835 1023 1 3 . 1 1 34 34 TYR C C 31 178.379 178.379 177.272 1.107 17835 1024 1 3 . 1 1 34 34 TYR CA C 31 62.406 62.406 61.801 0.605 17835 1025 1 3 . 1 1 34 34 TYR CB C 31 39.405 39.405 38.438 0.967 17835 1026 1 3 . 1 1 34 34 TYR H H 31 9.063 9.063 8.821 0.242 17835 1027 1 3 . 1 1 35 35 ARG N N 32 123.458 123.458 119.241 4.217 17835 1028 1 3 . 1 1 35 35 ARG HA H 32 4.281 4.281 3.927 0.354 17835 1029 1 3 . 1 1 35 35 ARG C C 32 180.186 180.186 178.908 1.278 17835 1030 1 3 . 1 1 35 35 ARG CA C 32 58.908 58.908 59.216 -0.308 17835 1031 1 3 . 1 1 35 35 ARG CB C 32 29.708 29.708 29.934 -0.226 17835 1032 1 3 . 1 1 35 35 ARG H H 32 9.321 9.321 8.680 0.641 17835 1033 1 3 . 1 1 36 36 SER N N 33 116.071 116.071 115.684 0.387 17835 1034 1 3 . 1 1 36 36 SER HA H 33 4.048 4.048 4.111 -0.063 17835 1035 1 3 . 1 1 36 36 SER C C 33 175.063 175.063 175.703 -0.640 17835 1036 1 3 . 1 1 36 36 SER CA C 33 61.856 61.856 61.688 0.168 17835 1037 1 3 . 1 1 36 36 SER CB C 33 62.779 62.779 62.827 -0.048 17835 1038 1 3 . 1 1 36 36 SER H H 33 8.078 8.078 7.961 0.117 17835 1039 1 3 . 1 1 37 37 LEU N N 34 118.571 118.571 121.649 -3.078 17835 1040 1 3 . 1 1 37 37 LEU HA H 34 4.342 4.342 4.258 0.084 17835 1041 1 3 . 1 1 37 37 LEU C C 34 178.400 178.400 178.057 0.343 17835 1042 1 3 . 1 1 37 37 LEU CA C 34 57.073 57.073 57.002 0.071 17835 1043 1 3 . 1 1 37 37 LEU CB C 34 43.132 43.132 42.294 0.838 17835 1044 1 3 . 1 1 37 37 LEU H H 34 7.167 7.167 7.452 -0.285 17835 1045 1 3 . 1 1 38 38 THR N N 35 106.425 106.425 109.693 -3.268 17835 1046 1 3 . 1 1 38 38 THR HA H 35 4.163 4.163 4.147 0.016 17835 1047 1 3 . 1 1 38 38 THR C C 35 176.259 176.259 175.841 0.418 17835 1048 1 3 . 1 1 38 38 THR CA C 35 62.637 62.637 62.413 0.224 17835 1049 1 3 . 1 1 38 38 THR CB C 35 71.659 71.659 69.290 2.369 17835 1050 1 3 . 1 1 38 38 THR H H 35 8.168 8.168 7.850 0.318 17835 1051 1 3 . 1 1 39 39 GLY N N 36 112.162 112.162 110.686 1.476 17835 1052 1 3 . 1 1 39 39 GLY C C 36 172.464 172.464 173.017 -0.553 17835 1053 1 3 . 1 1 39 39 GLY CA C 36 45.225 45.225 45.132 0.093 17835 1054 1 3 . 1 1 39 39 GLY H H 36 8.759 8.759 8.043 0.716 17835 1055 1 3 . 1 1 40 40 ASP N N 37 121.106 121.106 118.231 2.875 17835 1056 1 3 . 1 1 40 40 ASP HA H 37 4.733 4.733 4.714 0.019 17835 1057 1 3 . 1 1 40 40 ASP C C 37 173.861 173.861 174.037 -0.176 17835 1058 1 3 . 1 1 40 40 ASP CA C 37 52.159 52.159 51.812 0.347 17835 1059 1 3 . 1 1 40 40 ASP CB C 37 44.573 44.573 43.623 0.951 17835 1060 1 3 . 1 1 40 40 ASP H H 37 8.414 8.414 7.521 0.893 17835 1061 1 3 . 1 1 41 41 TRP N N 38 115.206 115.206 120.390 -5.184 17835 1062 1 3 . 1 1 41 41 TRP HA H 38 5.107 5.107 4.839 0.268 17835 1063 1 3 . 1 1 41 41 TRP C C 38 177.125 177.125 177.179 -0.054 17835 1064 1 3 . 1 1 41 41 TRP CA C 38 54.889 54.889 55.906 -1.017 17835 1065 1 3 . 1 1 41 41 TRP CB C 38 31.592 31.592 30.721 0.870 17835 1066 1 3 . 1 1 41 41 TRP H H 38 8.016 8.016 8.102 -0.086 17835 1067 1 3 . 1 1 42 42 ILE N N 39 123.723 123.723 122.736 0.987 17835 1068 1 3 . 1 1 42 42 ILE HA H 39 3.512 3.512 3.513 -0.001 17835 1069 1 3 . 1 1 42 42 ILE C C 39 177.199 177.199 175.567 1.632 17835 1070 1 3 . 1 1 42 42 ILE CA C 39 60.467 60.467 60.459 0.008 17835 1071 1 3 . 1 1 42 42 ILE CB C 39 38.133 38.133 37.115 1.018 17835 1072 1 3 . 1 1 42 42 ILE H H 39 10.079 10.079 8.618 1.461 17835 1073 1 3 . 1 1 43 43 PRO HA H 40 4.600 4.600 4.726 -0.126 17835 1074 1 3 . 1 1 43 43 PRO C C 40 174.997 174.997 176.815 -1.818 17835 1075 1 3 . 1 1 43 43 PRO CA C 40 62.511 62.511 62.343 0.168 17835 1076 1 3 . 1 1 43 43 PRO CB C 40 27.857 27.857 29.437 -1.580 17835 1077 1 3 . 1 1 44 44 PHE N N 41 118.808 118.808 120.135 -1.327 17835 1078 1 3 . 1 1 44 44 PHE HA H 41 3.737 3.737 4.270 -0.533 17835 1079 1 3 . 1 1 44 44 PHE C C 41 175.891 175.891 176.757 -0.866 17835 1080 1 3 . 1 1 44 44 PHE CA C 41 60.911 60.911 61.864 -0.953 17835 1081 1 3 . 1 1 44 44 PHE CB C 41 38.412 38.412 37.590 0.822 17835 1082 1 3 . 1 1 44 44 PHE H H 41 7.647 7.647 7.906 -0.259 17835 1083 1 3 . 1 1 45 45 LYS N N 42 123.543 123.543 119.846 3.697 17835 1084 1 3 . 1 1 45 45 LYS HA H 42 4.763 4.763 4.095 0.668 17835 1085 1 3 . 1 1 45 45 LYS C C 42 181.828 181.828 178.679 3.149 17835 1086 1 3 . 1 1 45 45 LYS CA C 42 58.959 58.959 58.536 0.423 17835 1087 1 3 . 1 1 45 45 LYS CB C 42 31.599 31.599 31.554 0.045 17835 1088 1 3 . 1 1 45 45 LYS H H 42 7.387 7.387 7.252 0.135 17835 1089 1 3 . 1 1 46 46 GLN N N 43 123.171 123.171 118.266 4.905 17835 1090 1 3 . 1 1 46 46 GLN HA H 43 3.896 3.896 4.003 -0.107 17835 1091 1 3 . 1 1 46 46 GLN C C 43 178.167 178.167 177.908 0.259 17835 1092 1 3 . 1 1 46 46 GLN CA C 43 59.066 59.066 58.431 0.635 17835 1093 1 3 . 1 1 46 46 GLN CB C 43 27.702 27.702 28.277 -0.575 17835 1094 1 3 . 1 1 46 46 GLN H H 43 8.567 8.567 7.902 0.665 17835 1095 1 3 . 1 1 47 47 LEU N N 44 116.472 116.472 118.231 -1.759 17835 1096 1 3 . 1 1 47 47 LEU HA H 44 4.255 4.255 4.245 0.010 17835 1097 1 3 . 1 1 47 47 LEU C C 44 176.103 176.103 177.999 -1.896 17835 1098 1 3 . 1 1 47 47 LEU CA C 44 55.308 55.308 55.800 -0.492 17835 1099 1 3 . 1 1 47 47 LEU CB C 44 41.374 41.374 42.946 -1.572 17835 1100 1 3 . 1 1 47 47 LEU H H 44 7.544 7.544 8.208 -0.664 17835 1101 1 3 . 1 1 48 48 GLY N N 45 104.932 104.932 104.097 0.835 17835 1102 1 3 . 1 1 48 48 GLY C C 45 173.844 173.844 174.408 -0.564 17835 1103 1 3 . 1 1 48 48 GLY CA C 45 44.826 44.826 44.431 0.395 17835 1104 1 3 . 1 1 48 48 GLY H H 45 7.741 7.741 7.909 -0.168 17835 1105 1 3 . 1 1 49 49 TYR N N 46 119.946 119.946 121.039 -1.093 17835 1106 1 3 . 1 1 49 49 TYR HA H 46 4.839 4.839 4.853 -0.013 17835 1107 1 3 . 1 1 49 49 TYR C C 46 174.575 174.575 174.977 -0.402 17835 1108 1 3 . 1 1 49 49 TYR CA C 46 56.349 56.349 56.071 0.278 17835 1109 1 3 . 1 1 49 49 TYR CB C 46 41.464 41.464 38.405 3.059 17835 1110 1 3 . 1 1 49 49 TYR H H 46 8.332 8.332 7.970 0.362 17835 1111 1 3 . 1 1 50 50 PRO HA H 47 4.556 4.556 4.479 0.077 17835 1112 1 3 . 1 1 50 50 PRO C C 47 177.125 177.125 176.757 0.368 17835 1113 1 3 . 1 1 50 50 PRO CA C 47 64.115 64.115 64.549 -0.434 17835 1114 1 3 . 1 1 50 50 PRO CB C 47 32.152 32.152 31.983 0.169 17835 1115 1 3 . 1 1 51 51 THR N N 48 105.643 105.643 108.798 -3.155 17835 1116 1 3 . 1 1 51 51 THR HA H 48 4.129 4.129 4.335 -0.206 17835 1117 1 3 . 1 1 51 51 THR C C 48 173.270 173.270 175.084 -1.814 17835 1118 1 3 . 1 1 51 51 THR CA C 48 58.738 58.738 59.461 -0.723 17835 1119 1 3 . 1 1 51 51 THR CB C 48 73.254 73.254 71.563 1.691 17835 1120 1 3 . 1 1 51 51 THR H H 48 6.939 6.939 7.617 -0.678 17835 1121 1 3 . 1 1 52 52 LEU N N 49 121.743 121.743 122.861 -1.118 17835 1122 1 3 . 1 1 52 52 LEU HA H 49 3.325 3.325 3.797 -0.472 17835 1123 1 3 . 1 1 52 52 LEU C C 49 178.195 178.195 178.764 -0.569 17835 1124 1 3 . 1 1 52 52 LEU CA C 49 57.551 57.551 58.160 -0.609 17835 1125 1 3 . 1 1 52 52 LEU CB C 49 40.517 40.517 41.010 -0.493 17835 1126 1 3 . 1 1 52 52 LEU H H 49 7.849 7.849 8.247 -0.398 17835 1127 1 3 . 1 1 53 53 GLU N N 50 118.706 118.706 118.757 -0.051 17835 1128 1 3 . 1 1 53 53 GLU HA H 50 3.411 3.411 3.887 -0.476 17835 1129 1 3 . 1 1 53 53 GLU C C 50 176.853 176.853 178.509 -1.656 17835 1130 1 3 . 1 1 53 53 GLU CA C 50 60.720 60.720 59.388 1.332 17835 1131 1 3 . 1 1 53 53 GLU CB C 50 28.696 28.696 28.747 -0.051 17835 1132 1 3 . 1 1 53 53 GLU H H 50 8.981 8.981 8.744 0.237 17835 1133 1 3 . 1 1 54 54 ALA N N 51 119.673 119.673 122.683 -3.010 17835 1134 1 3 . 1 1 54 54 ALA HA H 51 3.885 3.885 4.025 -0.140 17835 1135 1 3 . 1 1 54 54 ALA C C 51 180.232 180.232 179.388 0.844 17835 1136 1 3 . 1 1 54 54 ALA CA C 51 55.127 55.127 55.013 0.114 17835 1137 1 3 . 1 1 54 54 ALA CB C 51 18.345 18.345 18.466 -0.121 17835 1138 1 3 . 1 1 54 54 ALA H H 51 8.001 8.001 7.690 0.311 17835 1139 1 3 . 1 1 55 55 TYR N N 52 117.474 117.474 120.234 -2.760 17835 1140 1 3 . 1 1 55 55 TYR HA H 52 2.898 2.898 3.276 -0.378 17835 1141 1 3 . 1 1 55 55 TYR C C 52 178.563 178.563 177.227 1.336 17835 1142 1 3 . 1 1 55 55 TYR CA C 52 59.876 59.876 61.217 -1.341 17835 1143 1 3 . 1 1 55 55 TYR CB C 52 37.365 37.365 38.252 -0.887 17835 1144 1 3 . 1 1 55 55 TYR H H 52 7.218 7.218 7.984 -0.766 17835 1145 1 3 . 1 1 56 56 LEU N N 53 121.106 121.106 117.544 3.562 17835 1146 1 3 . 1 1 56 56 LEU HA H 53 3.221 3.221 3.730 -0.509 17835 1147 1 3 . 1 1 56 56 LEU C C 53 179.706 179.706 179.263 0.443 17835 1148 1 3 . 1 1 56 56 LEU CA C 53 57.334 57.334 57.395 -0.061 17835 1149 1 3 . 1 1 56 56 LEU CB C 53 40.788 40.788 41.712 -0.924 17835 1150 1 3 . 1 1 56 56 LEU H H 53 8.440 8.440 7.946 0.494 17835 1151 1 3 . 1 1 57 57 ARG N N 54 116.303 116.303 120.101 -3.798 17835 1152 1 3 . 1 1 57 57 ARG HA H 54 3.722 3.722 4.010 -0.288 17835 1153 1 3 . 1 1 57 57 ARG C C 54 176.071 176.071 177.807 -1.736 17835 1154 1 3 . 1 1 57 57 ARG CA C 54 58.463 58.463 58.629 -0.166 17835 1155 1 3 . 1 1 57 57 ARG CB C 54 29.735 29.735 29.921 -0.186 17835 1156 1 3 . 1 1 57 57 ARG H H 54 7.998 7.998 8.616 -0.618 17835 1157 1 3 . 1 1 58 58 SER N N 55 115.365 115.365 113.012 2.353 17835 1158 1 3 . 1 1 58 58 SER HA H 55 4.357 4.357 4.371 -0.014 17835 1159 1 3 . 1 1 58 58 SER C C 55 173.970 173.970 173.913 0.057 17835 1160 1 3 . 1 1 58 58 SER CA C 55 59.762 59.762 60.023 -0.261 17835 1161 1 3 . 1 1 58 58 SER CB C 55 63.886 63.886 63.298 0.588 17835 1162 1 3 . 1 1 58 58 SER H H 55 7.491 7.491 7.600 -0.109 17835 1163 1 3 . 1 1 59 59 VAL N N 56 113.059 113.059 120.517 -7.458 17835 1164 1 3 . 1 1 59 59 VAL HA H 56 5.090 5.090 4.561 0.529 17835 1165 1 3 . 1 1 59 59 VAL C C 56 174.276 174.276 173.935 0.341 17835 1166 1 3 . 1 1 59 59 VAL CA C 56 58.444 58.444 58.731 -0.287 17835 1167 1 3 . 1 1 59 59 VAL CB C 56 31.559 31.559 32.677 -1.118 17835 1168 1 3 . 1 1 59 59 VAL H H 56 6.729 6.729 7.000 -0.271 17835 1169 1 3 . 1 1 60 60 PRO HA H 57 4.902 4.902 4.759 0.143 17835 1170 1 3 . 1 1 60 60 PRO C C 57 177.563 177.563 177.347 0.216 17835 1171 1 3 . 1 1 60 60 PRO CA C 57 64.541 64.541 64.513 0.028 17835 1172 1 3 . 1 1 60 60 PRO CB C 57 31.768 31.768 31.648 0.120 17835 1173 1 3 . 1 1 61 61 ALA N N 58 120.004 120.004 120.139 -0.135 17835 1174 1 3 . 1 1 61 61 ALA HA H 58 4.327 4.327 4.277 0.050 17835 1175 1 3 . 1 1 61 61 ALA C C 58 177.191 177.191 177.880 -0.689 17835 1176 1 3 . 1 1 61 61 ALA CA C 58 52.795 52.795 53.603 -0.808 17835 1177 1 3 . 1 1 61 61 ALA CB C 58 18.427 18.427 19.329 -0.902 17835 1178 1 3 . 1 1 61 61 ALA H H 58 8.397 8.397 8.065 0.332 17835 1179 1 3 . 1 1 62 62 VAL N N 59 116.635 116.635 113.052 3.583 17835 1180 1 3 . 1 1 62 62 VAL HA H 59 4.032 4.032 4.388 -0.356 17835 1181 1 3 . 1 1 62 62 VAL C C 59 174.238 174.238 175.076 -0.838 17835 1182 1 3 . 1 1 62 62 VAL CA C 59 63.741 63.741 62.790 0.951 17835 1183 1 3 . 1 1 62 62 VAL CB C 59 34.115 34.115 34.924 -0.809 17835 1184 1 3 . 1 1 62 62 VAL H H 59 8.080 8.080 7.698 0.382 17835 1185 1 3 . 1 1 63 63 VAL N N 60 117.153 117.153 119.358 -2.205 17835 1186 1 3 . 1 1 63 63 VAL HA H 60 4.911 4.911 4.570 0.341 17835 1187 1 3 . 1 1 63 63 VAL C C 60 172.258 172.258 173.654 -1.396 17835 1188 1 3 . 1 1 63 63 VAL CA C 60 59.006 59.006 61.039 -2.033 17835 1189 1 3 . 1 1 63 63 VAL CB C 60 35.461 35.461 36.395 -0.934 17835 1190 1 3 . 1 1 63 63 VAL H H 60 7.791 7.791 8.150 -0.359 17835 1191 1 3 . 1 1 64 64 ARG N N 61 129.658 129.658 122.069 7.589 17835 1192 1 3 . 1 1 64 64 ARG HA H 61 4.727 4.727 5.004 -0.277 17835 1193 1 3 . 1 1 64 64 ARG C C 61 174.437 174.437 173.649 0.788 17835 1194 1 3 . 1 1 64 64 ARG CA C 61 54.117 54.117 55.100 -0.983 17835 1195 1 3 . 1 1 64 64 ARG CB C 61 32.754 32.754 34.507 -1.753 17835 1196 1 3 . 1 1 64 64 ARG H H 61 9.208 9.208 8.920 0.288 17835 1197 1 3 . 1 1 65 65 ILE N N 62 125.775 125.775 117.966 7.809 17835 1198 1 3 . 1 1 65 65 ILE HA H 62 4.917 4.917 5.374 -0.457 17835 1199 1 3 . 1 1 65 65 ILE C C 62 175.842 175.842 174.686 1.156 17835 1200 1 3 . 1 1 65 65 ILE CA C 62 59.545 59.545 59.712 -0.167 17835 1201 1 3 . 1 1 65 65 ILE CB C 62 39.645 39.645 42.367 -2.721 17835 1202 1 3 . 1 1 65 65 ILE H H 62 8.736 8.736 8.313 0.423 17835 1203 1 3 . 1 1 66 66 GLU N N 63 127.114 127.114 122.908 4.206 17835 1204 1 3 . 1 1 66 66 GLU HA H 63 4.677 4.677 4.740 -0.063 17835 1205 1 3 . 1 1 66 66 GLU C C 63 174.409 174.409 175.288 -0.879 17835 1206 1 3 . 1 1 66 66 GLU CA C 63 54.791 54.791 54.820 -0.029 17835 1207 1 3 . 1 1 66 66 GLU CB C 63 33.078 33.078 31.625 1.453 17835 1208 1 3 . 1 1 66 66 GLU H H 63 9.197 9.197 9.139 0.058 17835 1209 1 3 . 1 1 67 67 ALA N N 64 127.913 127.913 129.668 -1.755 17835 1210 1 3 . 1 1 67 67 ALA HA H 64 5.026 5.026 4.619 0.407 17835 1211 1 3 . 1 1 67 67 ALA C C 64 177.717 177.717 177.194 0.523 17835 1212 1 3 . 1 1 67 67 ALA CA C 64 51.070 51.070 51.718 -0.648 17835 1213 1 3 . 1 1 67 67 ALA CB C 64 19.550 19.550 19.124 0.426 17835 1214 1 3 . 1 1 67 67 ALA H H 64 8.779 8.779 8.591 0.188 17835 1215 1 3 . 1 1 68 68 SER N N 65 119.364 119.364 119.577 -0.213 17835 1216 1 3 . 1 1 68 68 SER HA H 65 4.665 4.665 4.519 0.146 17835 1217 1 3 . 1 1 68 68 SER C C 65 176.518 176.518 176.679 -0.161 17835 1218 1 3 . 1 1 68 68 SER CA C 65 57.096 57.096 57.235 -0.139 17835 1219 1 3 . 1 1 68 68 SER CB C 65 65.234 65.234 64.273 0.961 17835 1220 1 3 . 1 1 68 68 SER H H 65 8.951 8.951 8.648 0.303 17835 1221 1 3 . 1 1 69 69 ARG N N 66 123.143 123.143 125.675 -2.532 17835 1222 1 3 . 1 1 69 69 ARG HA H 66 4.153 4.153 4.202 -0.049 17835 1223 1 3 . 1 1 69 69 ARG C C 66 177.356 177.356 176.789 0.567 17835 1224 1 3 . 1 1 69 69 ARG CA C 66 58.973 58.973 58.311 0.662 17835 1225 1 3 . 1 1 69 69 ARG CB C 66 29.659 29.659 29.538 0.121 17835 1226 1 3 . 1 1 69 69 ARG H H 66 9.075 9.075 8.931 0.144 17835 1227 1 3 . 1 1 70 70 SER N N 67 112.081 112.081 115.242 -3.161 17835 1228 1 3 . 1 1 70 70 SER HA H 67 4.416 4.416 4.369 0.047 17835 1229 1 3 . 1 1 70 70 SER C C 67 175.146 175.146 175.625 -0.479 17835 1230 1 3 . 1 1 70 70 SER CA C 67 58.413 58.413 58.666 -0.253 17835 1231 1 3 . 1 1 70 70 SER CB C 67 63.477 63.477 63.654 -0.177 17835 1232 1 3 . 1 1 70 70 SER H H 67 8.083 8.083 7.846 0.237 17835 1233 1 3 . 1 1 71 71 GLY N N 68 110.519 110.519 108.629 1.890 17835 1234 1 3 . 1 1 71 71 GLY C C 68 174.116 174.116 174.201 -0.085 17835 1235 1 3 . 1 1 71 71 GLY CA C 68 45.114 45.114 45.093 0.021 17835 1236 1 3 . 1 1 71 71 GLY H H 68 7.974 7.974 7.848 0.126 17835 1237 1 3 . 1 1 72 72 GLU N N 69 120.663 120.663 121.351 -0.688 17835 1238 1 3 . 1 1 72 72 GLU HA H 69 4.289 4.289 4.493 -0.204 17835 1239 1 3 . 1 1 72 72 GLU C C 69 175.352 175.352 175.518 -0.166 17835 1240 1 3 . 1 1 72 72 GLU CA C 69 56.082 56.082 55.499 0.583 17835 1241 1 3 . 1 1 72 72 GLU CB C 69 30.517 30.517 30.796 -0.279 17835 1242 1 3 . 1 1 72 72 GLU H H 69 7.630 7.630 8.161 -0.531 17835 1243 1 3 . 1 1 73 73 ILE N N 70 125.775 125.775 120.834 4.941 17835 1244 1 3 . 1 1 73 73 ILE HA H 70 4.367 4.367 4.845 -0.478 17835 1245 1 3 . 1 1 73 73 ILE C C 70 174.613 174.613 173.748 0.865 17835 1246 1 3 . 1 1 73 73 ILE CA C 70 60.876 60.876 59.376 1.500 17835 1247 1 3 . 1 1 73 73 ILE CB C 70 37.465 37.465 41.557 -4.092 17835 1248 1 3 . 1 1 73 73 ILE H H 70 8.753 8.753 8.242 0.511 17835 1249 1 3 . 1 1 74 74 VAL N N 71 128.300 128.300 127.819 0.481 17835 1250 1 3 . 1 1 74 74 VAL HA H 71 4.153 4.153 4.446 -0.293 17835 1251 1 3 . 1 1 74 74 VAL C C 71 173.544 173.544 174.788 -1.244 17835 1252 1 3 . 1 1 74 74 VAL CA C 71 61.736 61.736 59.933 1.803 17835 1253 1 3 . 1 1 74 74 VAL CB C 71 33.763 33.763 33.044 0.719 17835 1254 1 3 . 1 1 74 74 VAL H H 71 8.724 8.724 8.752 -0.028 17835 1255 1 3 . 1 1 75 75 CYS N N 72 122.823 122.823 125.475 -2.652 17835 1256 1 3 . 1 1 75 75 CYS HA H 72 4.948 4.948 4.969 -0.021 17835 1257 1 3 . 1 1 75 75 CYS C C 72 173.200 173.200 173.855 -0.655 17835 1258 1 3 . 1 1 75 75 CYS CA C 72 57.176 57.176 57.889 -0.713 17835 1259 1 3 . 1 1 75 75 CYS CB C 72 29.712 29.712 29.698 0.014 17835 1260 1 3 . 1 1 75 75 CYS H H 72 8.200 8.200 8.742 -0.542 17835 1261 1 3 . 1 1 76 76 TYR N N 73 119.584 119.584 119.329 0.255 17835 1262 1 3 . 1 1 76 76 TYR HA H 73 5.013 5.013 4.777 0.236 17835 1263 1 3 . 1 1 76 76 TYR C C 73 175.779 175.779 174.928 0.851 17835 1264 1 3 . 1 1 76 76 TYR CA C 73 56.289 56.289 57.106 -0.817 17835 1265 1 3 . 1 1 76 76 TYR CB C 73 42.505 42.505 43.130 -0.625 17835 1266 1 3 . 1 1 76 76 TYR H H 73 9.265 9.265 9.303 -0.038 17835 1267 1 3 . 1 1 77 77 ALA N N 74 122.844 122.844 121.891 0.953 17835 1268 1 3 . 1 1 77 77 ALA HA H 74 4.423 4.423 4.663 -0.240 17835 1269 1 3 . 1 1 77 77 ALA C C 74 177.907 177.907 175.635 2.272 17835 1270 1 3 . 1 1 77 77 ALA CA C 74 52.151 52.151 51.204 0.947 17835 1271 1 3 . 1 1 77 77 ALA CB C 74 18.915 18.915 21.063 -2.148 17835 1272 1 3 . 1 1 77 77 ALA H H 74 9.145 9.145 8.923 0.222 17835 1273 1 3 . 1 1 78 78 VAL N N 75 123.434 123.434 117.114 6.320 17835 1274 1 3 . 1 1 78 78 VAL HA H 75 3.826 3.826 4.313 -0.487 17835 1275 1 3 . 1 1 78 78 VAL C C 75 174.995 174.995 174.811 0.184 17835 1276 1 3 . 1 1 78 78 VAL CA C 75 63.379 63.379 62.390 0.989 17835 1277 1 3 . 1 1 78 78 VAL CB C 75 32.715 32.715 34.738 -2.023 17835 1278 1 3 . 1 1 78 78 VAL H H 75 7.894 7.894 8.480 -0.586 17835 1279 1 4 . 1 1 5 5 LEU N N 2 124.907 124.907 122.020 2.887 17835 1280 1 4 . 1 1 5 5 LEU HA H 2 4.299 4.299 4.403 -0.104 17835 1281 1 4 . 1 1 5 5 LEU C C 2 177.892 177.892 178.068 -0.176 17835 1282 1 4 . 1 1 5 5 LEU CA C 2 55.749 55.749 54.432 1.317 17835 1283 1 4 . 1 1 5 5 LEU CB C 2 42.001 42.001 42.587 -0.587 17835 1284 1 4 . 1 1 5 5 LEU H H 2 8.636 8.636 8.455 0.181 17835 1285 1 4 . 1 1 6 6 GLU N N 3 122.649 122.649 121.842 0.807 17835 1286 1 4 . 1 1 6 6 GLU HA H 3 4.172 4.172 3.961 0.211 17835 1287 1 4 . 1 1 6 6 GLU C C 3 177.481 177.481 178.537 -1.056 17835 1288 1 4 . 1 1 6 6 GLU CA C 3 58.106 58.106 60.043 -1.937 17835 1289 1 4 . 1 1 6 6 GLU CB C 3 28.874 28.874 29.703 -0.829 17835 1290 1 4 . 1 1 6 6 GLU H H 3 8.594 8.594 8.947 -0.353 17835 1291 1 4 . 1 1 7 7 ALA N N 4 121.929 121.929 121.366 0.563 17835 1292 1 4 . 1 1 7 7 ALA HA H 4 3.944 3.944 4.176 -0.232 17835 1293 1 4 . 1 1 7 7 ALA C C 4 180.419 180.419 179.427 0.992 17835 1294 1 4 . 1 1 7 7 ALA CA C 4 55.686 55.686 55.085 0.601 17835 1295 1 4 . 1 1 7 7 ALA CB C 4 18.587 18.587 17.987 0.600 17835 1296 1 4 . 1 1 7 7 ALA H H 4 8.744 8.744 8.373 0.371 17835 1297 1 4 . 1 1 8 8 ASP N N 5 117.514 117.514 119.621 -2.107 17835 1298 1 4 . 1 1 8 8 ASP HA H 5 4.482 4.482 4.489 -0.007 17835 1299 1 4 . 1 1 8 8 ASP C C 5 178.010 178.010 178.192 -0.182 17835 1300 1 4 . 1 1 8 8 ASP CA C 5 56.603 56.603 56.821 -0.218 17835 1301 1 4 . 1 1 8 8 ASP CB C 5 40.353 40.353 40.681 -0.328 17835 1302 1 4 . 1 1 8 8 ASP H H 5 8.071 8.071 8.283 -0.212 17835 1303 1 4 . 1 1 9 9 LEU N N 6 122.640 122.640 121.351 1.289 17835 1304 1 4 . 1 1 9 9 LEU HA H 6 4.165 4.165 3.998 0.167 17835 1305 1 4 . 1 1 9 9 LEU C C 6 178.699 178.699 178.470 0.229 17835 1306 1 4 . 1 1 9 9 LEU CA C 6 57.986 57.986 58.389 -0.403 17835 1307 1 4 . 1 1 9 9 LEU CB C 6 41.675 41.675 42.141 -0.466 17835 1308 1 4 . 1 1 9 9 LEU H H 6 7.713 7.713 8.203 -0.490 17835 1309 1 4 . 1 1 10 10 VAL N N 7 119.303 119.303 114.916 4.387 17835 1310 1 4 . 1 1 10 10 VAL HA H 7 4.025 4.025 3.775 0.250 17835 1311 1 4 . 1 1 10 10 VAL C C 7 178.570 178.570 177.935 0.635 17835 1312 1 4 . 1 1 10 10 VAL CA C 7 65.683 65.683 66.806 -1.123 17835 1313 1 4 . 1 1 10 10 VAL CB C 7 31.841 31.841 31.512 0.329 17835 1314 1 4 . 1 1 10 10 VAL H H 7 8.115 8.115 8.103 0.012 17835 1315 1 4 . 1 1 11 11 SER N N 8 113.146 113.146 118.518 -5.372 17835 1316 1 4 . 1 1 11 11 SER HA H 8 4.042 4.042 4.331 -0.289 17835 1317 1 4 . 1 1 11 11 SER C C 8 176.364 176.364 176.737 -0.373 17835 1318 1 4 . 1 1 11 11 SER CA C 8 62.600 62.600 62.673 -0.073 17835 1319 1 4 . 1 1 11 11 SER CB C 8 61.596 61.596 63.166 -1.570 17835 1320 1 4 . 1 1 11 11 SER H H 8 7.796 7.796 8.322 -0.526 17835 1321 1 4 . 1 1 12 12 LYS N N 9 121.690 121.690 122.164 -0.474 17835 1322 1 4 . 1 1 12 12 LYS HA H 9 4.044 4.044 3.988 0.056 17835 1323 1 4 . 1 1 12 12 LYS C C 9 180.048 180.048 178.754 1.294 17835 1324 1 4 . 1 1 12 12 LYS CA C 9 60.002 60.002 59.782 0.220 17835 1325 1 4 . 1 1 12 12 LYS CB C 9 32.839 32.839 32.341 0.498 17835 1326 1 4 . 1 1 12 12 LYS H H 9 7.754 7.754 8.334 -0.580 17835 1327 1 4 . 1 1 13 13 MET N N 10 119.794 119.794 118.420 1.374 17835 1328 1 4 . 1 1 13 13 MET HA H 10 4.420 4.420 4.148 0.272 17835 1329 1 4 . 1 1 13 13 MET C C 10 178.151 178.151 178.188 -0.037 17835 1330 1 4 . 1 1 13 13 MET CA C 10 57.095 57.095 58.106 -1.011 17835 1331 1 4 . 1 1 13 13 MET CB C 10 31.599 31.599 31.872 -0.273 17835 1332 1 4 . 1 1 13 13 MET H H 10 8.451 8.451 8.467 -0.016 17835 1333 1 4 . 1 1 14 14 LEU N N 11 122.035 122.035 122.142 -0.107 17835 1334 1 4 . 1 1 14 14 LEU HA H 11 4.207 4.207 4.132 0.075 17835 1335 1 4 . 1 1 14 14 LEU C C 11 178.526 178.526 177.997 0.529 17835 1336 1 4 . 1 1 14 14 LEU CA C 11 58.178 58.178 59.072 -0.893 17835 1337 1 4 . 1 1 14 14 LEU CB C 11 42.148 42.148 41.661 0.487 17835 1338 1 4 . 1 1 14 14 LEU H H 11 9.301 9.301 8.896 0.405 17835 1339 1 4 . 1 1 15 15 ARG N N 12 118.150 118.150 119.419 -1.269 17835 1340 1 4 . 1 1 15 15 ARG HA H 12 3.839 3.839 3.863 -0.024 17835 1341 1 4 . 1 1 15 15 ARG C C 12 177.951 177.951 178.467 -0.516 17835 1342 1 4 . 1 1 15 15 ARG CA C 12 60.500 60.500 59.139 1.361 17835 1343 1 4 . 1 1 15 15 ARG CB C 12 29.966 29.966 29.646 0.320 17835 1344 1 4 . 1 1 15 15 ARG H H 12 8.248 8.248 8.394 -0.146 17835 1345 1 4 . 1 1 16 16 ALA N N 13 120.291 120.291 121.477 -1.186 17835 1346 1 4 . 1 1 16 16 ALA HA H 13 4.150 4.150 4.126 0.024 17835 1347 1 4 . 1 1 16 16 ALA C C 13 181.072 181.072 179.889 1.183 17835 1348 1 4 . 1 1 16 16 ALA CA C 13 55.371 55.371 54.926 0.445 17835 1349 1 4 . 1 1 16 16 ALA CB C 13 17.845 17.845 18.311 -0.466 17835 1350 1 4 . 1 1 16 16 ALA H H 13 7.587 7.587 8.267 -0.680 17835 1351 1 4 . 1 1 17 17 VAL N N 14 119.183 119.183 119.318 -0.135 17835 1352 1 4 . 1 1 17 17 VAL HA H 14 3.858 3.858 3.313 0.545 17835 1353 1 4 . 1 1 17 17 VAL C C 14 178.531 178.531 177.995 0.536 17835 1354 1 4 . 1 1 17 17 VAL CA C 14 65.552 65.552 66.818 -1.266 17835 1355 1 4 . 1 1 17 17 VAL CB C 14 32.190 32.190 31.595 0.595 17835 1356 1 4 . 1 1 17 17 VAL H H 14 8.324 8.324 7.970 0.354 17835 1357 1 4 . 1 1 18 18 LEU N N 15 120.498 120.498 118.607 1.891 17835 1358 1 4 . 1 1 18 18 LEU HA H 15 3.985 3.985 3.974 0.011 17835 1359 1 4 . 1 1 18 18 LEU C C 15 179.935 179.935 179.652 0.283 17835 1360 1 4 . 1 1 18 18 LEU CA C 15 58.474 58.474 57.508 0.966 17835 1361 1 4 . 1 1 18 18 LEU CB C 15 41.885 41.885 41.541 0.344 17835 1362 1 4 . 1 1 18 18 LEU H H 15 8.388 8.388 8.030 0.358 17835 1363 1 4 . 1 1 19 19 GLN N N 16 117.835 117.835 117.796 0.039 17835 1364 1 4 . 1 1 19 19 GLN HA H 16 3.981 3.981 4.110 -0.129 17835 1365 1 4 . 1 1 19 19 GLN C C 16 177.304 177.304 178.299 -0.995 17835 1366 1 4 . 1 1 19 19 GLN CA C 16 58.668 58.668 58.049 0.619 17835 1367 1 4 . 1 1 19 19 GLN CB C 16 28.274 28.274 28.489 -0.215 17835 1368 1 4 . 1 1 19 19 GLN H H 16 8.689 8.689 7.930 0.759 17835 1369 1 4 . 1 1 20 20 SER N N 17 111.043 111.043 115.184 -4.141 17835 1370 1 4 . 1 1 20 20 SER HA H 17 4.386 4.386 4.321 0.065 17835 1371 1 4 . 1 1 20 20 SER C C 17 173.630 173.630 176.191 -2.561 17835 1372 1 4 . 1 1 20 20 SER CA C 17 59.252 59.252 60.877 -1.625 17835 1373 1 4 . 1 1 20 20 SER CB C 17 63.600 63.600 63.679 -0.079 17835 1374 1 4 . 1 1 20 20 SER H H 17 7.461 7.461 8.049 -0.588 17835 1375 1 4 . 1 1 21 21 HIS N N 18 121.324 121.324 119.939 1.385 17835 1376 1 4 . 1 1 21 21 HIS HA H 18 4.824 4.824 4.860 -0.036 17835 1377 1 4 . 1 1 21 21 HIS C C 18 174.835 174.835 175.035 -0.200 17835 1378 1 4 . 1 1 21 21 HIS CA C 18 54.386 54.386 52.533 1.853 17835 1379 1 4 . 1 1 21 21 HIS CB C 18 28.657 28.657 27.739 0.918 17835 1380 1 4 . 1 1 21 21 HIS H H 18 7.692 7.692 7.935 -0.243 17835 1381 1 4 . 1 1 22 22 LYS N N 19 123.925 123.925 121.094 2.831 17835 1382 1 4 . 1 1 22 22 LYS HA H 19 4.161 4.161 4.124 0.037 17835 1383 1 4 . 1 1 22 22 LYS C C 19 177.562 177.562 177.577 -0.015 17835 1384 1 4 . 1 1 22 22 LYS CA C 19 59.316 59.316 58.547 0.769 17835 1385 1 4 . 1 1 22 22 LYS CB C 19 32.202 32.202 31.930 0.272 17835 1386 1 4 . 1 1 22 22 LYS H H 19 8.809 8.809 7.653 1.156 17835 1387 1 4 . 1 1 23 23 ASN N N 20 115.473 115.473 116.839 -1.366 17835 1388 1 4 . 1 1 23 23 ASN HA H 20 5.073 5.073 4.677 0.396 17835 1389 1 4 . 1 1 23 23 ASN C C 20 174.783 174.783 175.592 -0.809 17835 1390 1 4 . 1 1 23 23 ASN CA C 20 52.835 52.835 53.660 -0.825 17835 1391 1 4 . 1 1 23 23 ASN CB C 20 38.540 38.540 38.997 -0.457 17835 1392 1 4 . 1 1 23 23 ASN H H 20 8.784 8.784 8.263 0.521 17835 1393 1 4 . 1 1 24 24 GLY N N 21 107.402 107.402 107.420 -0.018 17835 1394 1 4 . 1 1 24 24 GLY C C 21 172.572 172.572 172.986 -0.414 17835 1395 1 4 . 1 1 24 24 GLY CA C 21 44.739 44.739 44.369 0.370 17835 1396 1 4 . 1 1 24 24 GLY H H 21 7.743 7.743 7.856 -0.113 17835 1397 1 4 . 1 1 25 25 ILE N N 22 117.796 117.796 115.552 2.244 17835 1398 1 4 . 1 1 25 25 ILE HA H 22 4.272 4.272 4.673 -0.401 17835 1399 1 4 . 1 1 25 25 ILE C C 22 175.452 175.452 175.095 0.357 17835 1400 1 4 . 1 1 25 25 ILE CA C 22 59.468 59.468 59.256 0.212 17835 1401 1 4 . 1 1 25 25 ILE CB C 22 41.833 41.833 40.391 1.442 17835 1402 1 4 . 1 1 25 25 ILE H H 22 8.509 8.509 8.064 0.445 17835 1403 1 4 . 1 1 26 26 VAL N N 23 124.597 124.597 121.639 2.958 17835 1404 1 4 . 1 1 26 26 VAL HA H 23 4.585 4.585 4.514 0.071 17835 1405 1 4 . 1 1 26 26 VAL C C 23 177.566 177.566 177.643 -0.077 17835 1406 1 4 . 1 1 26 26 VAL CA C 23 62.227 62.227 62.166 0.061 17835 1407 1 4 . 1 1 26 26 VAL CB C 23 31.945 31.945 32.295 -0.350 17835 1408 1 4 . 1 1 26 26 VAL H H 23 8.524 8.524 8.281 0.243 17835 1409 1 4 . 1 1 27 27 LEU N N 24 124.858 124.858 121.722 3.136 17835 1410 1 4 . 1 1 27 27 LEU HA H 24 4.011 4.011 4.336 -0.325 17835 1411 1 4 . 1 1 27 27 LEU C C 24 175.569 175.569 176.591 -1.022 17835 1412 1 4 . 1 1 27 27 LEU CA C 24 60.394 60.394 58.903 1.491 17835 1413 1 4 . 1 1 27 27 LEU CB C 24 39.402 39.402 38.855 0.548 17835 1414 1 4 . 1 1 27 27 LEU H H 24 8.816 8.816 8.227 0.589 17835 1415 1 4 . 1 1 28 28 PRO HA H 25 4.401 4.401 4.279 0.122 17835 1416 1 4 . 1 1 28 28 PRO C C 25 177.600 177.600 179.256 -1.656 17835 1417 1 4 . 1 1 28 28 PRO CA C 25 65.549 65.549 65.838 -0.289 17835 1418 1 4 . 1 1 28 28 PRO CB C 25 31.458 31.458 30.855 0.603 17835 1419 1 4 . 1 1 29 29 ARG N N 26 115.136 115.136 119.332 -4.196 17835 1420 1 4 . 1 1 29 29 ARG HA H 26 4.511 4.511 4.120 0.391 17835 1421 1 4 . 1 1 29 29 ARG C C 26 177.152 177.152 178.205 -1.053 17835 1422 1 4 . 1 1 29 29 ARG CA C 26 55.853 55.853 59.336 -3.482 17835 1423 1 4 . 1 1 29 29 ARG CB C 26 30.981 30.981 29.982 1.000 17835 1424 1 4 . 1 1 29 29 ARG H H 26 7.869 7.869 7.807 0.062 17835 1425 1 4 . 1 1 30 30 LEU N N 27 122.984 122.984 121.890 1.094 17835 1426 1 4 . 1 1 30 30 LEU HA H 27 3.842 3.842 3.986 -0.144 17835 1427 1 4 . 1 1 30 30 LEU C C 27 177.872 177.872 178.495 -0.623 17835 1428 1 4 . 1 1 30 30 LEU CA C 27 59.458 59.458 58.659 0.799 17835 1429 1 4 . 1 1 30 30 LEU CB C 27 42.326 42.326 41.377 0.949 17835 1430 1 4 . 1 1 30 30 LEU H H 27 7.870 7.870 8.667 -0.797 17835 1431 1 4 . 1 1 31 31 GLN N N 28 117.382 117.382 117.796 -0.414 17835 1432 1 4 . 1 1 31 31 GLN HA H 28 4.689 4.689 4.058 0.631 17835 1433 1 4 . 1 1 31 31 GLN C C 28 178.888 178.888 179.090 -0.202 17835 1434 1 4 . 1 1 31 31 GLN CA C 28 60.243 60.243 59.680 0.563 17835 1435 1 4 . 1 1 31 31 GLN CB C 28 27.811 27.811 28.436 -0.625 17835 1436 1 4 . 1 1 31 31 GLN H H 28 9.217 9.217 8.121 1.096 17835 1437 1 4 . 1 1 32 32 GLY N N 29 105.066 105.066 108.172 -3.106 17835 1438 1 4 . 1 1 32 32 GLY C C 29 177.579 177.579 176.565 1.014 17835 1439 1 4 . 1 1 32 32 GLY CA C 29 47.254 47.254 47.409 -0.155 17835 1440 1 4 . 1 1 32 32 GLY H H 29 8.680 8.680 8.688 -0.008 17835 1441 1 4 . 1 1 33 33 GLU N N 30 121.593 121.593 122.967 -1.374 17835 1442 1 4 . 1 1 33 33 GLU HA H 30 4.274 4.274 4.199 0.075 17835 1443 1 4 . 1 1 33 33 GLU C C 30 179.316 179.316 178.955 0.361 17835 1444 1 4 . 1 1 33 33 GLU CA C 30 59.068 59.068 58.541 0.527 17835 1445 1 4 . 1 1 33 33 GLU CB C 30 29.077 29.077 29.408 -0.331 17835 1446 1 4 . 1 1 33 33 GLU H H 30 8.063 8.063 8.320 -0.257 17835 1447 1 4 . 1 1 34 34 TYR N N 31 123.143 123.143 122.294 0.849 17835 1448 1 4 . 1 1 34 34 TYR HA H 31 4.083 4.083 4.063 0.020 17835 1449 1 4 . 1 1 34 34 TYR C C 31 178.379 178.379 177.272 1.107 17835 1450 1 4 . 1 1 34 34 TYR CA C 31 62.406 62.406 61.597 0.808 17835 1451 1 4 . 1 1 34 34 TYR CB C 31 39.405 39.405 38.487 0.918 17835 1452 1 4 . 1 1 34 34 TYR H H 31 9.063 9.063 8.804 0.259 17835 1453 1 4 . 1 1 35 35 ARG N N 32 123.458 123.458 119.609 3.849 17835 1454 1 4 . 1 1 35 35 ARG HA H 32 4.281 4.281 3.937 0.344 17835 1455 1 4 . 1 1 35 35 ARG C C 32 180.186 180.186 178.886 1.300 17835 1456 1 4 . 1 1 35 35 ARG CA C 32 58.908 58.908 58.426 0.482 17835 1457 1 4 . 1 1 35 35 ARG CB C 32 29.708 29.708 29.506 0.202 17835 1458 1 4 . 1 1 35 35 ARG H H 32 9.321 9.321 8.550 0.771 17835 1459 1 4 . 1 1 36 36 SER N N 33 116.071 116.071 116.011 0.060 17835 1460 1 4 . 1 1 36 36 SER HA H 33 4.048 4.048 4.094 -0.046 17835 1461 1 4 . 1 1 36 36 SER C C 33 175.063 175.063 176.103 -1.040 17835 1462 1 4 . 1 1 36 36 SER CA C 33 61.856 61.856 61.586 0.270 17835 1463 1 4 . 1 1 36 36 SER CB C 33 62.779 62.779 62.841 -0.062 17835 1464 1 4 . 1 1 36 36 SER H H 33 8.078 8.078 7.895 0.183 17835 1465 1 4 . 1 1 37 37 LEU N N 34 118.571 118.571 122.373 -3.802 17835 1466 1 4 . 1 1 37 37 LEU HA H 34 4.342 4.342 4.167 0.175 17835 1467 1 4 . 1 1 37 37 LEU C C 34 178.400 178.400 178.619 -0.219 17835 1468 1 4 . 1 1 37 37 LEU CA C 34 57.073 57.073 57.463 -0.390 17835 1469 1 4 . 1 1 37 37 LEU CB C 34 43.132 43.132 42.213 0.919 17835 1470 1 4 . 1 1 37 37 LEU H H 34 7.167 7.167 7.627 -0.460 17835 1471 1 4 . 1 1 38 38 THR N N 35 106.425 106.425 109.560 -3.135 17835 1472 1 4 . 1 1 38 38 THR HA H 35 4.163 4.163 4.033 0.130 17835 1473 1 4 . 1 1 38 38 THR C C 35 176.259 176.259 175.920 0.339 17835 1474 1 4 . 1 1 38 38 THR CA C 35 62.637 62.637 62.766 -0.128 17835 1475 1 4 . 1 1 38 38 THR CB C 35 71.659 71.659 69.674 1.985 17835 1476 1 4 . 1 1 38 38 THR H H 35 8.168 8.168 7.805 0.363 17835 1477 1 4 . 1 1 39 39 GLY N N 36 112.162 112.162 112.140 0.022 17835 1478 1 4 . 1 1 39 39 GLY C C 36 172.464 172.464 172.805 -0.341 17835 1479 1 4 . 1 1 39 39 GLY CA C 36 45.225 45.225 45.050 0.175 17835 1480 1 4 . 1 1 39 39 GLY H H 36 8.759 8.759 7.970 0.789 17835 1481 1 4 . 1 1 40 40 ASP N N 37 121.106 121.106 118.627 2.479 17835 1482 1 4 . 1 1 40 40 ASP HA H 37 4.733 4.733 4.719 0.014 17835 1483 1 4 . 1 1 40 40 ASP C C 37 173.861 173.861 174.126 -0.265 17835 1484 1 4 . 1 1 40 40 ASP CA C 37 52.159 52.159 51.980 0.179 17835 1485 1 4 . 1 1 40 40 ASP CB C 37 44.573 44.573 43.519 1.054 17835 1486 1 4 . 1 1 40 40 ASP H H 37 8.414 8.414 7.499 0.915 17835 1487 1 4 . 1 1 41 41 TRP N N 38 115.206 115.206 120.410 -5.204 17835 1488 1 4 . 1 1 41 41 TRP HA H 38 5.107 5.107 4.889 0.218 17835 1489 1 4 . 1 1 41 41 TRP C C 38 177.125 177.125 177.855 -0.730 17835 1490 1 4 . 1 1 41 41 TRP CA C 38 54.889 54.889 56.456 -1.567 17835 1491 1 4 . 1 1 41 41 TRP CB C 38 31.592 31.592 30.755 0.837 17835 1492 1 4 . 1 1 41 41 TRP H H 38 8.016 8.016 8.376 -0.360 17835 1493 1 4 . 1 1 42 42 ILE N N 39 123.723 123.723 123.581 0.142 17835 1494 1 4 . 1 1 42 42 ILE HA H 39 3.512 3.512 3.768 -0.256 17835 1495 1 4 . 1 1 42 42 ILE C C 39 177.199 177.199 176.246 0.953 17835 1496 1 4 . 1 1 42 42 ILE CA C 39 60.467 60.467 61.414 -0.947 17835 1497 1 4 . 1 1 42 42 ILE CB C 39 38.133 38.133 37.834 0.298 17835 1498 1 4 . 1 1 42 42 ILE H H 39 10.079 10.079 9.241 0.838 17835 1499 1 4 . 1 1 43 43 PRO HA H 40 4.600 4.600 4.701 -0.101 17835 1500 1 4 . 1 1 43 43 PRO C C 40 174.997 174.997 176.744 -1.747 17835 1501 1 4 . 1 1 43 43 PRO CA C 40 62.511 62.511 62.407 0.104 17835 1502 1 4 . 1 1 43 43 PRO CB C 40 27.857 27.857 29.294 -1.437 17835 1503 1 4 . 1 1 44 44 PHE N N 41 118.808 118.808 120.267 -1.459 17835 1504 1 4 . 1 1 44 44 PHE HA H 41 3.737 3.737 4.191 -0.454 17835 1505 1 4 . 1 1 44 44 PHE C C 41 175.891 175.891 176.779 -0.888 17835 1506 1 4 . 1 1 44 44 PHE CA C 41 60.911 60.911 61.744 -0.833 17835 1507 1 4 . 1 1 44 44 PHE CB C 41 38.412 38.412 37.627 0.785 17835 1508 1 4 . 1 1 44 44 PHE H H 41 7.647 7.647 7.880 -0.233 17835 1509 1 4 . 1 1 45 45 LYS N N 42 123.543 123.543 119.963 3.580 17835 1510 1 4 . 1 1 45 45 LYS HA H 42 4.763 4.763 4.090 0.673 17835 1511 1 4 . 1 1 45 45 LYS C C 42 181.828 181.828 178.640 3.188 17835 1512 1 4 . 1 1 45 45 LYS CA C 42 58.959 58.959 58.811 0.148 17835 1513 1 4 . 1 1 45 45 LYS CB C 42 31.599 31.599 31.610 -0.011 17835 1514 1 4 . 1 1 45 45 LYS H H 42 7.387 7.387 7.284 0.103 17835 1515 1 4 . 1 1 46 46 GLN N N 43 123.171 123.171 118.033 5.138 17835 1516 1 4 . 1 1 46 46 GLN HA H 43 3.896 3.896 4.014 -0.118 17835 1517 1 4 . 1 1 46 46 GLN C C 43 178.167 178.167 177.916 0.251 17835 1518 1 4 . 1 1 46 46 GLN CA C 43 59.066 59.066 58.360 0.706 17835 1519 1 4 . 1 1 46 46 GLN CB C 43 27.702 27.702 28.231 -0.529 17835 1520 1 4 . 1 1 46 46 GLN H H 43 8.567 8.567 7.786 0.781 17835 1521 1 4 . 1 1 47 47 LEU N N 44 116.472 116.472 118.522 -2.050 17835 1522 1 4 . 1 1 47 47 LEU HA H 44 4.255 4.255 4.189 0.066 17835 1523 1 4 . 1 1 47 47 LEU C C 44 176.103 176.103 178.113 -2.010 17835 1524 1 4 . 1 1 47 47 LEU CA C 44 55.308 55.308 56.093 -0.785 17835 1525 1 4 . 1 1 47 47 LEU CB C 44 41.374 41.374 42.861 -1.487 17835 1526 1 4 . 1 1 47 47 LEU H H 44 7.544 7.544 8.241 -0.697 17835 1527 1 4 . 1 1 48 48 GLY N N 45 104.932 104.932 103.787 1.145 17835 1528 1 4 . 1 1 48 48 GLY C C 45 173.844 173.844 174.403 -0.559 17835 1529 1 4 . 1 1 48 48 GLY CA C 45 44.826 44.826 44.416 0.410 17835 1530 1 4 . 1 1 48 48 GLY H H 45 7.741 7.741 7.925 -0.184 17835 1531 1 4 . 1 1 49 49 TYR N N 46 119.946 119.946 121.116 -1.170 17835 1532 1 4 . 1 1 49 49 TYR HA H 46 4.839 4.839 4.862 -0.023 17835 1533 1 4 . 1 1 49 49 TYR C C 46 174.575 174.575 174.965 -0.390 17835 1534 1 4 . 1 1 49 49 TYR CA C 46 56.349 56.349 56.033 0.316 17835 1535 1 4 . 1 1 49 49 TYR CB C 46 41.464 41.464 38.444 3.020 17835 1536 1 4 . 1 1 49 49 TYR H H 46 8.332 8.332 7.940 0.392 17835 1537 1 4 . 1 1 50 50 PRO HA H 47 4.556 4.556 4.537 0.019 17835 1538 1 4 . 1 1 50 50 PRO C C 47 177.125 177.125 176.223 0.902 17835 1539 1 4 . 1 1 50 50 PRO CA C 47 64.115 64.115 64.960 -0.845 17835 1540 1 4 . 1 1 50 50 PRO CB C 47 32.152 32.152 31.899 0.253 17835 1541 1 4 . 1 1 51 51 THR N N 48 105.643 105.643 107.270 -1.627 17835 1542 1 4 . 1 1 51 51 THR HA H 48 4.129 4.129 4.345 -0.216 17835 1543 1 4 . 1 1 51 51 THR C C 48 173.270 173.270 174.528 -1.258 17835 1544 1 4 . 1 1 51 51 THR CA C 48 58.738 58.738 59.889 -1.151 17835 1545 1 4 . 1 1 51 51 THR CB C 48 73.254 73.254 71.543 1.711 17835 1546 1 4 . 1 1 51 51 THR H H 48 6.939 6.939 7.679 -0.740 17835 1547 1 4 . 1 1 52 52 LEU N N 49 121.743 121.743 122.840 -1.097 17835 1548 1 4 . 1 1 52 52 LEU HA H 49 3.325 3.325 3.911 -0.586 17835 1549 1 4 . 1 1 52 52 LEU C C 49 178.195 178.195 178.652 -0.457 17835 1550 1 4 . 1 1 52 52 LEU CA C 49 57.551 57.551 57.594 -0.043 17835 1551 1 4 . 1 1 52 52 LEU CB C 49 40.517 40.517 40.564 -0.047 17835 1552 1 4 . 1 1 52 52 LEU H H 49 7.849 7.849 8.159 -0.310 17835 1553 1 4 . 1 1 53 53 GLU N N 50 118.706 118.706 119.093 -0.387 17835 1554 1 4 . 1 1 53 53 GLU HA H 50 3.411 3.411 3.883 -0.472 17835 1555 1 4 . 1 1 53 53 GLU C C 50 176.853 176.853 178.520 -1.667 17835 1556 1 4 . 1 1 53 53 GLU CA C 50 60.720 60.720 59.407 1.313 17835 1557 1 4 . 1 1 53 53 GLU CB C 50 28.696 28.696 28.722 -0.026 17835 1558 1 4 . 1 1 53 53 GLU H H 50 8.981 8.981 8.732 0.249 17835 1559 1 4 . 1 1 54 54 ALA N N 51 119.673 119.673 122.678 -3.005 17835 1560 1 4 . 1 1 54 54 ALA HA H 51 3.885 3.885 4.019 -0.134 17835 1561 1 4 . 1 1 54 54 ALA C C 51 180.232 180.232 179.423 0.809 17835 1562 1 4 . 1 1 54 54 ALA CA C 51 55.127 55.127 55.079 0.048 17835 1563 1 4 . 1 1 54 54 ALA CB C 51 18.345 18.345 18.469 -0.124 17835 1564 1 4 . 1 1 54 54 ALA H H 51 8.001 8.001 7.886 0.115 17835 1565 1 4 . 1 1 55 55 TYR N N 52 117.474 117.474 120.410 -2.936 17835 1566 1 4 . 1 1 55 55 TYR HA H 52 2.898 2.898 3.270 -0.372 17835 1567 1 4 . 1 1 55 55 TYR C C 52 178.563 178.563 177.664 0.899 17835 1568 1 4 . 1 1 55 55 TYR CA C 52 59.876 59.876 61.268 -1.392 17835 1569 1 4 . 1 1 55 55 TYR CB C 52 37.365 37.365 38.216 -0.851 17835 1570 1 4 . 1 1 55 55 TYR H H 52 7.218 7.218 8.025 -0.807 17835 1571 1 4 . 1 1 56 56 LEU N N 53 121.106 121.106 118.395 2.711 17835 1572 1 4 . 1 1 56 56 LEU HA H 53 3.221 3.221 3.604 -0.383 17835 1573 1 4 . 1 1 56 56 LEU C C 53 179.706 179.706 179.251 0.455 17835 1574 1 4 . 1 1 56 56 LEU CA C 53 57.334 57.334 57.545 -0.211 17835 1575 1 4 . 1 1 56 56 LEU CB C 53 40.788 40.788 41.516 -0.728 17835 1576 1 4 . 1 1 56 56 LEU H H 53 8.440 8.440 8.267 0.173 17835 1577 1 4 . 1 1 57 57 ARG N N 54 116.303 116.303 119.940 -3.637 17835 1578 1 4 . 1 1 57 57 ARG HA H 54 3.722 3.722 4.006 -0.284 17835 1579 1 4 . 1 1 57 57 ARG C C 54 176.071 176.071 177.779 -1.708 17835 1580 1 4 . 1 1 57 57 ARG CA C 54 58.463 58.463 58.633 -0.170 17835 1581 1 4 . 1 1 57 57 ARG CB C 54 29.735 29.735 29.926 -0.191 17835 1582 1 4 . 1 1 57 57 ARG H H 54 7.998 7.998 8.609 -0.611 17835 1583 1 4 . 1 1 58 58 SER N N 55 115.365 115.365 113.574 1.791 17835 1584 1 4 . 1 1 58 58 SER HA H 55 4.357 4.357 4.382 -0.025 17835 1585 1 4 . 1 1 58 58 SER C C 55 173.970 173.970 174.047 -0.077 17835 1586 1 4 . 1 1 58 58 SER CA C 55 59.762 59.762 60.016 -0.254 17835 1587 1 4 . 1 1 58 58 SER CB C 55 63.886 63.886 63.367 0.519 17835 1588 1 4 . 1 1 58 58 SER H H 55 7.491 7.491 7.516 -0.025 17835 1589 1 4 . 1 1 59 59 VAL N N 56 113.059 113.059 121.001 -7.942 17835 1590 1 4 . 1 1 59 59 VAL HA H 56 5.090 5.090 4.623 0.467 17835 1591 1 4 . 1 1 59 59 VAL C C 56 174.276 174.276 173.907 0.369 17835 1592 1 4 . 1 1 59 59 VAL CA C 56 58.444 58.444 58.789 -0.345 17835 1593 1 4 . 1 1 59 59 VAL CB C 56 31.559 31.559 32.754 -1.195 17835 1594 1 4 . 1 1 59 59 VAL H H 56 6.729 6.729 7.184 -0.455 17835 1595 1 4 . 1 1 60 60 PRO HA H 57 4.902 4.902 4.766 0.136 17835 1596 1 4 . 1 1 60 60 PRO C C 57 177.563 177.563 177.316 0.247 17835 1597 1 4 . 1 1 60 60 PRO CA C 57 64.541 64.541 64.509 0.032 17835 1598 1 4 . 1 1 60 60 PRO CB C 57 31.768 31.768 31.667 0.101 17835 1599 1 4 . 1 1 61 61 ALA N N 58 120.004 120.004 120.104 -0.100 17835 1600 1 4 . 1 1 61 61 ALA HA H 58 4.327 4.327 4.274 0.053 17835 1601 1 4 . 1 1 61 61 ALA C C 58 177.191 177.191 177.861 -0.670 17835 1602 1 4 . 1 1 61 61 ALA CA C 58 52.795 52.795 53.580 -0.785 17835 1603 1 4 . 1 1 61 61 ALA CB C 58 18.427 18.427 19.325 -0.898 17835 1604 1 4 . 1 1 61 61 ALA H H 58 8.397 8.397 8.057 0.340 17835 1605 1 4 . 1 1 62 62 VAL N N 59 116.635 116.635 113.164 3.471 17835 1606 1 4 . 1 1 62 62 VAL HA H 59 4.032 4.032 4.434 -0.402 17835 1607 1 4 . 1 1 62 62 VAL C C 59 174.238 174.238 175.056 -0.818 17835 1608 1 4 . 1 1 62 62 VAL CA C 59 63.741 63.741 63.065 0.676 17835 1609 1 4 . 1 1 62 62 VAL CB C 59 34.115 34.115 34.813 -0.698 17835 1610 1 4 . 1 1 62 62 VAL H H 59 8.080 8.080 7.644 0.436 17835 1611 1 4 . 1 1 63 63 VAL N N 60 117.153 117.153 119.303 -2.150 17835 1612 1 4 . 1 1 63 63 VAL HA H 60 4.911 4.911 4.703 0.208 17835 1613 1 4 . 1 1 63 63 VAL C C 60 172.258 172.258 173.788 -1.530 17835 1614 1 4 . 1 1 63 63 VAL CA C 60 59.006 59.006 60.542 -1.536 17835 1615 1 4 . 1 1 63 63 VAL CB C 60 35.461 35.461 36.127 -0.666 17835 1616 1 4 . 1 1 63 63 VAL H H 60 7.791 7.791 8.191 -0.400 17835 1617 1 4 . 1 1 64 64 ARG N N 61 129.658 129.658 121.336 8.322 17835 1618 1 4 . 1 1 64 64 ARG HA H 61 4.727 4.727 4.678 0.049 17835 1619 1 4 . 1 1 64 64 ARG C C 61 174.437 174.437 173.603 0.834 17835 1620 1 4 . 1 1 64 64 ARG CA C 61 54.117 54.117 55.455 -1.338 17835 1621 1 4 . 1 1 64 64 ARG CB C 61 32.754 32.754 34.416 -1.662 17835 1622 1 4 . 1 1 64 64 ARG H H 61 9.208 9.208 9.007 0.201 17835 1623 1 4 . 1 1 65 65 ILE N N 62 125.775 125.775 117.972 7.803 17835 1624 1 4 . 1 1 65 65 ILE HA H 62 4.917 4.917 5.365 -0.448 17835 1625 1 4 . 1 1 65 65 ILE C C 62 175.842 175.842 174.545 1.297 17835 1626 1 4 . 1 1 65 65 ILE CA C 62 59.545 59.545 59.830 -0.285 17835 1627 1 4 . 1 1 65 65 ILE CB C 62 39.645 39.645 42.454 -2.809 17835 1628 1 4 . 1 1 65 65 ILE H H 62 8.736 8.736 8.312 0.424 17835 1629 1 4 . 1 1 66 66 GLU N N 63 127.114 127.114 123.014 4.100 17835 1630 1 4 . 1 1 66 66 GLU HA H 63 4.677 4.677 4.710 -0.033 17835 1631 1 4 . 1 1 66 66 GLU C C 63 174.409 174.409 175.389 -0.980 17835 1632 1 4 . 1 1 66 66 GLU CA C 63 54.791 54.791 55.202 -0.411 17835 1633 1 4 . 1 1 66 66 GLU CB C 63 33.078 33.078 32.082 0.996 17835 1634 1 4 . 1 1 66 66 GLU H H 63 9.197 9.197 9.091 0.106 17835 1635 1 4 . 1 1 67 67 ALA N N 64 127.913 127.913 130.084 -2.171 17835 1636 1 4 . 1 1 67 67 ALA HA H 64 5.026 5.026 4.662 0.364 17835 1637 1 4 . 1 1 67 67 ALA C C 64 177.717 177.717 177.236 0.481 17835 1638 1 4 . 1 1 67 67 ALA CA C 64 51.070 51.070 51.713 -0.643 17835 1639 1 4 . 1 1 67 67 ALA CB C 64 19.550 19.550 18.740 0.810 17835 1640 1 4 . 1 1 67 67 ALA H H 64 8.779 8.779 8.683 0.096 17835 1641 1 4 . 1 1 68 68 SER N N 65 119.364 119.364 120.168 -0.804 17835 1642 1 4 . 1 1 68 68 SER HA H 65 4.665 4.665 4.491 0.174 17835 1643 1 4 . 1 1 68 68 SER C C 65 176.518 176.518 176.691 -0.173 17835 1644 1 4 . 1 1 68 68 SER CA C 65 57.096 57.096 57.005 0.090 17835 1645 1 4 . 1 1 68 68 SER CB C 65 65.234 65.234 64.085 1.149 17835 1646 1 4 . 1 1 68 68 SER H H 65 8.951 8.951 8.568 0.383 17835 1647 1 4 . 1 1 69 69 ARG N N 66 123.143 123.143 126.057 -2.914 17835 1648 1 4 . 1 1 69 69 ARG HA H 66 4.153 4.153 4.182 -0.029 17835 1649 1 4 . 1 1 69 69 ARG C C 66 177.356 177.356 176.600 0.756 17835 1650 1 4 . 1 1 69 69 ARG CA C 66 58.973 58.973 57.626 1.347 17835 1651 1 4 . 1 1 69 69 ARG CB C 66 29.659 29.659 29.610 0.049 17835 1652 1 4 . 1 1 69 69 ARG H H 66 9.075 9.075 8.901 0.174 17835 1653 1 4 . 1 1 70 70 SER N N 67 112.081 112.081 115.768 -3.687 17835 1654 1 4 . 1 1 70 70 SER HA H 67 4.416 4.416 4.406 0.010 17835 1655 1 4 . 1 1 70 70 SER C C 67 175.146 175.146 175.367 -0.221 17835 1656 1 4 . 1 1 70 70 SER CA C 67 58.413 58.413 58.301 0.112 17835 1657 1 4 . 1 1 70 70 SER CB C 67 63.477 63.477 63.498 -0.021 17835 1658 1 4 . 1 1 70 70 SER H H 67 8.083 8.083 7.734 0.349 17835 1659 1 4 . 1 1 71 71 GLY N N 68 110.519 110.519 109.409 1.110 17835 1660 1 4 . 1 1 71 71 GLY C C 68 174.116 174.116 173.564 0.552 17835 1661 1 4 . 1 1 71 71 GLY CA C 68 45.114 45.114 45.266 -0.152 17835 1662 1 4 . 1 1 71 71 GLY H H 68 7.974 7.974 7.877 0.097 17835 1663 1 4 . 1 1 72 72 GLU N N 69 120.663 120.663 119.003 1.660 17835 1664 1 4 . 1 1 72 72 GLU HA H 69 4.289 4.289 4.678 -0.389 17835 1665 1 4 . 1 1 72 72 GLU C C 69 175.352 175.352 174.705 0.647 17835 1666 1 4 . 1 1 72 72 GLU CA C 69 56.082 56.082 54.441 1.641 17835 1667 1 4 . 1 1 72 72 GLU CB C 69 30.517 30.517 33.157 -2.640 17835 1668 1 4 . 1 1 72 72 GLU H H 69 7.630 7.630 7.814 -0.184 17835 1669 1 4 . 1 1 73 73 ILE N N 70 125.775 125.775 121.990 3.785 17835 1670 1 4 . 1 1 73 73 ILE HA H 70 4.367 4.367 4.934 -0.567 17835 1671 1 4 . 1 1 73 73 ILE C C 70 174.613 174.613 173.754 0.859 17835 1672 1 4 . 1 1 73 73 ILE CA C 70 60.876 60.876 59.455 1.421 17835 1673 1 4 . 1 1 73 73 ILE CB C 70 37.465 37.465 41.264 -3.799 17835 1674 1 4 . 1 1 73 73 ILE H H 70 8.753 8.753 8.434 0.319 17835 1675 1 4 . 1 1 74 74 VAL N N 71 128.300 128.300 127.647 0.653 17835 1676 1 4 . 1 1 74 74 VAL HA H 71 4.153 4.153 4.444 -0.291 17835 1677 1 4 . 1 1 74 74 VAL C C 71 173.544 173.544 174.616 -1.072 17835 1678 1 4 . 1 1 74 74 VAL CA C 71 61.736 61.736 60.361 1.375 17835 1679 1 4 . 1 1 74 74 VAL CB C 71 33.763 33.763 33.790 -0.027 17835 1680 1 4 . 1 1 74 74 VAL H H 71 8.724 8.724 8.823 -0.099 17835 1681 1 4 . 1 1 75 75 CYS N N 72 122.823 122.823 125.053 -2.230 17835 1682 1 4 . 1 1 75 75 CYS HA H 72 4.948 4.948 4.967 -0.019 17835 1683 1 4 . 1 1 75 75 CYS C C 72 173.200 173.200 173.810 -0.610 17835 1684 1 4 . 1 1 75 75 CYS CA C 72 57.176 57.176 58.097 -0.921 17835 1685 1 4 . 1 1 75 75 CYS CB C 72 29.712 29.712 29.346 0.366 17835 1686 1 4 . 1 1 75 75 CYS H H 72 8.200 8.200 8.657 -0.457 17835 1687 1 4 . 1 1 76 76 TYR N N 73 119.584 119.584 119.058 0.526 17835 1688 1 4 . 1 1 76 76 TYR HA H 73 5.013 5.013 4.758 0.255 17835 1689 1 4 . 1 1 76 76 TYR C C 73 175.779 175.779 174.816 0.963 17835 1690 1 4 . 1 1 76 76 TYR CA C 73 56.289 56.289 57.139 -0.850 17835 1691 1 4 . 1 1 76 76 TYR CB C 73 42.505 42.505 43.065 -0.560 17835 1692 1 4 . 1 1 76 76 TYR H H 73 9.265 9.265 9.266 -0.001 17835 1693 1 4 . 1 1 77 77 ALA N N 74 122.844 122.844 121.873 0.971 17835 1694 1 4 . 1 1 77 77 ALA HA H 74 4.423 4.423 4.589 -0.166 17835 1695 1 4 . 1 1 77 77 ALA C C 74 177.907 177.907 175.742 2.165 17835 1696 1 4 . 1 1 77 77 ALA CA C 74 52.151 52.151 51.356 0.795 17835 1697 1 4 . 1 1 77 77 ALA CB C 74 18.915 18.915 20.648 -1.733 17835 1698 1 4 . 1 1 77 77 ALA H H 74 9.145 9.145 8.939 0.206 17835 1699 1 4 . 1 1 78 78 VAL N N 75 123.434 123.434 116.812 6.622 17835 1700 1 4 . 1 1 78 78 VAL HA H 75 3.826 3.826 4.336 -0.510 17835 1701 1 4 . 1 1 78 78 VAL C C 75 174.995 174.995 174.662 0.333 17835 1702 1 4 . 1 1 78 78 VAL CA C 75 63.379 63.379 61.963 1.416 17835 1703 1 4 . 1 1 78 78 VAL CB C 75 32.715 32.715 34.950 -2.235 17835 1704 1 4 . 1 1 78 78 VAL H H 75 7.894 7.894 8.689 -0.795 17835 1705 1 5 . 1 1 5 5 LEU N N 2 124.907 124.907 122.138 2.769 17835 1706 1 5 . 1 1 5 5 LEU HA H 2 4.299 4.299 4.342 -0.043 17835 1707 1 5 . 1 1 5 5 LEU C C 2 177.892 177.892 178.312 -0.420 17835 1708 1 5 . 1 1 5 5 LEU CA C 2 55.749 55.749 54.530 1.219 17835 1709 1 5 . 1 1 5 5 LEU CB C 2 42.001 42.001 42.344 -0.344 17835 1710 1 5 . 1 1 5 5 LEU H H 2 8.636 8.636 8.348 0.288 17835 1711 1 5 . 1 1 6 6 GLU N N 3 122.649 122.649 122.683 -0.034 17835 1712 1 5 . 1 1 6 6 GLU HA H 3 4.172 4.172 3.956 0.216 17835 1713 1 5 . 1 1 6 6 GLU C C 3 177.481 177.481 178.521 -1.040 17835 1714 1 5 . 1 1 6 6 GLU CA C 3 58.106 58.106 60.255 -2.149 17835 1715 1 5 . 1 1 6 6 GLU CB C 3 28.874 28.874 29.776 -0.901 17835 1716 1 5 . 1 1 6 6 GLU H H 3 8.594 8.594 8.996 -0.402 17835 1717 1 5 . 1 1 7 7 ALA N N 4 121.929 121.929 119.576 2.353 17835 1718 1 5 . 1 1 7 7 ALA HA H 4 3.944 3.944 4.184 -0.240 17835 1719 1 5 . 1 1 7 7 ALA C C 4 180.419 180.419 179.799 0.620 17835 1720 1 5 . 1 1 7 7 ALA CA C 4 55.686 55.686 55.143 0.543 17835 1721 1 5 . 1 1 7 7 ALA CB C 4 18.587 18.587 18.189 0.398 17835 1722 1 5 . 1 1 7 7 ALA H H 4 8.744 8.744 8.392 0.352 17835 1723 1 5 . 1 1 8 8 ASP N N 5 117.514 117.514 119.664 -2.150 17835 1724 1 5 . 1 1 8 8 ASP HA H 5 4.482 4.482 4.497 -0.015 17835 1725 1 5 . 1 1 8 8 ASP C C 5 178.010 178.010 178.082 -0.072 17835 1726 1 5 . 1 1 8 8 ASP CA C 5 56.603 56.603 56.980 -0.377 17835 1727 1 5 . 1 1 8 8 ASP CB C 5 40.353 40.353 40.981 -0.628 17835 1728 1 5 . 1 1 8 8 ASP H H 5 8.071 8.071 7.659 0.412 17835 1729 1 5 . 1 1 9 9 LEU N N 6 122.640 122.640 121.584 1.056 17835 1730 1 5 . 1 1 9 9 LEU HA H 6 4.165 4.165 4.038 0.127 17835 1731 1 5 . 1 1 9 9 LEU C C 6 178.699 178.699 178.566 0.133 17835 1732 1 5 . 1 1 9 9 LEU CA C 6 57.986 57.986 58.441 -0.456 17835 1733 1 5 . 1 1 9 9 LEU CB C 6 41.675 41.675 42.222 -0.547 17835 1734 1 5 . 1 1 9 9 LEU H H 6 7.713 7.713 8.396 -0.683 17835 1735 1 5 . 1 1 10 10 VAL N N 7 119.303 119.303 114.711 4.592 17835 1736 1 5 . 1 1 10 10 VAL HA H 7 4.025 4.025 3.760 0.265 17835 1737 1 5 . 1 1 10 10 VAL C C 7 178.570 178.570 177.966 0.604 17835 1738 1 5 . 1 1 10 10 VAL CA C 7 65.683 65.683 66.885 -1.202 17835 1739 1 5 . 1 1 10 10 VAL CB C 7 31.841 31.841 31.524 0.317 17835 1740 1 5 . 1 1 10 10 VAL H H 7 8.115 8.115 8.278 -0.163 17835 1741 1 5 . 1 1 11 11 SER N N 8 113.146 113.146 118.873 -5.727 17835 1742 1 5 . 1 1 11 11 SER HA H 8 4.042 4.042 4.393 -0.351 17835 1743 1 5 . 1 1 11 11 SER C C 8 176.364 176.364 176.819 -0.455 17835 1744 1 5 . 1 1 11 11 SER CA C 8 62.600 62.600 62.398 0.202 17835 1745 1 5 . 1 1 11 11 SER CB C 8 61.596 61.596 63.207 -1.611 17835 1746 1 5 . 1 1 11 11 SER H H 8 7.796 7.796 8.165 -0.369 17835 1747 1 5 . 1 1 12 12 LYS N N 9 121.690 121.690 122.740 -1.050 17835 1748 1 5 . 1 1 12 12 LYS HA H 9 4.044 4.044 4.141 -0.097 17835 1749 1 5 . 1 1 12 12 LYS C C 9 180.048 180.048 179.064 0.984 17835 1750 1 5 . 1 1 12 12 LYS CA C 9 60.002 60.002 58.874 1.128 17835 1751 1 5 . 1 1 12 12 LYS CB C 9 32.839 32.839 32.154 0.685 17835 1752 1 5 . 1 1 12 12 LYS H H 9 7.754 7.754 8.428 -0.674 17835 1753 1 5 . 1 1 13 13 MET N N 10 119.794 119.794 119.384 0.410 17835 1754 1 5 . 1 1 13 13 MET HA H 10 4.420 4.420 4.119 0.301 17835 1755 1 5 . 1 1 13 13 MET C C 10 178.151 178.151 178.241 -0.090 17835 1756 1 5 . 1 1 13 13 MET CA C 10 57.095 57.095 59.272 -2.177 17835 1757 1 5 . 1 1 13 13 MET CB C 10 31.599 31.599 32.663 -1.064 17835 1758 1 5 . 1 1 13 13 MET H H 10 8.451 8.451 8.313 0.138 17835 1759 1 5 . 1 1 14 14 LEU N N 11 122.035 122.035 122.070 -0.035 17835 1760 1 5 . 1 1 14 14 LEU HA H 11 4.207 4.207 4.112 0.095 17835 1761 1 5 . 1 1 14 14 LEU C C 11 178.526 178.526 178.012 0.514 17835 1762 1 5 . 1 1 14 14 LEU CA C 11 58.178 58.178 59.179 -1.002 17835 1763 1 5 . 1 1 14 14 LEU CB C 11 42.148 42.148 41.814 0.334 17835 1764 1 5 . 1 1 14 14 LEU H H 11 9.301 9.301 8.687 0.614 17835 1765 1 5 . 1 1 15 15 ARG N N 12 118.150 118.150 119.326 -1.176 17835 1766 1 5 . 1 1 15 15 ARG HA H 12 3.839 3.839 3.880 -0.041 17835 1767 1 5 . 1 1 15 15 ARG C C 12 177.951 177.951 178.406 -0.455 17835 1768 1 5 . 1 1 15 15 ARG CA C 12 60.500 60.500 59.218 1.282 17835 1769 1 5 . 1 1 15 15 ARG CB C 12 29.966 29.966 29.768 0.198 17835 1770 1 5 . 1 1 15 15 ARG H H 12 8.248 8.248 8.397 -0.149 17835 1771 1 5 . 1 1 16 16 ALA N N 13 120.291 120.291 122.060 -1.769 17835 1772 1 5 . 1 1 16 16 ALA HA H 13 4.150 4.150 4.088 0.062 17835 1773 1 5 . 1 1 16 16 ALA C C 13 181.072 181.072 179.704 1.368 17835 1774 1 5 . 1 1 16 16 ALA CA C 13 55.371 55.371 54.879 0.492 17835 1775 1 5 . 1 1 16 16 ALA CB C 13 17.845 17.845 18.465 -0.620 17835 1776 1 5 . 1 1 16 16 ALA H H 13 7.587 7.587 8.230 -0.643 17835 1777 1 5 . 1 1 17 17 VAL N N 14 119.183 119.183 119.026 0.157 17835 1778 1 5 . 1 1 17 17 VAL HA H 14 3.858 3.858 3.414 0.444 17835 1779 1 5 . 1 1 17 17 VAL C C 14 178.531 178.531 178.000 0.531 17835 1780 1 5 . 1 1 17 17 VAL CA C 14 65.552 65.552 66.417 -0.865 17835 1781 1 5 . 1 1 17 17 VAL CB C 14 32.190 32.190 30.898 1.292 17835 1782 1 5 . 1 1 17 17 VAL H H 14 8.324 8.324 8.138 0.186 17835 1783 1 5 . 1 1 18 18 LEU N N 15 120.498 120.498 118.703 1.795 17835 1784 1 5 . 1 1 18 18 LEU HA H 15 3.985 3.985 3.917 0.068 17835 1785 1 5 . 1 1 18 18 LEU C C 15 179.935 179.935 179.107 0.828 17835 1786 1 5 . 1 1 18 18 LEU CA C 15 58.474 58.474 57.817 0.657 17835 1787 1 5 . 1 1 18 18 LEU CB C 15 41.885 41.885 41.381 0.504 17835 1788 1 5 . 1 1 18 18 LEU H H 15 8.388 8.388 8.056 0.332 17835 1789 1 5 . 1 1 19 19 GLN N N 16 117.835 117.835 117.334 0.501 17835 1790 1 5 . 1 1 19 19 GLN HA H 16 3.981 3.981 4.044 -0.063 17835 1791 1 5 . 1 1 19 19 GLN C C 16 177.304 177.304 178.908 -1.604 17835 1792 1 5 . 1 1 19 19 GLN CA C 16 58.668 58.668 58.827 -0.159 17835 1793 1 5 . 1 1 19 19 GLN CB C 16 28.274 28.274 28.752 -0.478 17835 1794 1 5 . 1 1 19 19 GLN H H 16 8.689 8.689 8.260 0.429 17835 1795 1 5 . 1 1 20 20 SER N N 17 111.043 111.043 116.664 -5.621 17835 1796 1 5 . 1 1 20 20 SER HA H 17 4.386 4.386 4.356 0.030 17835 1797 1 5 . 1 1 20 20 SER C C 17 173.630 173.630 176.255 -2.625 17835 1798 1 5 . 1 1 20 20 SER CA C 17 59.252 59.252 60.990 -1.738 17835 1799 1 5 . 1 1 20 20 SER CB C 17 63.600 63.600 63.642 -0.042 17835 1800 1 5 . 1 1 20 20 SER H H 17 7.461 7.461 7.910 -0.449 17835 1801 1 5 . 1 1 21 21 HIS N N 18 121.324 121.324 120.460 0.864 17835 1802 1 5 . 1 1 21 21 HIS HA H 18 4.824 4.824 4.835 -0.011 17835 1803 1 5 . 1 1 21 21 HIS C C 18 174.835 174.835 175.147 -0.312 17835 1804 1 5 . 1 1 21 21 HIS CA C 18 54.386 54.386 52.730 1.656 17835 1805 1 5 . 1 1 21 21 HIS CB C 18 28.657 28.657 27.688 0.970 17835 1806 1 5 . 1 1 21 21 HIS H H 18 7.692 7.692 8.072 -0.380 17835 1807 1 5 . 1 1 22 22 LYS N N 19 123.925 123.925 121.855 2.070 17835 1808 1 5 . 1 1 22 22 LYS HA H 19 4.161 4.161 4.192 -0.031 17835 1809 1 5 . 1 1 22 22 LYS C C 19 177.562 177.562 177.977 -0.415 17835 1810 1 5 . 1 1 22 22 LYS CA C 19 59.316 59.316 58.359 0.957 17835 1811 1 5 . 1 1 22 22 LYS CB C 19 32.202 32.202 31.823 0.379 17835 1812 1 5 . 1 1 22 22 LYS H H 19 8.809 8.809 7.792 1.017 17835 1813 1 5 . 1 1 23 23 ASN N N 20 115.473 115.473 116.705 -1.232 17835 1814 1 5 . 1 1 23 23 ASN HA H 20 5.073 5.073 4.707 0.366 17835 1815 1 5 . 1 1 23 23 ASN C C 20 174.783 174.783 175.860 -1.077 17835 1816 1 5 . 1 1 23 23 ASN CA C 20 52.835 52.835 53.388 -0.553 17835 1817 1 5 . 1 1 23 23 ASN CB C 20 38.540 38.540 39.023 -0.483 17835 1818 1 5 . 1 1 23 23 ASN H H 20 8.784 8.784 8.187 0.597 17835 1819 1 5 . 1 1 24 24 GLY N N 21 107.402 107.402 108.537 -1.135 17835 1820 1 5 . 1 1 24 24 GLY C C 21 172.572 172.572 172.841 -0.269 17835 1821 1 5 . 1 1 24 24 GLY CA C 21 44.739 44.739 44.490 0.249 17835 1822 1 5 . 1 1 24 24 GLY H H 21 7.743 7.743 7.900 -0.157 17835 1823 1 5 . 1 1 25 25 ILE N N 22 117.796 117.796 115.387 2.409 17835 1824 1 5 . 1 1 25 25 ILE HA H 22 4.272 4.272 4.666 -0.394 17835 1825 1 5 . 1 1 25 25 ILE C C 22 175.452 175.452 175.087 0.365 17835 1826 1 5 . 1 1 25 25 ILE CA C 22 59.468 59.468 59.239 0.229 17835 1827 1 5 . 1 1 25 25 ILE CB C 22 41.833 41.833 40.532 1.301 17835 1828 1 5 . 1 1 25 25 ILE H H 22 8.509 8.509 7.903 0.606 17835 1829 1 5 . 1 1 26 26 VAL N N 23 124.597 124.597 122.162 2.435 17835 1830 1 5 . 1 1 26 26 VAL HA H 23 4.585 4.585 4.428 0.157 17835 1831 1 5 . 1 1 26 26 VAL C C 23 177.566 177.566 177.696 -0.130 17835 1832 1 5 . 1 1 26 26 VAL CA C 23 62.227 62.227 62.036 0.191 17835 1833 1 5 . 1 1 26 26 VAL CB C 23 31.945 31.945 32.267 -0.322 17835 1834 1 5 . 1 1 26 26 VAL H H 23 8.524 8.524 8.370 0.154 17835 1835 1 5 . 1 1 27 27 LEU N N 24 124.858 124.858 120.853 4.005 17835 1836 1 5 . 1 1 27 27 LEU HA H 24 4.011 4.011 4.270 -0.259 17835 1837 1 5 . 1 1 27 27 LEU C C 24 175.569 175.569 176.707 -1.138 17835 1838 1 5 . 1 1 27 27 LEU CA C 24 60.394 60.394 58.713 1.681 17835 1839 1 5 . 1 1 27 27 LEU CB C 24 39.402 39.402 39.074 0.328 17835 1840 1 5 . 1 1 27 27 LEU H H 24 8.816 8.816 8.638 0.178 17835 1841 1 5 . 1 1 28 28 PRO HA H 25 4.401 4.401 4.294 0.107 17835 1842 1 5 . 1 1 28 28 PRO C C 25 177.600 177.600 179.086 -1.486 17835 1843 1 5 . 1 1 28 28 PRO CA C 25 65.549 65.549 65.600 -0.051 17835 1844 1 5 . 1 1 28 28 PRO CB C 25 31.458 31.458 30.898 0.560 17835 1845 1 5 . 1 1 29 29 ARG N N 26 115.136 115.136 119.361 -4.225 17835 1846 1 5 . 1 1 29 29 ARG HA H 26 4.511 4.511 4.102 0.409 17835 1847 1 5 . 1 1 29 29 ARG C C 26 177.152 177.152 178.211 -1.059 17835 1848 1 5 . 1 1 29 29 ARG CA C 26 55.853 55.853 59.330 -3.477 17835 1849 1 5 . 1 1 29 29 ARG CB C 26 30.981 30.981 29.943 1.038 17835 1850 1 5 . 1 1 29 29 ARG H H 26 7.869 7.869 7.823 0.046 17835 1851 1 5 . 1 1 30 30 LEU N N 27 122.984 122.984 121.748 1.236 17835 1852 1 5 . 1 1 30 30 LEU HA H 27 3.842 3.842 3.980 -0.138 17835 1853 1 5 . 1 1 30 30 LEU C C 27 177.872 177.872 178.516 -0.644 17835 1854 1 5 . 1 1 30 30 LEU CA C 27 59.458 59.458 58.645 0.813 17835 1855 1 5 . 1 1 30 30 LEU CB C 27 42.326 42.326 41.348 0.978 17835 1856 1 5 . 1 1 30 30 LEU H H 27 7.870 7.870 8.638 -0.768 17835 1857 1 5 . 1 1 31 31 GLN N N 28 117.382 117.382 117.418 -0.036 17835 1858 1 5 . 1 1 31 31 GLN HA H 28 4.689 4.689 4.053 0.636 17835 1859 1 5 . 1 1 31 31 GLN C C 28 178.888 178.888 178.846 0.042 17835 1860 1 5 . 1 1 31 31 GLN CA C 28 60.243 60.243 59.616 0.627 17835 1861 1 5 . 1 1 31 31 GLN CB C 28 27.811 27.811 28.469 -0.658 17835 1862 1 5 . 1 1 31 31 GLN H H 28 9.217 9.217 8.005 1.212 17835 1863 1 5 . 1 1 32 32 GLY N N 29 105.066 105.066 107.986 -2.920 17835 1864 1 5 . 1 1 32 32 GLY C C 29 177.579 177.579 176.555 1.024 17835 1865 1 5 . 1 1 32 32 GLY CA C 29 47.254 47.254 47.300 -0.045 17835 1866 1 5 . 1 1 32 32 GLY H H 29 8.680 8.680 8.461 0.219 17835 1867 1 5 . 1 1 33 33 GLU N N 30 121.593 121.593 122.985 -1.392 17835 1868 1 5 . 1 1 33 33 GLU HA H 30 4.274 4.274 4.213 0.061 17835 1869 1 5 . 1 1 33 33 GLU C C 30 179.316 179.316 178.869 0.447 17835 1870 1 5 . 1 1 33 33 GLU CA C 30 59.068 59.068 58.363 0.705 17835 1871 1 5 . 1 1 33 33 GLU CB C 30 29.077 29.077 29.336 -0.259 17835 1872 1 5 . 1 1 33 33 GLU H H 30 8.063 8.063 8.358 -0.295 17835 1873 1 5 . 1 1 34 34 TYR N N 31 123.143 123.143 122.067 1.076 17835 1874 1 5 . 1 1 34 34 TYR HA H 31 4.083 4.083 4.049 0.034 17835 1875 1 5 . 1 1 34 34 TYR C C 31 178.379 178.379 177.161 1.218 17835 1876 1 5 . 1 1 34 34 TYR CA C 31 62.406 62.406 61.759 0.647 17835 1877 1 5 . 1 1 34 34 TYR CB C 31 39.405 39.405 38.393 1.012 17835 1878 1 5 . 1 1 34 34 TYR H H 31 9.063 9.063 8.789 0.274 17835 1879 1 5 . 1 1 35 35 ARG N N 32 123.458 123.458 119.674 3.784 17835 1880 1 5 . 1 1 35 35 ARG HA H 32 4.281 4.281 3.908 0.373 17835 1881 1 5 . 1 1 35 35 ARG C C 32 180.186 180.186 178.940 1.246 17835 1882 1 5 . 1 1 35 35 ARG CA C 32 58.908 58.908 59.147 -0.239 17835 1883 1 5 . 1 1 35 35 ARG CB C 32 29.708 29.708 29.925 -0.217 17835 1884 1 5 . 1 1 35 35 ARG H H 32 9.321 9.321 8.593 0.728 17835 1885 1 5 . 1 1 36 36 SER N N 33 116.071 116.071 115.707 0.364 17835 1886 1 5 . 1 1 36 36 SER HA H 33 4.048 4.048 4.074 -0.026 17835 1887 1 5 . 1 1 36 36 SER C C 33 175.063 175.063 175.703 -0.640 17835 1888 1 5 . 1 1 36 36 SER CA C 33 61.856 61.856 61.001 0.855 17835 1889 1 5 . 1 1 36 36 SER CB C 33 62.779 62.779 63.011 -0.232 17835 1890 1 5 . 1 1 36 36 SER H H 33 8.078 8.078 7.888 0.190 17835 1891 1 5 . 1 1 37 37 LEU N N 34 118.571 118.571 122.092 -3.521 17835 1892 1 5 . 1 1 37 37 LEU HA H 34 4.342 4.342 4.207 0.135 17835 1893 1 5 . 1 1 37 37 LEU C C 34 178.400 178.400 178.132 0.268 17835 1894 1 5 . 1 1 37 37 LEU CA C 34 57.073 57.073 57.127 -0.054 17835 1895 1 5 . 1 1 37 37 LEU CB C 34 43.132 43.132 42.384 0.748 17835 1896 1 5 . 1 1 37 37 LEU H H 34 7.167 7.167 7.481 -0.314 17835 1897 1 5 . 1 1 38 38 THR N N 35 106.425 106.425 109.613 -3.188 17835 1898 1 5 . 1 1 38 38 THR HA H 35 4.163 4.163 4.150 0.013 17835 1899 1 5 . 1 1 38 38 THR C C 35 176.259 176.259 175.833 0.426 17835 1900 1 5 . 1 1 38 38 THR CA C 35 62.637 62.637 62.447 0.190 17835 1901 1 5 . 1 1 38 38 THR CB C 35 71.659 71.659 69.286 2.373 17835 1902 1 5 . 1 1 38 38 THR H H 35 8.168 8.168 7.795 0.373 17835 1903 1 5 . 1 1 39 39 GLY N N 36 112.162 112.162 110.604 1.558 17835 1904 1 5 . 1 1 39 39 GLY C C 36 172.464 172.464 173.059 -0.595 17835 1905 1 5 . 1 1 39 39 GLY CA C 36 45.225 45.225 45.129 0.096 17835 1906 1 5 . 1 1 39 39 GLY H H 36 8.759 8.759 8.027 0.732 17835 1907 1 5 . 1 1 40 40 ASP N N 37 121.106 121.106 118.327 2.779 17835 1908 1 5 . 1 1 40 40 ASP HA H 37 4.733 4.733 4.728 0.005 17835 1909 1 5 . 1 1 40 40 ASP C C 37 173.861 173.861 173.854 0.007 17835 1910 1 5 . 1 1 40 40 ASP CA C 37 52.159 52.159 51.954 0.205 17835 1911 1 5 . 1 1 40 40 ASP CB C 37 44.573 44.573 43.594 0.979 17835 1912 1 5 . 1 1 40 40 ASP H H 37 8.414 8.414 7.507 0.907 17835 1913 1 5 . 1 1 41 41 TRP N N 38 115.206 115.206 118.838 -3.632 17835 1914 1 5 . 1 1 41 41 TRP HA H 38 5.107 5.107 4.922 0.185 17835 1915 1 5 . 1 1 41 41 TRP C C 38 177.125 177.125 177.745 -0.620 17835 1916 1 5 . 1 1 41 41 TRP CA C 38 54.889 54.889 56.003 -1.114 17835 1917 1 5 . 1 1 41 41 TRP CB C 38 31.592 31.592 31.029 0.563 17835 1918 1 5 . 1 1 41 41 TRP H H 38 8.016 8.016 8.343 -0.327 17835 1919 1 5 . 1 1 42 42 ILE N N 39 123.723 123.723 123.425 0.298 17835 1920 1 5 . 1 1 42 42 ILE HA H 39 3.512 3.512 3.698 -0.186 17835 1921 1 5 . 1 1 42 42 ILE C C 39 177.199 177.199 176.214 0.985 17835 1922 1 5 . 1 1 42 42 ILE CA C 39 60.467 60.467 61.146 -0.679 17835 1923 1 5 . 1 1 42 42 ILE CB C 39 38.133 38.133 37.947 0.186 17835 1924 1 5 . 1 1 42 42 ILE H H 39 10.079 10.079 9.127 0.952 17835 1925 1 5 . 1 1 43 43 PRO HA H 40 4.600 4.600 4.684 -0.084 17835 1926 1 5 . 1 1 43 43 PRO C C 40 174.997 174.997 176.758 -1.761 17835 1927 1 5 . 1 1 43 43 PRO CA C 40 62.511 62.511 62.430 0.081 17835 1928 1 5 . 1 1 43 43 PRO CB C 40 27.857 27.857 29.281 -1.424 17835 1929 1 5 . 1 1 44 44 PHE N N 41 118.808 118.808 120.325 -1.517 17835 1930 1 5 . 1 1 44 44 PHE HA H 41 3.737 3.737 4.179 -0.442 17835 1931 1 5 . 1 1 44 44 PHE C C 41 175.891 175.891 176.754 -0.863 17835 1932 1 5 . 1 1 44 44 PHE CA C 41 60.911 60.911 61.727 -0.816 17835 1933 1 5 . 1 1 44 44 PHE CB C 41 38.412 38.412 37.617 0.795 17835 1934 1 5 . 1 1 44 44 PHE H H 41 7.647 7.647 7.892 -0.245 17835 1935 1 5 . 1 1 45 45 LYS N N 42 123.543 123.543 119.922 3.621 17835 1936 1 5 . 1 1 45 45 LYS HA H 42 4.763 4.763 4.079 0.684 17835 1937 1 5 . 1 1 45 45 LYS C C 42 181.828 181.828 178.629 3.199 17835 1938 1 5 . 1 1 45 45 LYS CA C 42 58.959 58.959 58.791 0.168 17835 1939 1 5 . 1 1 45 45 LYS CB C 42 31.599 31.599 31.598 0.001 17835 1940 1 5 . 1 1 45 45 LYS H H 42 7.387 7.387 7.257 0.130 17835 1941 1 5 . 1 1 46 46 GLN N N 43 123.171 123.171 118.019 5.152 17835 1942 1 5 . 1 1 46 46 GLN HA H 43 3.896 3.896 4.008 -0.112 17835 1943 1 5 . 1 1 46 46 GLN C C 43 178.167 178.167 177.921 0.246 17835 1944 1 5 . 1 1 46 46 GLN CA C 43 59.066 59.066 58.347 0.719 17835 1945 1 5 . 1 1 46 46 GLN CB C 43 27.702 27.702 28.222 -0.520 17835 1946 1 5 . 1 1 46 46 GLN H H 43 8.567 8.567 7.851 0.716 17835 1947 1 5 . 1 1 47 47 LEU N N 44 116.472 116.472 118.523 -2.051 17835 1948 1 5 . 1 1 47 47 LEU HA H 44 4.255 4.255 4.175 0.080 17835 1949 1 5 . 1 1 47 47 LEU C C 44 176.103 176.103 178.088 -1.985 17835 1950 1 5 . 1 1 47 47 LEU CA C 44 55.308 55.308 56.079 -0.771 17835 1951 1 5 . 1 1 47 47 LEU CB C 44 41.374 41.374 42.807 -1.433 17835 1952 1 5 . 1 1 47 47 LEU H H 44 7.544 7.544 8.225 -0.681 17835 1953 1 5 . 1 1 48 48 GLY N N 45 104.932 104.932 103.754 1.178 17835 1954 1 5 . 1 1 48 48 GLY C C 45 173.844 173.844 174.419 -0.575 17835 1955 1 5 . 1 1 48 48 GLY CA C 45 44.826 44.826 44.404 0.422 17835 1956 1 5 . 1 1 48 48 GLY H H 45 7.741 7.741 7.879 -0.138 17835 1957 1 5 . 1 1 49 49 TYR N N 46 119.946 119.946 121.019 -1.073 17835 1958 1 5 . 1 1 49 49 TYR HA H 46 4.839 4.839 4.866 -0.027 17835 1959 1 5 . 1 1 49 49 TYR C C 46 174.575 174.575 174.931 -0.356 17835 1960 1 5 . 1 1 49 49 TYR CA C 46 56.349 56.349 55.958 0.391 17835 1961 1 5 . 1 1 49 49 TYR CB C 46 41.464 41.464 38.398 3.066 17835 1962 1 5 . 1 1 49 49 TYR H H 46 8.332 8.332 7.960 0.372 17835 1963 1 5 . 1 1 50 50 PRO HA H 47 4.556 4.556 4.475 0.081 17835 1964 1 5 . 1 1 50 50 PRO C C 47 177.125 177.125 176.908 0.217 17835 1965 1 5 . 1 1 50 50 PRO CA C 47 64.115 64.115 64.463 -0.348 17835 1966 1 5 . 1 1 50 50 PRO CB C 47 32.152 32.152 31.928 0.224 17835 1967 1 5 . 1 1 51 51 THR N N 48 105.643 105.643 107.561 -1.918 17835 1968 1 5 . 1 1 51 51 THR HA H 48 4.129 4.129 4.339 -0.210 17835 1969 1 5 . 1 1 51 51 THR C C 48 173.270 173.270 174.644 -1.374 17835 1970 1 5 . 1 1 51 51 THR CA C 48 58.738 58.738 59.879 -1.141 17835 1971 1 5 . 1 1 51 51 THR CB C 48 73.254 73.254 71.498 1.756 17835 1972 1 5 . 1 1 51 51 THR H H 48 6.939 6.939 7.496 -0.557 17835 1973 1 5 . 1 1 52 52 LEU N N 49 121.743 121.743 122.836 -1.093 17835 1974 1 5 . 1 1 52 52 LEU HA H 49 3.325 3.325 3.914 -0.589 17835 1975 1 5 . 1 1 52 52 LEU C C 49 178.195 178.195 178.680 -0.485 17835 1976 1 5 . 1 1 52 52 LEU CA C 49 57.551 57.551 57.603 -0.052 17835 1977 1 5 . 1 1 52 52 LEU CB C 49 40.517 40.517 40.587 -0.070 17835 1978 1 5 . 1 1 52 52 LEU H H 49 7.849 7.849 8.152 -0.303 17835 1979 1 5 . 1 1 53 53 GLU N N 50 118.706 118.706 119.106 -0.400 17835 1980 1 5 . 1 1 53 53 GLU HA H 50 3.411 3.411 3.886 -0.475 17835 1981 1 5 . 1 1 53 53 GLU C C 50 176.853 176.853 178.495 -1.642 17835 1982 1 5 . 1 1 53 53 GLU CA C 50 60.720 60.720 59.440 1.280 17835 1983 1 5 . 1 1 53 53 GLU CB C 50 28.696 28.696 28.763 -0.067 17835 1984 1 5 . 1 1 53 53 GLU H H 50 8.981 8.981 8.746 0.235 17835 1985 1 5 . 1 1 54 54 ALA N N 51 119.673 119.673 122.647 -2.974 17835 1986 1 5 . 1 1 54 54 ALA HA H 51 3.885 3.885 4.021 -0.136 17835 1987 1 5 . 1 1 54 54 ALA C C 51 180.232 180.232 179.424 0.808 17835 1988 1 5 . 1 1 54 54 ALA CA C 51 55.127 55.127 55.032 0.094 17835 1989 1 5 . 1 1 54 54 ALA CB C 51 18.345 18.345 18.464 -0.119 17835 1990 1 5 . 1 1 54 54 ALA H H 51 8.001 8.001 7.834 0.167 17835 1991 1 5 . 1 1 55 55 TYR N N 52 117.474 117.474 120.392 -2.918 17835 1992 1 5 . 1 1 55 55 TYR HA H 52 2.898 2.898 3.279 -0.381 17835 1993 1 5 . 1 1 55 55 TYR C C 52 178.563 178.563 177.525 1.038 17835 1994 1 5 . 1 1 55 55 TYR CA C 52 59.876 59.876 61.179 -1.303 17835 1995 1 5 . 1 1 55 55 TYR CB C 52 37.365 37.365 38.226 -0.861 17835 1996 1 5 . 1 1 55 55 TYR H H 52 7.218 7.218 8.066 -0.848 17835 1997 1 5 . 1 1 56 56 LEU N N 53 121.106 121.106 118.162 2.944 17835 1998 1 5 . 1 1 56 56 LEU HA H 53 3.221 3.221 3.608 -0.387 17835 1999 1 5 . 1 1 56 56 LEU C C 53 179.706 179.706 179.263 0.443 17835 2000 1 5 . 1 1 56 56 LEU CA C 53 57.334 57.334 57.500 -0.166 17835 2001 1 5 . 1 1 56 56 LEU CB C 53 40.788 40.788 41.563 -0.775 17835 2002 1 5 . 1 1 56 56 LEU H H 53 8.440 8.440 8.167 0.273 17835 2003 1 5 . 1 1 57 57 ARG N N 54 116.303 116.303 119.984 -3.681 17835 2004 1 5 . 1 1 57 57 ARG HA H 54 3.722 3.722 4.004 -0.282 17835 2005 1 5 . 1 1 57 57 ARG C C 54 176.071 176.071 177.746 -1.675 17835 2006 1 5 . 1 1 57 57 ARG CA C 54 58.463 58.463 58.636 -0.173 17835 2007 1 5 . 1 1 57 57 ARG CB C 54 29.735 29.735 29.919 -0.184 17835 2008 1 5 . 1 1 57 57 ARG H H 54 7.998 7.998 8.589 -0.591 17835 2009 1 5 . 1 1 58 58 SER N N 55 115.365 115.365 112.956 2.409 17835 2010 1 5 . 1 1 58 58 SER HA H 55 4.357 4.357 4.373 -0.016 17835 2011 1 5 . 1 1 58 58 SER C C 55 173.970 173.970 173.914 0.056 17835 2012 1 5 . 1 1 58 58 SER CA C 55 59.762 59.762 59.968 -0.206 17835 2013 1 5 . 1 1 58 58 SER CB C 55 63.886 63.886 63.393 0.493 17835 2014 1 5 . 1 1 58 58 SER H H 55 7.491 7.491 7.548 -0.057 17835 2015 1 5 . 1 1 59 59 VAL N N 56 113.059 113.059 120.271 -7.212 17835 2016 1 5 . 1 1 59 59 VAL HA H 56 5.090 5.090 4.509 0.581 17835 2017 1 5 . 1 1 59 59 VAL C C 56 174.276 174.276 173.778 0.498 17835 2018 1 5 . 1 1 59 59 VAL CA C 56 58.444 58.444 58.735 -0.291 17835 2019 1 5 . 1 1 59 59 VAL CB C 56 31.559 31.559 32.813 -1.254 17835 2020 1 5 . 1 1 59 59 VAL H H 56 6.729 6.729 7.043 -0.314 17835 2021 1 5 . 1 1 60 60 PRO HA H 57 4.902 4.902 4.704 0.198 17835 2022 1 5 . 1 1 60 60 PRO C C 57 177.563 177.563 177.224 0.339 17835 2023 1 5 . 1 1 60 60 PRO CA C 57 64.541 64.541 64.540 0.001 17835 2024 1 5 . 1 1 60 60 PRO CB C 57 31.768 31.768 31.758 0.010 17835 2025 1 5 . 1 1 61 61 ALA N N 58 120.004 120.004 119.651 0.353 17835 2026 1 5 . 1 1 61 61 ALA HA H 58 4.327 4.327 4.248 0.079 17835 2027 1 5 . 1 1 61 61 ALA C C 58 177.191 177.191 177.653 -0.462 17835 2028 1 5 . 1 1 61 61 ALA CA C 58 52.795 52.795 53.594 -0.799 17835 2029 1 5 . 1 1 61 61 ALA CB C 58 18.427 18.427 19.189 -0.762 17835 2030 1 5 . 1 1 61 61 ALA H H 58 8.397 8.397 8.163 0.234 17835 2031 1 5 . 1 1 62 62 VAL N N 59 116.635 116.635 113.616 3.019 17835 2032 1 5 . 1 1 62 62 VAL HA H 59 4.032 4.032 4.311 -0.279 17835 2033 1 5 . 1 1 62 62 VAL C C 59 174.238 174.238 174.762 -0.524 17835 2034 1 5 . 1 1 62 62 VAL CA C 59 63.741 63.741 63.305 0.436 17835 2035 1 5 . 1 1 62 62 VAL CB C 59 34.115 34.115 34.908 -0.793 17835 2036 1 5 . 1 1 62 62 VAL H H 59 8.080 8.080 7.666 0.414 17835 2037 1 5 . 1 1 63 63 VAL N N 60 117.153 117.153 118.462 -1.309 17835 2038 1 5 . 1 1 63 63 VAL HA H 60 4.911 4.911 4.597 0.314 17835 2039 1 5 . 1 1 63 63 VAL C C 60 172.258 172.258 173.649 -1.391 17835 2040 1 5 . 1 1 63 63 VAL CA C 60 59.006 59.006 60.876 -1.870 17835 2041 1 5 . 1 1 63 63 VAL CB C 60 35.461 35.461 36.531 -1.070 17835 2042 1 5 . 1 1 63 63 VAL H H 60 7.791 7.791 8.190 -0.399 17835 2043 1 5 . 1 1 64 64 ARG N N 61 129.658 129.658 121.585 8.073 17835 2044 1 5 . 1 1 64 64 ARG HA H 61 4.727 4.727 4.696 0.031 17835 2045 1 5 . 1 1 64 64 ARG C C 61 174.437 174.437 173.642 0.795 17835 2046 1 5 . 1 1 64 64 ARG CA C 61 54.117 54.117 55.458 -1.341 17835 2047 1 5 . 1 1 64 64 ARG CB C 61 32.754 32.754 34.149 -1.395 17835 2048 1 5 . 1 1 64 64 ARG H H 61 9.208 9.208 8.983 0.225 17835 2049 1 5 . 1 1 65 65 ILE N N 62 125.775 125.775 117.693 8.082 17835 2050 1 5 . 1 1 65 65 ILE HA H 62 4.917 4.917 5.322 -0.405 17835 2051 1 5 . 1 1 65 65 ILE C C 62 175.842 175.842 174.630 1.212 17835 2052 1 5 . 1 1 65 65 ILE CA C 62 59.545 59.545 59.811 -0.266 17835 2053 1 5 . 1 1 65 65 ILE CB C 62 39.645 39.645 42.354 -2.709 17835 2054 1 5 . 1 1 65 65 ILE H H 62 8.736 8.736 8.305 0.431 17835 2055 1 5 . 1 1 66 66 GLU N N 63 127.114 127.114 122.904 4.210 17835 2056 1 5 . 1 1 66 66 GLU HA H 63 4.677 4.677 4.745 -0.068 17835 2057 1 5 . 1 1 66 66 GLU C C 63 174.409 174.409 175.280 -0.871 17835 2058 1 5 . 1 1 66 66 GLU CA C 63 54.791 54.791 54.891 -0.100 17835 2059 1 5 . 1 1 66 66 GLU CB C 63 33.078 33.078 31.953 1.125 17835 2060 1 5 . 1 1 66 66 GLU H H 63 9.197 9.197 9.100 0.097 17835 2061 1 5 . 1 1 67 67 ALA N N 64 127.913 127.913 129.696 -1.783 17835 2062 1 5 . 1 1 67 67 ALA HA H 64 5.026 5.026 4.679 0.347 17835 2063 1 5 . 1 1 67 67 ALA C C 64 177.717 177.717 177.177 0.540 17835 2064 1 5 . 1 1 67 67 ALA CA C 64 51.070 51.070 51.722 -0.652 17835 2065 1 5 . 1 1 67 67 ALA CB C 64 19.550 19.550 19.168 0.382 17835 2066 1 5 . 1 1 67 67 ALA H H 64 8.779 8.779 8.588 0.191 17835 2067 1 5 . 1 1 68 68 SER N N 65 119.364 119.364 119.970 -0.606 17835 2068 1 5 . 1 1 68 68 SER HA H 65 4.665 4.665 4.471 0.194 17835 2069 1 5 . 1 1 68 68 SER C C 65 176.518 176.518 176.720 -0.202 17835 2070 1 5 . 1 1 68 68 SER CA C 65 57.096 57.096 57.099 -0.003 17835 2071 1 5 . 1 1 68 68 SER CB C 65 65.234 65.234 64.546 0.688 17835 2072 1 5 . 1 1 68 68 SER H H 65 8.951 8.951 8.533 0.418 17835 2073 1 5 . 1 1 69 69 ARG N N 66 123.143 123.143 126.090 -2.947 17835 2074 1 5 . 1 1 69 69 ARG HA H 66 4.153 4.153 4.150 0.003 17835 2075 1 5 . 1 1 69 69 ARG C C 66 177.356 177.356 176.833 0.523 17835 2076 1 5 . 1 1 69 69 ARG CA C 66 58.973 58.973 58.074 0.899 17835 2077 1 5 . 1 1 69 69 ARG CB C 66 29.659 29.659 29.437 0.222 17835 2078 1 5 . 1 1 69 69 ARG H H 66 9.075 9.075 8.951 0.124 17835 2079 1 5 . 1 1 70 70 SER N N 67 112.081 112.081 115.735 -3.654 17835 2080 1 5 . 1 1 70 70 SER HA H 67 4.416 4.416 4.363 0.053 17835 2081 1 5 . 1 1 70 70 SER C C 67 175.146 175.146 175.370 -0.224 17835 2082 1 5 . 1 1 70 70 SER CA C 67 58.413 58.413 58.325 0.088 17835 2083 1 5 . 1 1 70 70 SER CB C 67 63.477 63.477 63.515 -0.038 17835 2084 1 5 . 1 1 70 70 SER H H 67 8.083 8.083 7.766 0.317 17835 2085 1 5 . 1 1 71 71 GLY N N 68 110.519 110.519 109.099 1.420 17835 2086 1 5 . 1 1 71 71 GLY C C 68 174.116 174.116 173.590 0.526 17835 2087 1 5 . 1 1 71 71 GLY CA C 68 45.114 45.114 45.327 -0.213 17835 2088 1 5 . 1 1 71 71 GLY H H 68 7.974 7.974 7.789 0.185 17835 2089 1 5 . 1 1 72 72 GLU N N 69 120.663 120.663 119.147 1.516 17835 2090 1 5 . 1 1 72 72 GLU HA H 69 4.289 4.289 4.767 -0.478 17835 2091 1 5 . 1 1 72 72 GLU C C 69 175.352 175.352 174.429 0.923 17835 2092 1 5 . 1 1 72 72 GLU CA C 69 56.082 56.082 54.427 1.655 17835 2093 1 5 . 1 1 72 72 GLU CB C 69 30.517 30.517 32.805 -2.288 17835 2094 1 5 . 1 1 72 72 GLU H H 69 7.630 7.630 7.631 -0.001 17835 2095 1 5 . 1 1 73 73 ILE N N 70 125.775 125.775 121.916 3.859 17835 2096 1 5 . 1 1 73 73 ILE HA H 70 4.367 4.367 4.905 -0.538 17835 2097 1 5 . 1 1 73 73 ILE C C 70 174.613 174.613 173.722 0.891 17835 2098 1 5 . 1 1 73 73 ILE CA C 70 60.876 60.876 59.412 1.464 17835 2099 1 5 . 1 1 73 73 ILE CB C 70 37.465 37.465 41.241 -3.776 17835 2100 1 5 . 1 1 73 73 ILE H H 70 8.753 8.753 8.451 0.302 17835 2101 1 5 . 1 1 74 74 VAL N N 71 128.300 128.300 127.878 0.422 17835 2102 1 5 . 1 1 74 74 VAL HA H 71 4.153 4.153 4.349 -0.197 17835 2103 1 5 . 1 1 74 74 VAL C C 71 173.544 173.544 174.684 -1.140 17835 2104 1 5 . 1 1 74 74 VAL CA C 71 61.736 61.736 60.739 0.997 17835 2105 1 5 . 1 1 74 74 VAL CB C 71 33.763 33.763 33.689 0.074 17835 2106 1 5 . 1 1 74 74 VAL H H 71 8.724 8.724 8.776 -0.052 17835 2107 1 5 . 1 1 75 75 CYS N N 72 122.823 122.823 124.370 -1.547 17835 2108 1 5 . 1 1 75 75 CYS HA H 72 4.948 4.948 5.005 -0.057 17835 2109 1 5 . 1 1 75 75 CYS C C 72 173.200 173.200 173.721 -0.521 17835 2110 1 5 . 1 1 75 75 CYS CA C 72 57.176 57.176 57.815 -0.639 17835 2111 1 5 . 1 1 75 75 CYS CB C 72 29.712 29.712 29.754 -0.042 17835 2112 1 5 . 1 1 75 75 CYS H H 72 8.200 8.200 8.659 -0.459 17835 2113 1 5 . 1 1 76 76 TYR N N 73 119.584 119.584 119.086 0.498 17835 2114 1 5 . 1 1 76 76 TYR HA H 73 5.013 5.013 4.781 0.232 17835 2115 1 5 . 1 1 76 76 TYR C C 73 175.779 175.779 174.905 0.874 17835 2116 1 5 . 1 1 76 76 TYR CA C 73 56.289 56.289 57.086 -0.797 17835 2117 1 5 . 1 1 76 76 TYR CB C 73 42.505 42.505 43.089 -0.584 17835 2118 1 5 . 1 1 76 76 TYR H H 73 9.265 9.265 9.275 -0.010 17835 2119 1 5 . 1 1 77 77 ALA N N 74 122.844 122.844 121.698 1.146 17835 2120 1 5 . 1 1 77 77 ALA HA H 74 4.423 4.423 4.564 -0.141 17835 2121 1 5 . 1 1 77 77 ALA C C 74 177.907 177.907 175.636 2.271 17835 2122 1 5 . 1 1 77 77 ALA CA C 74 52.151 52.151 51.433 0.718 17835 2123 1 5 . 1 1 77 77 ALA CB C 74 18.915 18.915 20.700 -1.785 17835 2124 1 5 . 1 1 77 77 ALA H H 74 9.145 9.145 8.878 0.267 17835 2125 1 5 . 1 1 78 78 VAL N N 75 123.434 123.434 117.334 6.100 17835 2126 1 5 . 1 1 78 78 VAL HA H 75 3.826 3.826 4.359 -0.533 17835 2127 1 5 . 1 1 78 78 VAL C C 75 174.995 174.995 174.717 0.278 17835 2128 1 5 . 1 1 78 78 VAL CA C 75 63.379 63.379 62.306 1.073 17835 2129 1 5 . 1 1 78 78 VAL CB C 75 32.715 32.715 35.319 -2.604 17835 2130 1 5 . 1 1 78 78 VAL H H 75 7.894 7.894 8.604 -0.710 17835 2131 1 6 . 1 1 5 5 LEU N N 2 124.907 124.907 121.868 3.039 17835 2132 1 6 . 1 1 5 5 LEU HA H 2 4.299 4.299 4.373 -0.074 17835 2133 1 6 . 1 1 5 5 LEU C C 2 177.892 177.892 178.089 -0.197 17835 2134 1 6 . 1 1 5 5 LEU CA C 2 55.749 55.749 54.898 0.851 17835 2135 1 6 . 1 1 5 5 LEU CB C 2 42.001 42.001 42.923 -0.922 17835 2136 1 6 . 1 1 5 5 LEU H H 2 8.636 8.636 8.297 0.339 17835 2137 1 6 . 1 1 6 6 GLU N N 3 122.649 122.649 122.366 0.283 17835 2138 1 6 . 1 1 6 6 GLU HA H 3 4.172 4.172 3.968 0.204 17835 2139 1 6 . 1 1 6 6 GLU C C 3 177.481 177.481 178.566 -1.085 17835 2140 1 6 . 1 1 6 6 GLU CA C 3 58.106 58.106 60.139 -2.033 17835 2141 1 6 . 1 1 6 6 GLU CB C 3 28.874 28.874 29.517 -0.643 17835 2142 1 6 . 1 1 6 6 GLU H H 3 8.594 8.594 8.956 -0.362 17835 2143 1 6 . 1 1 7 7 ALA N N 4 121.929 121.929 120.801 1.128 17835 2144 1 6 . 1 1 7 7 ALA HA H 4 3.944 3.944 4.197 -0.253 17835 2145 1 6 . 1 1 7 7 ALA C C 4 180.419 180.419 179.451 0.968 17835 2146 1 6 . 1 1 7 7 ALA CA C 4 55.686 55.686 54.970 0.716 17835 2147 1 6 . 1 1 7 7 ALA CB C 4 18.587 18.587 18.029 0.558 17835 2148 1 6 . 1 1 7 7 ALA H H 4 8.744 8.744 8.368 0.376 17835 2149 1 6 . 1 1 8 8 ASP N N 5 117.514 117.514 119.757 -2.243 17835 2150 1 6 . 1 1 8 8 ASP HA H 5 4.482 4.482 4.514 -0.032 17835 2151 1 6 . 1 1 8 8 ASP C C 5 178.010 178.010 178.166 -0.156 17835 2152 1 6 . 1 1 8 8 ASP CA C 5 56.603 56.603 56.815 -0.212 17835 2153 1 6 . 1 1 8 8 ASP CB C 5 40.353 40.353 40.740 -0.387 17835 2154 1 6 . 1 1 8 8 ASP H H 5 8.071 8.071 8.230 -0.159 17835 2155 1 6 . 1 1 9 9 LEU N N 6 122.640 122.640 121.608 1.032 17835 2156 1 6 . 1 1 9 9 LEU HA H 6 4.165 4.165 3.971 0.194 17835 2157 1 6 . 1 1 9 9 LEU C C 6 178.699 178.699 178.393 0.306 17835 2158 1 6 . 1 1 9 9 LEU CA C 6 57.986 57.986 58.406 -0.420 17835 2159 1 6 . 1 1 9 9 LEU CB C 6 41.675 41.675 41.985 -0.310 17835 2160 1 6 . 1 1 9 9 LEU H H 6 7.713 7.713 8.275 -0.562 17835 2161 1 6 . 1 1 10 10 VAL N N 7 119.303 119.303 114.665 4.638 17835 2162 1 6 . 1 1 10 10 VAL HA H 7 4.025 4.025 3.724 0.301 17835 2163 1 6 . 1 1 10 10 VAL C C 7 178.570 178.570 177.994 0.576 17835 2164 1 6 . 1 1 10 10 VAL CA C 7 65.683 65.683 66.900 -1.217 17835 2165 1 6 . 1 1 10 10 VAL CB C 7 31.841 31.841 31.357 0.484 17835 2166 1 6 . 1 1 10 10 VAL H H 7 8.115 8.115 7.753 0.362 17835 2167 1 6 . 1 1 11 11 SER N N 8 113.146 113.146 118.407 -5.261 17835 2168 1 6 . 1 1 11 11 SER HA H 8 4.042 4.042 4.333 -0.291 17835 2169 1 6 . 1 1 11 11 SER C C 8 176.364 176.364 176.753 -0.389 17835 2170 1 6 . 1 1 11 11 SER CA C 8 62.600 62.600 62.692 -0.092 17835 2171 1 6 . 1 1 11 11 SER CB C 8 61.596 61.596 63.205 -1.609 17835 2172 1 6 . 1 1 11 11 SER H H 8 7.796 7.796 8.224 -0.428 17835 2173 1 6 . 1 1 12 12 LYS N N 9 121.690 121.690 121.943 -0.253 17835 2174 1 6 . 1 1 12 12 LYS HA H 9 4.044 4.044 4.000 0.044 17835 2175 1 6 . 1 1 12 12 LYS C C 9 180.048 180.048 178.754 1.294 17835 2176 1 6 . 1 1 12 12 LYS CA C 9 60.002 60.002 59.672 0.330 17835 2177 1 6 . 1 1 12 12 LYS CB C 9 32.839 32.839 32.385 0.454 17835 2178 1 6 . 1 1 12 12 LYS H H 9 7.754 7.754 8.269 -0.515 17835 2179 1 6 . 1 1 13 13 MET N N 10 119.794 119.794 119.045 0.749 17835 2180 1 6 . 1 1 13 13 MET HA H 10 4.420 4.420 4.124 0.296 17835 2181 1 6 . 1 1 13 13 MET C C 10 178.151 178.151 178.302 -0.151 17835 2182 1 6 . 1 1 13 13 MET CA C 10 57.095 57.095 59.142 -2.047 17835 2183 1 6 . 1 1 13 13 MET CB C 10 31.599 31.599 32.681 -1.082 17835 2184 1 6 . 1 1 13 13 MET H H 10 8.451 8.451 8.103 0.348 17835 2185 1 6 . 1 1 14 14 LEU N N 11 122.035 122.035 122.098 -0.063 17835 2186 1 6 . 1 1 14 14 LEU HA H 11 4.207 4.207 4.128 0.079 17835 2187 1 6 . 1 1 14 14 LEU C C 11 178.526 178.526 177.996 0.530 17835 2188 1 6 . 1 1 14 14 LEU CA C 11 58.178 58.178 59.160 -0.982 17835 2189 1 6 . 1 1 14 14 LEU CB C 11 42.148 42.148 41.812 0.336 17835 2190 1 6 . 1 1 14 14 LEU H H 11 9.301 9.301 8.801 0.500 17835 2191 1 6 . 1 1 15 15 ARG N N 12 118.150 118.150 119.333 -1.183 17835 2192 1 6 . 1 1 15 15 ARG HA H 12 3.839 3.839 3.875 -0.036 17835 2193 1 6 . 1 1 15 15 ARG C C 12 177.951 177.951 178.383 -0.432 17835 2194 1 6 . 1 1 15 15 ARG CA C 12 60.500 60.500 59.265 1.235 17835 2195 1 6 . 1 1 15 15 ARG CB C 12 29.966 29.966 29.776 0.190 17835 2196 1 6 . 1 1 15 15 ARG H H 12 8.248 8.248 8.455 -0.207 17835 2197 1 6 . 1 1 16 16 ALA N N 13 120.291 120.291 121.681 -1.390 17835 2198 1 6 . 1 1 16 16 ALA HA H 13 4.150 4.150 4.113 0.037 17835 2199 1 6 . 1 1 16 16 ALA C C 13 181.072 181.072 179.911 1.161 17835 2200 1 6 . 1 1 16 16 ALA CA C 13 55.371 55.371 54.947 0.424 17835 2201 1 6 . 1 1 16 16 ALA CB C 13 17.845 17.845 18.172 -0.327 17835 2202 1 6 . 1 1 16 16 ALA H H 13 7.587 7.587 8.113 -0.526 17835 2203 1 6 . 1 1 17 17 VAL N N 14 119.183 119.183 119.048 0.135 17835 2204 1 6 . 1 1 17 17 VAL HA H 14 3.858 3.858 3.269 0.589 17835 2205 1 6 . 1 1 17 17 VAL C C 14 178.531 178.531 177.935 0.596 17835 2206 1 6 . 1 1 17 17 VAL CA C 14 65.552 65.552 66.834 -1.282 17835 2207 1 6 . 1 1 17 17 VAL CB C 14 32.190 32.190 31.619 0.571 17835 2208 1 6 . 1 1 17 17 VAL H H 14 8.324 8.324 8.094 0.230 17835 2209 1 6 . 1 1 18 18 LEU N N 15 120.498 120.498 118.854 1.644 17835 2210 1 6 . 1 1 18 18 LEU HA H 15 3.985 3.985 3.964 0.021 17835 2211 1 6 . 1 1 18 18 LEU C C 15 179.935 179.935 178.963 0.972 17835 2212 1 6 . 1 1 18 18 LEU CA C 15 58.474 58.474 57.651 0.823 17835 2213 1 6 . 1 1 18 18 LEU CB C 15 41.885 41.885 41.509 0.376 17835 2214 1 6 . 1 1 18 18 LEU H H 15 8.388 8.388 8.005 0.383 17835 2215 1 6 . 1 1 19 19 GLN N N 16 117.835 117.835 117.287 0.548 17835 2216 1 6 . 1 1 19 19 GLN HA H 16 3.981 3.981 4.084 -0.103 17835 2217 1 6 . 1 1 19 19 GLN C C 16 177.304 177.304 178.771 -1.467 17835 2218 1 6 . 1 1 19 19 GLN CA C 16 58.668 58.668 58.156 0.512 17835 2219 1 6 . 1 1 19 19 GLN CB C 16 28.274 28.274 28.507 -0.233 17835 2220 1 6 . 1 1 19 19 GLN H H 16 8.689 8.689 8.257 0.432 17835 2221 1 6 . 1 1 20 20 SER N N 17 111.043 111.043 115.334 -4.291 17835 2222 1 6 . 1 1 20 20 SER HA H 17 4.386 4.386 4.343 0.043 17835 2223 1 6 . 1 1 20 20 SER C C 17 173.630 173.630 176.201 -2.571 17835 2224 1 6 . 1 1 20 20 SER CA C 17 59.252 59.252 60.871 -1.619 17835 2225 1 6 . 1 1 20 20 SER CB C 17 63.600 63.600 63.772 -0.172 17835 2226 1 6 . 1 1 20 20 SER H H 17 7.461 7.461 7.993 -0.532 17835 2227 1 6 . 1 1 21 21 HIS N N 18 121.324 121.324 119.737 1.587 17835 2228 1 6 . 1 1 21 21 HIS HA H 18 4.824 4.824 4.819 0.005 17835 2229 1 6 . 1 1 21 21 HIS C C 18 174.835 174.835 175.226 -0.391 17835 2230 1 6 . 1 1 21 21 HIS CA C 18 54.386 54.386 52.708 1.678 17835 2231 1 6 . 1 1 21 21 HIS CB C 18 28.657 28.657 27.255 1.402 17835 2232 1 6 . 1 1 21 21 HIS H H 18 7.692 7.692 8.246 -0.554 17835 2233 1 6 . 1 1 22 22 LYS N N 19 123.925 123.925 120.888 3.037 17835 2234 1 6 . 1 1 22 22 LYS HA H 19 4.161 4.161 4.133 0.028 17835 2235 1 6 . 1 1 22 22 LYS C C 19 177.562 177.562 177.593 -0.031 17835 2236 1 6 . 1 1 22 22 LYS CA C 19 59.316 59.316 58.411 0.905 17835 2237 1 6 . 1 1 22 22 LYS CB C 19 32.202 32.202 32.187 0.015 17835 2238 1 6 . 1 1 22 22 LYS H H 19 8.809 8.809 7.584 1.225 17835 2239 1 6 . 1 1 23 23 ASN N N 20 115.473 115.473 115.961 -0.488 17835 2240 1 6 . 1 1 23 23 ASN HA H 20 5.073 5.073 4.662 0.411 17835 2241 1 6 . 1 1 23 23 ASN C C 20 174.783 174.783 175.987 -1.204 17835 2242 1 6 . 1 1 23 23 ASN CA C 20 52.835 52.835 53.937 -1.102 17835 2243 1 6 . 1 1 23 23 ASN CB C 20 38.540 38.540 39.042 -0.502 17835 2244 1 6 . 1 1 23 23 ASN H H 20 8.784 8.784 8.132 0.652 17835 2245 1 6 . 1 1 24 24 GLY N N 21 107.402 107.402 107.328 0.074 17835 2246 1 6 . 1 1 24 24 GLY C C 21 172.572 172.572 172.956 -0.384 17835 2247 1 6 . 1 1 24 24 GLY CA C 21 44.739 44.739 44.362 0.377 17835 2248 1 6 . 1 1 24 24 GLY H H 21 7.743 7.743 7.906 -0.163 17835 2249 1 6 . 1 1 25 25 ILE N N 22 117.796 117.796 115.348 2.448 17835 2250 1 6 . 1 1 25 25 ILE HA H 22 4.272 4.272 4.605 -0.333 17835 2251 1 6 . 1 1 25 25 ILE C C 22 175.452 175.452 175.247 0.205 17835 2252 1 6 . 1 1 25 25 ILE CA C 22 59.468 59.468 59.704 -0.236 17835 2253 1 6 . 1 1 25 25 ILE CB C 22 41.833 41.833 40.863 0.970 17835 2254 1 6 . 1 1 25 25 ILE H H 22 8.509 8.509 7.972 0.537 17835 2255 1 6 . 1 1 26 26 VAL N N 23 124.597 124.597 121.489 3.108 17835 2256 1 6 . 1 1 26 26 VAL HA H 23 4.585 4.585 4.575 0.010 17835 2257 1 6 . 1 1 26 26 VAL C C 23 177.566 177.566 177.642 -0.076 17835 2258 1 6 . 1 1 26 26 VAL CA C 23 62.227 62.227 62.057 0.170 17835 2259 1 6 . 1 1 26 26 VAL CB C 23 31.945 31.945 32.307 -0.362 17835 2260 1 6 . 1 1 26 26 VAL H H 23 8.524 8.524 8.280 0.244 17835 2261 1 6 . 1 1 27 27 LEU N N 24 124.858 124.858 121.687 3.171 17835 2262 1 6 . 1 1 27 27 LEU HA H 24 4.011 4.011 4.341 -0.330 17835 2263 1 6 . 1 1 27 27 LEU C C 24 175.569 175.569 176.570 -1.001 17835 2264 1 6 . 1 1 27 27 LEU CA C 24 60.394 60.394 58.904 1.490 17835 2265 1 6 . 1 1 27 27 LEU CB C 24 39.402 39.402 38.880 0.522 17835 2266 1 6 . 1 1 27 27 LEU H H 24 8.816 8.816 8.252 0.564 17835 2267 1 6 . 1 1 28 28 PRO HA H 25 4.401 4.401 4.262 0.139 17835 2268 1 6 . 1 1 28 28 PRO C C 25 177.600 177.600 179.218 -1.618 17835 2269 1 6 . 1 1 28 28 PRO CA C 25 65.549 65.549 65.812 -0.263 17835 2270 1 6 . 1 1 28 28 PRO CB C 25 31.458 31.458 30.853 0.605 17835 2271 1 6 . 1 1 29 29 ARG N N 26 115.136 115.136 119.241 -4.105 17835 2272 1 6 . 1 1 29 29 ARG HA H 26 4.511 4.511 4.118 0.393 17835 2273 1 6 . 1 1 29 29 ARG C C 26 177.152 177.152 178.193 -1.041 17835 2274 1 6 . 1 1 29 29 ARG CA C 26 55.853 55.853 59.247 -3.394 17835 2275 1 6 . 1 1 29 29 ARG CB C 26 30.981 30.981 29.983 0.998 17835 2276 1 6 . 1 1 29 29 ARG H H 26 7.869 7.869 7.779 0.090 17835 2277 1 6 . 1 1 30 30 LEU N N 27 122.984 122.984 121.965 1.019 17835 2278 1 6 . 1 1 30 30 LEU HA H 27 3.842 3.842 3.971 -0.129 17835 2279 1 6 . 1 1 30 30 LEU C C 27 177.872 177.872 178.466 -0.594 17835 2280 1 6 . 1 1 30 30 LEU CA C 27 59.458 59.458 58.622 0.836 17835 2281 1 6 . 1 1 30 30 LEU CB C 27 42.326 42.326 41.314 1.012 17835 2282 1 6 . 1 1 30 30 LEU H H 27 7.870 7.870 8.654 -0.784 17835 2283 1 6 . 1 1 31 31 GLN N N 28 117.382 117.382 117.683 -0.301 17835 2284 1 6 . 1 1 31 31 GLN HA H 28 4.689 4.689 4.024 0.665 17835 2285 1 6 . 1 1 31 31 GLN C C 28 178.888 178.888 179.109 -0.221 17835 2286 1 6 . 1 1 31 31 GLN CA C 28 60.243 60.243 59.711 0.532 17835 2287 1 6 . 1 1 31 31 GLN CB C 28 27.811 27.811 28.391 -0.580 17835 2288 1 6 . 1 1 31 31 GLN H H 28 9.217 9.217 8.060 1.157 17835 2289 1 6 . 1 1 32 32 GLY N N 29 105.066 105.066 107.763 -2.697 17835 2290 1 6 . 1 1 32 32 GLY C C 29 177.579 177.579 176.560 1.019 17835 2291 1 6 . 1 1 32 32 GLY CA C 29 47.254 47.254 47.293 -0.039 17835 2292 1 6 . 1 1 32 32 GLY H H 29 8.680 8.680 8.387 0.293 17835 2293 1 6 . 1 1 33 33 GLU N N 30 121.593 121.593 122.997 -1.404 17835 2294 1 6 . 1 1 33 33 GLU HA H 30 4.274 4.274 4.206 0.068 17835 2295 1 6 . 1 1 33 33 GLU C C 30 179.316 179.316 178.899 0.417 17835 2296 1 6 . 1 1 33 33 GLU CA C 30 59.068 59.068 58.536 0.532 17835 2297 1 6 . 1 1 33 33 GLU CB C 30 29.077 29.077 29.391 -0.314 17835 2298 1 6 . 1 1 33 33 GLU H H 30 8.063 8.063 8.260 -0.197 17835 2299 1 6 . 1 1 34 34 TYR N N 31 123.143 123.143 122.032 1.111 17835 2300 1 6 . 1 1 34 34 TYR HA H 31 4.083 4.083 4.051 0.032 17835 2301 1 6 . 1 1 34 34 TYR C C 31 178.379 178.379 177.208 1.171 17835 2302 1 6 . 1 1 34 34 TYR CA C 31 62.406 62.406 61.801 0.605 17835 2303 1 6 . 1 1 34 34 TYR CB C 31 39.405 39.405 38.420 0.984 17835 2304 1 6 . 1 1 34 34 TYR H H 31 9.063 9.063 8.882 0.181 17835 2305 1 6 . 1 1 35 35 ARG N N 32 123.458 123.458 119.683 3.775 17835 2306 1 6 . 1 1 35 35 ARG HA H 32 4.281 4.281 3.928 0.353 17835 2307 1 6 . 1 1 35 35 ARG C C 32 180.186 180.186 178.971 1.215 17835 2308 1 6 . 1 1 35 35 ARG CA C 32 58.908 58.908 59.145 -0.237 17835 2309 1 6 . 1 1 35 35 ARG CB C 32 29.708 29.708 29.989 -0.281 17835 2310 1 6 . 1 1 35 35 ARG H H 32 9.321 9.321 8.572 0.749 17835 2311 1 6 . 1 1 36 36 SER N N 33 116.071 116.071 115.786 0.285 17835 2312 1 6 . 1 1 36 36 SER HA H 33 4.048 4.048 4.074 -0.026 17835 2313 1 6 . 1 1 36 36 SER C C 33 175.063 175.063 175.763 -0.700 17835 2314 1 6 . 1 1 36 36 SER CA C 33 61.856 61.856 61.067 0.789 17835 2315 1 6 . 1 1 36 36 SER CB C 33 62.779 62.779 63.013 -0.234 17835 2316 1 6 . 1 1 36 36 SER H H 33 8.078 8.078 7.959 0.119 17835 2317 1 6 . 1 1 37 37 LEU N N 34 118.571 118.571 122.180 -3.609 17835 2318 1 6 . 1 1 37 37 LEU HA H 34 4.342 4.342 4.199 0.143 17835 2319 1 6 . 1 1 37 37 LEU C C 34 178.400 178.400 178.282 0.118 17835 2320 1 6 . 1 1 37 37 LEU CA C 34 57.073 57.073 57.071 0.002 17835 2321 1 6 . 1 1 37 37 LEU CB C 34 43.132 43.132 42.451 0.681 17835 2322 1 6 . 1 1 37 37 LEU H H 34 7.167 7.167 7.514 -0.347 17835 2323 1 6 . 1 1 38 38 THR N N 35 106.425 106.425 108.455 -2.030 17835 2324 1 6 . 1 1 38 38 THR HA H 35 4.163 4.163 4.107 0.056 17835 2325 1 6 . 1 1 38 38 THR C C 35 176.259 176.259 175.922 0.337 17835 2326 1 6 . 1 1 38 38 THR CA C 35 62.637 62.637 62.451 0.186 17835 2327 1 6 . 1 1 38 38 THR CB C 35 71.659 71.659 69.675 1.984 17835 2328 1 6 . 1 1 38 38 THR H H 35 8.168 8.168 7.900 0.268 17835 2329 1 6 . 1 1 39 39 GLY N N 36 112.162 112.162 111.417 0.745 17835 2330 1 6 . 1 1 39 39 GLY C C 36 172.464 172.464 172.905 -0.441 17835 2331 1 6 . 1 1 39 39 GLY CA C 36 45.225 45.225 45.157 0.068 17835 2332 1 6 . 1 1 39 39 GLY H H 36 8.759 8.759 8.095 0.664 17835 2333 1 6 . 1 1 40 40 ASP N N 37 121.106 121.106 118.289 2.817 17835 2334 1 6 . 1 1 40 40 ASP HA H 37 4.733 4.733 4.723 0.010 17835 2335 1 6 . 1 1 40 40 ASP C C 37 173.861 173.861 174.027 -0.166 17835 2336 1 6 . 1 1 40 40 ASP CA C 37 52.159 52.159 51.850 0.309 17835 2337 1 6 . 1 1 40 40 ASP CB C 37 44.573 44.573 43.605 0.968 17835 2338 1 6 . 1 1 40 40 ASP H H 37 8.414 8.414 7.535 0.879 17835 2339 1 6 . 1 1 41 41 TRP N N 38 115.206 115.206 119.315 -4.109 17835 2340 1 6 . 1 1 41 41 TRP HA H 38 5.107 5.107 4.907 0.200 17835 2341 1 6 . 1 1 41 41 TRP C C 38 177.125 177.125 177.774 -0.649 17835 2342 1 6 . 1 1 41 41 TRP CA C 38 54.889 54.889 56.247 -1.358 17835 2343 1 6 . 1 1 41 41 TRP CB C 38 31.592 31.592 30.797 0.795 17835 2344 1 6 . 1 1 41 41 TRP H H 38 8.016 8.016 8.282 -0.266 17835 2345 1 6 . 1 1 42 42 ILE N N 39 123.723 123.723 123.231 0.492 17835 2346 1 6 . 1 1 42 42 ILE HA H 39 3.512 3.512 3.566 -0.054 17835 2347 1 6 . 1 1 42 42 ILE C C 39 177.199 177.199 176.068 1.131 17835 2348 1 6 . 1 1 42 42 ILE CA C 39 60.467 60.467 60.369 0.098 17835 2349 1 6 . 1 1 42 42 ILE CB C 39 38.133 38.133 36.852 1.281 17835 2350 1 6 . 1 1 42 42 ILE H H 39 10.079 10.079 9.238 0.841 17835 2351 1 6 . 1 1 43 43 PRO HA H 40 4.600 4.600 4.706 -0.106 17835 2352 1 6 . 1 1 43 43 PRO C C 40 174.997 174.997 176.832 -1.835 17835 2353 1 6 . 1 1 43 43 PRO CA C 40 62.511 62.511 62.366 0.145 17835 2354 1 6 . 1 1 43 43 PRO CB C 40 27.857 27.857 29.347 -1.490 17835 2355 1 6 . 1 1 44 44 PHE N N 41 118.808 118.808 120.085 -1.277 17835 2356 1 6 . 1 1 44 44 PHE HA H 41 3.737 3.737 4.218 -0.481 17835 2357 1 6 . 1 1 44 44 PHE C C 41 175.891 175.891 176.756 -0.865 17835 2358 1 6 . 1 1 44 44 PHE CA C 41 60.911 60.911 61.876 -0.965 17835 2359 1 6 . 1 1 44 44 PHE CB C 41 38.412 38.412 37.601 0.811 17835 2360 1 6 . 1 1 44 44 PHE H H 41 7.647 7.647 7.908 -0.261 17835 2361 1 6 . 1 1 45 45 LYS N N 42 123.543 123.543 119.839 3.704 17835 2362 1 6 . 1 1 45 45 LYS HA H 42 4.763 4.763 4.103 0.660 17835 2363 1 6 . 1 1 45 45 LYS C C 42 181.828 181.828 178.672 3.156 17835 2364 1 6 . 1 1 45 45 LYS CA C 42 58.959 58.959 58.583 0.376 17835 2365 1 6 . 1 1 45 45 LYS CB C 42 31.599 31.599 31.567 0.032 17835 2366 1 6 . 1 1 45 45 LYS H H 42 7.387 7.387 7.250 0.137 17835 2367 1 6 . 1 1 46 46 GLN N N 43 123.171 123.171 118.262 4.909 17835 2368 1 6 . 1 1 46 46 GLN HA H 43 3.896 3.896 4.006 -0.110 17835 2369 1 6 . 1 1 46 46 GLN C C 43 178.167 178.167 177.921 0.246 17835 2370 1 6 . 1 1 46 46 GLN CA C 43 59.066 59.066 58.415 0.651 17835 2371 1 6 . 1 1 46 46 GLN CB C 43 27.702 27.702 28.260 -0.558 17835 2372 1 6 . 1 1 46 46 GLN H H 43 8.567 8.567 7.888 0.679 17835 2373 1 6 . 1 1 47 47 LEU N N 44 116.472 116.472 117.767 -1.295 17835 2374 1 6 . 1 1 47 47 LEU HA H 44 4.255 4.255 4.271 -0.016 17835 2375 1 6 . 1 1 47 47 LEU C C 44 176.103 176.103 177.918 -1.815 17835 2376 1 6 . 1 1 47 47 LEU CA C 44 55.308 55.308 55.584 -0.276 17835 2377 1 6 . 1 1 47 47 LEU CB C 44 41.374 41.374 42.880 -1.506 17835 2378 1 6 . 1 1 47 47 LEU H H 44 7.544 7.544 8.257 -0.713 17835 2379 1 6 . 1 1 48 48 GLY N N 45 104.932 104.932 103.994 0.938 17835 2380 1 6 . 1 1 48 48 GLY C C 45 173.844 173.844 174.402 -0.558 17835 2381 1 6 . 1 1 48 48 GLY CA C 45 44.826 44.826 44.421 0.405 17835 2382 1 6 . 1 1 48 48 GLY H H 45 7.741 7.741 7.876 -0.135 17835 2383 1 6 . 1 1 49 49 TYR N N 46 119.946 119.946 121.030 -1.084 17835 2384 1 6 . 1 1 49 49 TYR HA H 46 4.839 4.839 4.855 -0.016 17835 2385 1 6 . 1 1 49 49 TYR C C 46 174.575 174.575 174.954 -0.379 17835 2386 1 6 . 1 1 49 49 TYR CA C 46 56.349 56.349 56.087 0.262 17835 2387 1 6 . 1 1 49 49 TYR CB C 46 41.464 41.464 38.434 3.030 17835 2388 1 6 . 1 1 49 49 TYR H H 46 8.332 8.332 7.986 0.346 17835 2389 1 6 . 1 1 50 50 PRO HA H 47 4.556 4.556 4.462 0.094 17835 2390 1 6 . 1 1 50 50 PRO C C 47 177.125 177.125 176.905 0.220 17835 2391 1 6 . 1 1 50 50 PRO CA C 47 64.115 64.115 64.537 -0.422 17835 2392 1 6 . 1 1 50 50 PRO CB C 47 32.152 32.152 31.911 0.241 17835 2393 1 6 . 1 1 51 51 THR N N 48 105.643 105.643 107.448 -1.805 17835 2394 1 6 . 1 1 51 51 THR HA H 48 4.129 4.129 4.344 -0.215 17835 2395 1 6 . 1 1 51 51 THR C C 48 173.270 173.270 174.684 -1.414 17835 2396 1 6 . 1 1 51 51 THR CA C 48 58.738 58.738 59.848 -1.110 17835 2397 1 6 . 1 1 51 51 THR CB C 48 73.254 73.254 71.547 1.707 17835 2398 1 6 . 1 1 51 51 THR H H 48 6.939 6.939 7.500 -0.561 17835 2399 1 6 . 1 1 52 52 LEU N N 49 121.743 121.743 122.783 -1.040 17835 2400 1 6 . 1 1 52 52 LEU HA H 49 3.325 3.325 3.862 -0.537 17835 2401 1 6 . 1 1 52 52 LEU C C 49 178.195 178.195 178.685 -0.490 17835 2402 1 6 . 1 1 52 52 LEU CA C 49 57.551 57.551 57.702 -0.151 17835 2403 1 6 . 1 1 52 52 LEU CB C 49 40.517 40.517 40.532 -0.015 17835 2404 1 6 . 1 1 52 52 LEU H H 49 7.849 7.849 8.146 -0.297 17835 2405 1 6 . 1 1 53 53 GLU N N 50 118.706 118.706 118.920 -0.214 17835 2406 1 6 . 1 1 53 53 GLU HA H 50 3.411 3.411 3.884 -0.473 17835 2407 1 6 . 1 1 53 53 GLU C C 50 176.853 176.853 178.512 -1.659 17835 2408 1 6 . 1 1 53 53 GLU CA C 50 60.720 60.720 59.380 1.340 17835 2409 1 6 . 1 1 53 53 GLU CB C 50 28.696 28.696 28.753 -0.057 17835 2410 1 6 . 1 1 53 53 GLU H H 50 8.981 8.981 8.724 0.257 17835 2411 1 6 . 1 1 54 54 ALA N N 51 119.673 119.673 122.663 -2.990 17835 2412 1 6 . 1 1 54 54 ALA HA H 51 3.885 3.885 4.020 -0.135 17835 2413 1 6 . 1 1 54 54 ALA C C 51 180.232 180.232 179.396 0.836 17835 2414 1 6 . 1 1 54 54 ALA CA C 51 55.127 55.127 55.030 0.097 17835 2415 1 6 . 1 1 54 54 ALA CB C 51 18.345 18.345 18.466 -0.121 17835 2416 1 6 . 1 1 54 54 ALA H H 51 8.001 8.001 7.833 0.168 17835 2417 1 6 . 1 1 55 55 TYR N N 52 117.474 117.474 120.354 -2.880 17835 2418 1 6 . 1 1 55 55 TYR HA H 52 2.898 2.898 3.275 -0.377 17835 2419 1 6 . 1 1 55 55 TYR C C 52 178.563 178.563 177.471 1.092 17835 2420 1 6 . 1 1 55 55 TYR CA C 52 59.876 59.876 61.260 -1.384 17835 2421 1 6 . 1 1 55 55 TYR CB C 52 37.365 37.365 38.224 -0.859 17835 2422 1 6 . 1 1 55 55 TYR H H 52 7.218 7.218 8.011 -0.793 17835 2423 1 6 . 1 1 56 56 LEU N N 53 121.106 121.106 117.954 3.152 17835 2424 1 6 . 1 1 56 56 LEU HA H 53 3.221 3.221 3.635 -0.414 17835 2425 1 6 . 1 1 56 56 LEU C C 53 179.706 179.706 179.260 0.446 17835 2426 1 6 . 1 1 56 56 LEU CA C 53 57.334 57.334 57.434 -0.100 17835 2427 1 6 . 1 1 56 56 LEU CB C 53 40.788 40.788 41.587 -0.799 17835 2428 1 6 . 1 1 56 56 LEU H H 53 8.440 8.440 8.021 0.419 17835 2429 1 6 . 1 1 57 57 ARG N N 54 116.303 116.303 120.063 -3.760 17835 2430 1 6 . 1 1 57 57 ARG HA H 54 3.722 3.722 3.997 -0.275 17835 2431 1 6 . 1 1 57 57 ARG C C 54 176.071 176.071 177.791 -1.720 17835 2432 1 6 . 1 1 57 57 ARG CA C 54 58.463 58.463 58.647 -0.183 17835 2433 1 6 . 1 1 57 57 ARG CB C 54 29.735 29.735 29.910 -0.175 17835 2434 1 6 . 1 1 57 57 ARG H H 54 7.998 7.998 8.596 -0.598 17835 2435 1 6 . 1 1 58 58 SER N N 55 115.365 115.365 112.969 2.396 17835 2436 1 6 . 1 1 58 58 SER HA H 55 4.357 4.357 4.357 -0.000 17835 2437 1 6 . 1 1 58 58 SER C C 55 173.970 173.970 173.931 0.039 17835 2438 1 6 . 1 1 58 58 SER CA C 55 59.762 59.762 60.050 -0.288 17835 2439 1 6 . 1 1 58 58 SER CB C 55 63.886 63.886 63.372 0.514 17835 2440 1 6 . 1 1 58 58 SER H H 55 7.491 7.491 7.552 -0.061 17835 2441 1 6 . 1 1 59 59 VAL N N 56 113.059 113.059 120.248 -7.189 17835 2442 1 6 . 1 1 59 59 VAL HA H 56 5.090 5.090 4.505 0.585 17835 2443 1 6 . 1 1 59 59 VAL C C 56 174.276 174.276 173.770 0.506 17835 2444 1 6 . 1 1 59 59 VAL CA C 56 58.444 58.444 58.661 -0.217 17835 2445 1 6 . 1 1 59 59 VAL CB C 56 31.559 31.559 32.830 -1.271 17835 2446 1 6 . 1 1 59 59 VAL H H 56 6.729 6.729 7.017 -0.288 17835 2447 1 6 . 1 1 60 60 PRO HA H 57 4.902 4.902 4.708 0.194 17835 2448 1 6 . 1 1 60 60 PRO C C 57 177.563 177.563 177.222 0.341 17835 2449 1 6 . 1 1 60 60 PRO CA C 57 64.541 64.541 64.539 0.002 17835 2450 1 6 . 1 1 60 60 PRO CB C 57 31.768 31.768 31.775 -0.007 17835 2451 1 6 . 1 1 61 61 ALA N N 58 120.004 120.004 119.635 0.369 17835 2452 1 6 . 1 1 61 61 ALA HA H 58 4.327 4.327 4.249 0.078 17835 2453 1 6 . 1 1 61 61 ALA C C 58 177.191 177.191 177.661 -0.470 17835 2454 1 6 . 1 1 61 61 ALA CA C 58 52.795 52.795 53.605 -0.810 17835 2455 1 6 . 1 1 61 61 ALA CB C 58 18.427 18.427 19.215 -0.788 17835 2456 1 6 . 1 1 61 61 ALA H H 58 8.397 8.397 8.163 0.234 17835 2457 1 6 . 1 1 62 62 VAL N N 59 116.635 116.635 114.174 2.461 17835 2458 1 6 . 1 1 62 62 VAL HA H 59 4.032 4.032 4.330 -0.298 17835 2459 1 6 . 1 1 62 62 VAL C C 59 174.238 174.238 174.706 -0.468 17835 2460 1 6 . 1 1 62 62 VAL CA C 59 63.741 63.741 63.337 0.404 17835 2461 1 6 . 1 1 62 62 VAL CB C 59 34.115 34.115 34.851 -0.736 17835 2462 1 6 . 1 1 62 62 VAL H H 59 8.080 8.080 7.612 0.468 17835 2463 1 6 . 1 1 63 63 VAL N N 60 117.153 117.153 117.856 -0.703 17835 2464 1 6 . 1 1 63 63 VAL HA H 60 4.911 4.911 4.588 0.323 17835 2465 1 6 . 1 1 63 63 VAL C C 60 172.258 172.258 173.521 -1.263 17835 2466 1 6 . 1 1 63 63 VAL CA C 60 59.006 59.006 60.196 -1.190 17835 2467 1 6 . 1 1 63 63 VAL CB C 60 35.461 35.461 36.368 -0.907 17835 2468 1 6 . 1 1 63 63 VAL H H 60 7.791 7.791 8.162 -0.371 17835 2469 1 6 . 1 1 64 64 ARG N N 61 129.658 129.658 121.457 8.201 17835 2470 1 6 . 1 1 64 64 ARG HA H 61 4.727 4.727 4.667 0.060 17835 2471 1 6 . 1 1 64 64 ARG C C 61 174.437 174.437 173.548 0.889 17835 2472 1 6 . 1 1 64 64 ARG CA C 61 54.117 54.117 55.280 -1.163 17835 2473 1 6 . 1 1 64 64 ARG CB C 61 32.754 32.754 34.588 -1.834 17835 2474 1 6 . 1 1 64 64 ARG H H 61 9.208 9.208 8.909 0.299 17835 2475 1 6 . 1 1 65 65 ILE N N 62 125.775 125.775 118.198 7.577 17835 2476 1 6 . 1 1 65 65 ILE HA H 62 4.917 4.917 5.324 -0.407 17835 2477 1 6 . 1 1 65 65 ILE C C 62 175.842 175.842 174.498 1.344 17835 2478 1 6 . 1 1 65 65 ILE CA C 62 59.545 59.545 59.782 -0.237 17835 2479 1 6 . 1 1 65 65 ILE CB C 62 39.645 39.645 42.399 -2.754 17835 2480 1 6 . 1 1 65 65 ILE H H 62 8.736 8.736 8.312 0.424 17835 2481 1 6 . 1 1 66 66 GLU N N 63 127.114 127.114 123.049 4.065 17835 2482 1 6 . 1 1 66 66 GLU HA H 63 4.677 4.677 4.722 -0.045 17835 2483 1 6 . 1 1 66 66 GLU C C 63 174.409 174.409 175.373 -0.964 17835 2484 1 6 . 1 1 66 66 GLU CA C 63 54.791 54.791 55.176 -0.385 17835 2485 1 6 . 1 1 66 66 GLU CB C 63 33.078 33.078 32.057 1.021 17835 2486 1 6 . 1 1 66 66 GLU H H 63 9.197 9.197 9.087 0.110 17835 2487 1 6 . 1 1 67 67 ALA N N 64 127.913 127.913 129.662 -1.749 17835 2488 1 6 . 1 1 67 67 ALA HA H 64 5.026 5.026 4.680 0.346 17835 2489 1 6 . 1 1 67 67 ALA C C 64 177.717 177.717 177.145 0.572 17835 2490 1 6 . 1 1 67 67 ALA CA C 64 51.070 51.070 51.750 -0.680 17835 2491 1 6 . 1 1 67 67 ALA CB C 64 19.550 19.550 18.982 0.568 17835 2492 1 6 . 1 1 67 67 ALA H H 64 8.779 8.779 8.637 0.142 17835 2493 1 6 . 1 1 68 68 SER N N 65 119.364 119.364 119.669 -0.305 17835 2494 1 6 . 1 1 68 68 SER HA H 65 4.665 4.665 4.508 0.157 17835 2495 1 6 . 1 1 68 68 SER C C 65 176.518 176.518 176.665 -0.147 17835 2496 1 6 . 1 1 68 68 SER CA C 65 57.096 57.096 57.288 -0.192 17835 2497 1 6 . 1 1 68 68 SER CB C 65 65.234 65.234 64.328 0.906 17835 2498 1 6 . 1 1 68 68 SER H H 65 8.951 8.951 8.706 0.245 17835 2499 1 6 . 1 1 69 69 ARG N N 66 123.143 123.143 126.298 -3.155 17835 2500 1 6 . 1 1 69 69 ARG HA H 66 4.153 4.153 4.189 -0.036 17835 2501 1 6 . 1 1 69 69 ARG C C 66 177.356 177.356 176.753 0.603 17835 2502 1 6 . 1 1 69 69 ARG CA C 66 58.973 58.973 57.936 1.037 17835 2503 1 6 . 1 1 69 69 ARG CB C 66 29.659 29.659 29.454 0.205 17835 2504 1 6 . 1 1 69 69 ARG H H 66 9.075 9.075 8.952 0.123 17835 2505 1 6 . 1 1 70 70 SER N N 67 112.081 112.081 115.659 -3.578 17835 2506 1 6 . 1 1 70 70 SER HA H 67 4.416 4.416 4.363 0.053 17835 2507 1 6 . 1 1 70 70 SER C C 67 175.146 175.146 175.364 -0.218 17835 2508 1 6 . 1 1 70 70 SER CA C 67 58.413 58.413 58.491 -0.078 17835 2509 1 6 . 1 1 70 70 SER CB C 67 63.477 63.477 63.516 -0.039 17835 2510 1 6 . 1 1 70 70 SER H H 67 8.083 8.083 7.743 0.340 17835 2511 1 6 . 1 1 71 71 GLY N N 68 110.519 110.519 109.137 1.382 17835 2512 1 6 . 1 1 71 71 GLY C C 68 174.116 174.116 173.528 0.588 17835 2513 1 6 . 1 1 71 71 GLY CA C 68 45.114 45.114 45.155 -0.041 17835 2514 1 6 . 1 1 71 71 GLY H H 68 7.974 7.974 7.840 0.134 17835 2515 1 6 . 1 1 72 72 GLU N N 69 120.663 120.663 119.103 1.560 17835 2516 1 6 . 1 1 72 72 GLU HA H 69 4.289 4.289 4.696 -0.407 17835 2517 1 6 . 1 1 72 72 GLU C C 69 175.352 175.352 174.338 1.014 17835 2518 1 6 . 1 1 72 72 GLU CA C 69 56.082 56.082 54.467 1.615 17835 2519 1 6 . 1 1 72 72 GLU CB C 69 30.517 30.517 32.886 -2.369 17835 2520 1 6 . 1 1 72 72 GLU H H 69 7.630 7.630 7.573 0.057 17835 2521 1 6 . 1 1 73 73 ILE N N 70 125.775 125.775 121.968 3.807 17835 2522 1 6 . 1 1 73 73 ILE HA H 70 4.367 4.367 4.990 -0.623 17835 2523 1 6 . 1 1 73 73 ILE C C 70 174.613 174.613 173.663 0.950 17835 2524 1 6 . 1 1 73 73 ILE CA C 70 60.876 60.876 59.431 1.444 17835 2525 1 6 . 1 1 73 73 ILE CB C 70 37.465 37.465 41.512 -4.047 17835 2526 1 6 . 1 1 73 73 ILE H H 70 8.753 8.753 8.439 0.314 17835 2527 1 6 . 1 1 74 74 VAL N N 71 128.300 128.300 127.321 0.979 17835 2528 1 6 . 1 1 74 74 VAL HA H 71 4.153 4.153 4.369 -0.216 17835 2529 1 6 . 1 1 74 74 VAL C C 71 173.544 173.544 174.610 -1.066 17835 2530 1 6 . 1 1 74 74 VAL CA C 71 61.736 61.736 60.602 1.135 17835 2531 1 6 . 1 1 74 74 VAL CB C 71 33.763 33.763 33.756 0.007 17835 2532 1 6 . 1 1 74 74 VAL H H 71 8.724 8.724 8.681 0.043 17835 2533 1 6 . 1 1 75 75 CYS N N 72 122.823 122.823 125.421 -2.598 17835 2534 1 6 . 1 1 75 75 CYS HA H 72 4.948 4.948 4.894 0.054 17835 2535 1 6 . 1 1 75 75 CYS C C 72 173.200 173.200 173.824 -0.624 17835 2536 1 6 . 1 1 75 75 CYS CA C 72 57.176 57.176 58.263 -1.087 17835 2537 1 6 . 1 1 75 75 CYS CB C 72 29.712 29.712 29.163 0.549 17835 2538 1 6 . 1 1 75 75 CYS H H 72 8.200 8.200 8.727 -0.527 17835 2539 1 6 . 1 1 76 76 TYR N N 73 119.584 119.584 118.780 0.804 17835 2540 1 6 . 1 1 76 76 TYR HA H 73 5.013 5.013 4.773 0.240 17835 2541 1 6 . 1 1 76 76 TYR C C 73 175.779 175.779 174.957 0.822 17835 2542 1 6 . 1 1 76 76 TYR CA C 73 56.289 56.289 57.136 -0.847 17835 2543 1 6 . 1 1 76 76 TYR CB C 73 42.505 42.505 43.002 -0.497 17835 2544 1 6 . 1 1 76 76 TYR H H 73 9.265 9.265 9.251 0.014 17835 2545 1 6 . 1 1 77 77 ALA N N 74 122.844 122.844 121.753 1.091 17835 2546 1 6 . 1 1 77 77 ALA HA H 74 4.423 4.423 4.576 -0.153 17835 2547 1 6 . 1 1 77 77 ALA C C 74 177.907 177.907 175.575 2.332 17835 2548 1 6 . 1 1 77 77 ALA CA C 74 52.151 52.151 51.421 0.730 17835 2549 1 6 . 1 1 77 77 ALA CB C 74 18.915 18.915 20.880 -1.965 17835 2550 1 6 . 1 1 77 77 ALA H H 74 9.145 9.145 8.871 0.274 17835 2551 1 6 . 1 1 78 78 VAL N N 75 123.434 123.434 116.649 6.785 17835 2552 1 6 . 1 1 78 78 VAL HA H 75 3.826 3.826 4.348 -0.522 17835 2553 1 6 . 1 1 78 78 VAL C C 75 174.995 174.995 174.931 0.064 17835 2554 1 6 . 1 1 78 78 VAL CA C 75 63.379 63.379 62.825 0.554 17835 2555 1 6 . 1 1 78 78 VAL CB C 75 32.715 32.715 35.006 -2.291 17835 2556 1 6 . 1 1 78 78 VAL H H 75 7.894 7.894 8.401 -0.507 17835 2557 1 7 . 1 1 5 5 LEU N N 2 124.907 124.907 122.152 2.755 17835 2558 1 7 . 1 1 5 5 LEU HA H 2 4.299 4.299 4.444 -0.145 17835 2559 1 7 . 1 1 5 5 LEU C C 2 177.892 177.892 177.914 -0.022 17835 2560 1 7 . 1 1 5 5 LEU CA C 2 55.749 55.749 54.459 1.290 17835 2561 1 7 . 1 1 5 5 LEU CB C 2 42.001 42.001 42.560 -0.560 17835 2562 1 7 . 1 1 5 5 LEU H H 2 8.636 8.636 8.336 0.300 17835 2563 1 7 . 1 1 6 6 GLU N N 3 122.649 122.649 122.112 0.537 17835 2564 1 7 . 1 1 6 6 GLU HA H 3 4.172 4.172 3.956 0.216 17835 2565 1 7 . 1 1 6 6 GLU C C 3 177.481 177.481 178.520 -1.039 17835 2566 1 7 . 1 1 6 6 GLU CA C 3 58.106 58.106 60.065 -1.959 17835 2567 1 7 . 1 1 6 6 GLU CB C 3 28.874 28.874 29.719 -0.845 17835 2568 1 7 . 1 1 6 6 GLU H H 3 8.594 8.594 8.965 -0.371 17835 2569 1 7 . 1 1 7 7 ALA N N 4 121.929 121.929 121.272 0.657 17835 2570 1 7 . 1 1 7 7 ALA HA H 4 3.944 3.944 4.186 -0.242 17835 2571 1 7 . 1 1 7 7 ALA C C 4 180.419 180.419 179.324 1.095 17835 2572 1 7 . 1 1 7 7 ALA CA C 4 55.686 55.686 55.044 0.642 17835 2573 1 7 . 1 1 7 7 ALA CB C 4 18.587 18.587 18.006 0.581 17835 2574 1 7 . 1 1 7 7 ALA H H 4 8.744 8.744 8.404 0.340 17835 2575 1 7 . 1 1 8 8 ASP N N 5 117.514 117.514 119.552 -2.038 17835 2576 1 7 . 1 1 8 8 ASP HA H 5 4.482 4.482 4.514 -0.032 17835 2577 1 7 . 1 1 8 8 ASP C C 5 178.010 178.010 178.172 -0.162 17835 2578 1 7 . 1 1 8 8 ASP CA C 5 56.603 56.603 56.771 -0.168 17835 2579 1 7 . 1 1 8 8 ASP CB C 5 40.353 40.353 40.707 -0.354 17835 2580 1 7 . 1 1 8 8 ASP H H 5 8.071 8.071 8.259 -0.188 17835 2581 1 7 . 1 1 9 9 LEU N N 6 122.640 122.640 121.556 1.084 17835 2582 1 7 . 1 1 9 9 LEU HA H 6 4.165 4.165 3.992 0.173 17835 2583 1 7 . 1 1 9 9 LEU C C 6 178.699 178.699 178.501 0.198 17835 2584 1 7 . 1 1 9 9 LEU CA C 6 57.986 57.986 58.331 -0.345 17835 2585 1 7 . 1 1 9 9 LEU CB C 6 41.675 41.675 42.121 -0.446 17835 2586 1 7 . 1 1 9 9 LEU H H 6 7.713 7.713 8.223 -0.510 17835 2587 1 7 . 1 1 10 10 VAL N N 7 119.303 119.303 114.988 4.315 17835 2588 1 7 . 1 1 10 10 VAL HA H 7 4.025 4.025 3.718 0.307 17835 2589 1 7 . 1 1 10 10 VAL C C 7 178.570 178.570 177.953 0.617 17835 2590 1 7 . 1 1 10 10 VAL CA C 7 65.683 65.683 66.881 -1.198 17835 2591 1 7 . 1 1 10 10 VAL CB C 7 31.841 31.841 31.476 0.365 17835 2592 1 7 . 1 1 10 10 VAL H H 7 8.115 8.115 8.259 -0.144 17835 2593 1 7 . 1 1 11 11 SER N N 8 113.146 113.146 118.376 -5.230 17835 2594 1 7 . 1 1 11 11 SER HA H 8 4.042 4.042 4.319 -0.277 17835 2595 1 7 . 1 1 11 11 SER C C 8 176.364 176.364 176.738 -0.374 17835 2596 1 7 . 1 1 11 11 SER CA C 8 62.600 62.600 62.675 -0.075 17835 2597 1 7 . 1 1 11 11 SER CB C 8 61.596 61.596 63.205 -1.609 17835 2598 1 7 . 1 1 11 11 SER H H 8 7.796 7.796 8.085 -0.289 17835 2599 1 7 . 1 1 12 12 LYS N N 9 121.690 121.690 121.986 -0.296 17835 2600 1 7 . 1 1 12 12 LYS HA H 9 4.044 4.044 3.990 0.054 17835 2601 1 7 . 1 1 12 12 LYS C C 9 180.048 180.048 178.799 1.249 17835 2602 1 7 . 1 1 12 12 LYS CA C 9 60.002 60.002 59.721 0.281 17835 2603 1 7 . 1 1 12 12 LYS CB C 9 32.839 32.839 32.386 0.453 17835 2604 1 7 . 1 1 12 12 LYS H H 9 7.754 7.754 8.313 -0.559 17835 2605 1 7 . 1 1 13 13 MET N N 10 119.794 119.794 118.905 0.889 17835 2606 1 7 . 1 1 13 13 MET HA H 10 4.420 4.420 4.128 0.292 17835 2607 1 7 . 1 1 13 13 MET C C 10 178.151 178.151 178.300 -0.149 17835 2608 1 7 . 1 1 13 13 MET CA C 10 57.095 57.095 59.106 -2.011 17835 2609 1 7 . 1 1 13 13 MET CB C 10 31.599 31.599 32.670 -1.071 17835 2610 1 7 . 1 1 13 13 MET H H 10 8.451 8.451 8.325 0.126 17835 2611 1 7 . 1 1 14 14 LEU N N 11 122.035 122.035 122.219 -0.184 17835 2612 1 7 . 1 1 14 14 LEU HA H 11 4.207 4.207 4.119 0.088 17835 2613 1 7 . 1 1 14 14 LEU C C 11 178.526 178.526 177.976 0.550 17835 2614 1 7 . 1 1 14 14 LEU CA C 11 58.178 58.178 59.126 -0.948 17835 2615 1 7 . 1 1 14 14 LEU CB C 11 42.148 42.148 41.778 0.370 17835 2616 1 7 . 1 1 14 14 LEU H H 11 9.301 9.301 8.680 0.621 17835 2617 1 7 . 1 1 15 15 ARG N N 12 118.150 118.150 119.346 -1.196 17835 2618 1 7 . 1 1 15 15 ARG HA H 12 3.839 3.839 3.873 -0.034 17835 2619 1 7 . 1 1 15 15 ARG C C 12 177.951 177.951 178.395 -0.444 17835 2620 1 7 . 1 1 15 15 ARG CA C 12 60.500 60.500 59.265 1.235 17835 2621 1 7 . 1 1 15 15 ARG CB C 12 29.966 29.966 29.790 0.176 17835 2622 1 7 . 1 1 15 15 ARG H H 12 8.248 8.248 8.470 -0.222 17835 2623 1 7 . 1 1 16 16 ALA N N 13 120.291 120.291 121.952 -1.661 17835 2624 1 7 . 1 1 16 16 ALA HA H 13 4.150 4.150 4.037 0.113 17835 2625 1 7 . 1 1 16 16 ALA C C 13 181.072 181.072 179.605 1.467 17835 2626 1 7 . 1 1 16 16 ALA CA C 13 55.371 55.371 55.025 0.346 17835 2627 1 7 . 1 1 16 16 ALA CB C 13 17.845 17.845 18.531 -0.686 17835 2628 1 7 . 1 1 16 16 ALA H H 13 7.587 7.587 8.127 -0.540 17835 2629 1 7 . 1 1 17 17 VAL N N 14 119.183 119.183 119.171 0.012 17835 2630 1 7 . 1 1 17 17 VAL HA H 14 3.858 3.858 3.259 0.599 17835 2631 1 7 . 1 1 17 17 VAL C C 14 178.531 178.531 177.912 0.619 17835 2632 1 7 . 1 1 17 17 VAL CA C 14 65.552 65.552 66.898 -1.346 17835 2633 1 7 . 1 1 17 17 VAL CB C 14 32.190 32.190 31.622 0.568 17835 2634 1 7 . 1 1 17 17 VAL H H 14 8.324 8.324 8.103 0.221 17835 2635 1 7 . 1 1 18 18 LEU N N 15 120.498 120.498 118.766 1.732 17835 2636 1 7 . 1 1 18 18 LEU HA H 15 3.985 3.985 3.956 0.029 17835 2637 1 7 . 1 1 18 18 LEU C C 15 179.935 179.935 178.988 0.947 17835 2638 1 7 . 1 1 18 18 LEU CA C 15 58.474 58.474 57.635 0.839 17835 2639 1 7 . 1 1 18 18 LEU CB C 15 41.885 41.885 41.484 0.401 17835 2640 1 7 . 1 1 18 18 LEU H H 15 8.388 8.388 7.997 0.391 17835 2641 1 7 . 1 1 19 19 GLN N N 16 117.835 117.835 117.332 0.503 17835 2642 1 7 . 1 1 19 19 GLN HA H 16 3.981 3.981 4.063 -0.082 17835 2643 1 7 . 1 1 19 19 GLN C C 16 177.304 177.304 179.117 -1.813 17835 2644 1 7 . 1 1 19 19 GLN CA C 16 58.668 58.668 58.456 0.212 17835 2645 1 7 . 1 1 19 19 GLN CB C 16 28.274 28.274 28.357 -0.083 17835 2646 1 7 . 1 1 19 19 GLN H H 16 8.689 8.689 8.300 0.389 17835 2647 1 7 . 1 1 20 20 SER N N 17 111.043 111.043 117.043 -6.000 17835 2648 1 7 . 1 1 20 20 SER HA H 17 4.386 4.386 4.330 0.056 17835 2649 1 7 . 1 1 20 20 SER C C 17 173.630 173.630 176.527 -2.897 17835 2650 1 7 . 1 1 20 20 SER CA C 17 59.252 59.252 61.290 -2.038 17835 2651 1 7 . 1 1 20 20 SER CB C 17 63.600 63.600 63.631 -0.031 17835 2652 1 7 . 1 1 20 20 SER H H 17 7.461 7.461 8.058 -0.597 17835 2653 1 7 . 1 1 21 21 HIS N N 18 121.324 121.324 120.122 1.202 17835 2654 1 7 . 1 1 21 21 HIS HA H 18 4.824 4.824 4.776 0.048 17835 2655 1 7 . 1 1 21 21 HIS C C 18 174.835 174.835 175.417 -0.582 17835 2656 1 7 . 1 1 21 21 HIS CA C 18 54.386 54.386 52.847 1.539 17835 2657 1 7 . 1 1 21 21 HIS CB C 18 28.657 28.657 27.125 1.532 17835 2658 1 7 . 1 1 21 21 HIS H H 18 7.692 7.692 8.330 -0.638 17835 2659 1 7 . 1 1 22 22 LYS N N 19 123.925 123.925 120.968 2.957 17835 2660 1 7 . 1 1 22 22 LYS HA H 19 4.161 4.161 4.110 0.051 17835 2661 1 7 . 1 1 22 22 LYS C C 19 177.562 177.562 177.503 0.059 17835 2662 1 7 . 1 1 22 22 LYS CA C 19 59.316 59.316 58.459 0.857 17835 2663 1 7 . 1 1 22 22 LYS CB C 19 32.202 32.202 32.130 0.071 17835 2664 1 7 . 1 1 22 22 LYS H H 19 8.809 8.809 7.663 1.146 17835 2665 1 7 . 1 1 23 23 ASN N N 20 115.473 115.473 115.814 -0.341 17835 2666 1 7 . 1 1 23 23 ASN HA H 20 5.073 5.073 4.645 0.428 17835 2667 1 7 . 1 1 23 23 ASN C C 20 174.783 174.783 176.038 -1.255 17835 2668 1 7 . 1 1 23 23 ASN CA C 20 52.835 52.835 53.927 -1.092 17835 2669 1 7 . 1 1 23 23 ASN CB C 20 38.540 38.540 39.012 -0.472 17835 2670 1 7 . 1 1 23 23 ASN H H 20 8.784 8.784 8.103 0.681 17835 2671 1 7 . 1 1 24 24 GLY N N 21 107.402 107.402 107.231 0.171 17835 2672 1 7 . 1 1 24 24 GLY C C 21 172.572 172.572 172.939 -0.367 17835 2673 1 7 . 1 1 24 24 GLY CA C 21 44.739 44.739 44.295 0.444 17835 2674 1 7 . 1 1 24 24 GLY H H 21 7.743 7.743 7.874 -0.131 17835 2675 1 7 . 1 1 25 25 ILE N N 22 117.796 117.796 115.408 2.388 17835 2676 1 7 . 1 1 25 25 ILE HA H 22 4.272 4.272 4.595 -0.323 17835 2677 1 7 . 1 1 25 25 ILE C C 22 175.452 175.452 175.262 0.190 17835 2678 1 7 . 1 1 25 25 ILE CA C 22 59.468 59.468 59.694 -0.226 17835 2679 1 7 . 1 1 25 25 ILE CB C 22 41.833 41.833 40.886 0.947 17835 2680 1 7 . 1 1 25 25 ILE H H 22 8.509 8.509 8.044 0.465 17835 2681 1 7 . 1 1 26 26 VAL N N 23 124.597 124.597 122.077 2.520 17835 2682 1 7 . 1 1 26 26 VAL HA H 23 4.585 4.585 4.425 0.160 17835 2683 1 7 . 1 1 26 26 VAL C C 23 177.566 177.566 177.651 -0.085 17835 2684 1 7 . 1 1 26 26 VAL CA C 23 62.227 62.227 61.968 0.259 17835 2685 1 7 . 1 1 26 26 VAL CB C 23 31.945 31.945 32.291 -0.346 17835 2686 1 7 . 1 1 26 26 VAL H H 23 8.524 8.524 8.353 0.171 17835 2687 1 7 . 1 1 27 27 LEU N N 24 124.858 124.858 120.774 4.084 17835 2688 1 7 . 1 1 27 27 LEU HA H 24 4.011 4.011 4.291 -0.280 17835 2689 1 7 . 1 1 27 27 LEU C C 24 175.569 175.569 176.707 -1.138 17835 2690 1 7 . 1 1 27 27 LEU CA C 24 60.394 60.394 58.665 1.729 17835 2691 1 7 . 1 1 27 27 LEU CB C 24 39.402 39.402 39.151 0.251 17835 2692 1 7 . 1 1 27 27 LEU H H 24 8.816 8.816 8.684 0.132 17835 2693 1 7 . 1 1 28 28 PRO HA H 25 4.401 4.401 4.321 0.080 17835 2694 1 7 . 1 1 28 28 PRO C C 25 177.600 177.600 179.242 -1.642 17835 2695 1 7 . 1 1 28 28 PRO CA C 25 65.549 65.549 65.128 0.421 17835 2696 1 7 . 1 1 28 28 PRO CB C 25 31.458 31.458 31.206 0.253 17835 2697 1 7 . 1 1 29 29 ARG N N 26 115.136 115.136 119.218 -4.082 17835 2698 1 7 . 1 1 29 29 ARG HA H 26 4.511 4.511 4.122 0.389 17835 2699 1 7 . 1 1 29 29 ARG C C 26 177.152 177.152 178.184 -1.032 17835 2700 1 7 . 1 1 29 29 ARG CA C 26 55.853 55.853 59.175 -3.322 17835 2701 1 7 . 1 1 29 29 ARG CB C 26 30.981 30.981 29.933 1.048 17835 2702 1 7 . 1 1 29 29 ARG H H 26 7.869 7.869 7.808 0.061 17835 2703 1 7 . 1 1 30 30 LEU N N 27 122.984 122.984 121.538 1.446 17835 2704 1 7 . 1 1 30 30 LEU HA H 27 3.842 3.842 3.972 -0.130 17835 2705 1 7 . 1 1 30 30 LEU C C 27 177.872 177.872 178.479 -0.607 17835 2706 1 7 . 1 1 30 30 LEU CA C 27 59.458 59.458 58.652 0.806 17835 2707 1 7 . 1 1 30 30 LEU CB C 27 42.326 42.326 41.384 0.942 17835 2708 1 7 . 1 1 30 30 LEU H H 27 7.870 7.870 8.597 -0.727 17835 2709 1 7 . 1 1 31 31 GLN N N 28 117.382 117.382 118.006 -0.624 17835 2710 1 7 . 1 1 31 31 GLN HA H 28 4.689 4.689 4.023 0.666 17835 2711 1 7 . 1 1 31 31 GLN C C 28 178.888 178.888 179.055 -0.167 17835 2712 1 7 . 1 1 31 31 GLN CA C 28 60.243 60.243 59.321 0.922 17835 2713 1 7 . 1 1 31 31 GLN CB C 28 27.811 27.811 28.535 -0.724 17835 2714 1 7 . 1 1 31 31 GLN H H 28 9.217 9.217 7.859 1.358 17835 2715 1 7 . 1 1 32 32 GLY N N 29 105.066 105.066 108.032 -2.966 17835 2716 1 7 . 1 1 32 32 GLY C C 29 177.579 177.579 176.480 1.099 17835 2717 1 7 . 1 1 32 32 GLY CA C 29 47.254 47.254 47.313 -0.059 17835 2718 1 7 . 1 1 32 32 GLY H H 29 8.680 8.680 8.193 0.487 17835 2719 1 7 . 1 1 33 33 GLU N N 30 121.593 121.593 122.946 -1.353 17835 2720 1 7 . 1 1 33 33 GLU HA H 30 4.274 4.274 4.220 0.054 17835 2721 1 7 . 1 1 33 33 GLU C C 30 179.316 179.316 178.875 0.441 17835 2722 1 7 . 1 1 33 33 GLU CA C 30 59.068 59.068 58.467 0.601 17835 2723 1 7 . 1 1 33 33 GLU CB C 30 29.077 29.077 29.368 -0.291 17835 2724 1 7 . 1 1 33 33 GLU H H 30 8.063 8.063 8.322 -0.259 17835 2725 1 7 . 1 1 34 34 TYR N N 31 123.143 123.143 122.023 1.120 17835 2726 1 7 . 1 1 34 34 TYR HA H 31 4.083 4.083 4.057 0.026 17835 2727 1 7 . 1 1 34 34 TYR C C 31 178.379 178.379 177.149 1.230 17835 2728 1 7 . 1 1 34 34 TYR CA C 31 62.406 62.406 61.785 0.621 17835 2729 1 7 . 1 1 34 34 TYR CB C 31 39.405 39.405 38.437 0.968 17835 2730 1 7 . 1 1 34 34 TYR H H 31 9.063 9.063 8.767 0.296 17835 2731 1 7 . 1 1 35 35 ARG N N 32 123.458 123.458 119.651 3.807 17835 2732 1 7 . 1 1 35 35 ARG HA H 32 4.281 4.281 3.865 0.416 17835 2733 1 7 . 1 1 35 35 ARG C C 32 180.186 180.186 178.899 1.287 17835 2734 1 7 . 1 1 35 35 ARG CA C 32 58.908 58.908 59.367 -0.459 17835 2735 1 7 . 1 1 35 35 ARG CB C 32 29.708 29.708 29.831 -0.123 17835 2736 1 7 . 1 1 35 35 ARG H H 32 9.321 9.321 8.646 0.675 17835 2737 1 7 . 1 1 36 36 SER N N 33 116.071 116.071 115.639 0.432 17835 2738 1 7 . 1 1 36 36 SER HA H 33 4.048 4.048 4.085 -0.037 17835 2739 1 7 . 1 1 36 36 SER C C 33 175.063 175.063 175.805 -0.742 17835 2740 1 7 . 1 1 36 36 SER CA C 33 61.856 61.856 60.978 0.878 17835 2741 1 7 . 1 1 36 36 SER CB C 33 62.779 62.779 63.019 -0.240 17835 2742 1 7 . 1 1 36 36 SER H H 33 8.078 8.078 7.979 0.099 17835 2743 1 7 . 1 1 37 37 LEU N N 34 118.571 118.571 122.349 -3.778 17835 2744 1 7 . 1 1 37 37 LEU HA H 34 4.342 4.342 4.226 0.116 17835 2745 1 7 . 1 1 37 37 LEU C C 34 178.400 178.400 178.409 -0.009 17835 2746 1 7 . 1 1 37 37 LEU CA C 34 57.073 57.073 57.288 -0.214 17835 2747 1 7 . 1 1 37 37 LEU CB C 34 43.132 43.132 42.323 0.809 17835 2748 1 7 . 1 1 37 37 LEU H H 34 7.167 7.167 7.514 -0.347 17835 2749 1 7 . 1 1 38 38 THR N N 35 106.425 106.425 109.587 -3.162 17835 2750 1 7 . 1 1 38 38 THR HA H 35 4.163 4.163 4.099 0.064 17835 2751 1 7 . 1 1 38 38 THR C C 35 176.259 176.259 176.027 0.232 17835 2752 1 7 . 1 1 38 38 THR CA C 35 62.637 62.637 62.729 -0.092 17835 2753 1 7 . 1 1 38 38 THR CB C 35 71.659 71.659 69.730 1.929 17835 2754 1 7 . 1 1 38 38 THR H H 35 8.168 8.168 7.921 0.247 17835 2755 1 7 . 1 1 39 39 GLY N N 36 112.162 112.162 111.990 0.172 17835 2756 1 7 . 1 1 39 39 GLY C C 36 172.464 172.464 172.732 -0.268 17835 2757 1 7 . 1 1 39 39 GLY CA C 36 45.225 45.225 45.228 -0.003 17835 2758 1 7 . 1 1 39 39 GLY H H 36 8.759 8.759 8.162 0.597 17835 2759 1 7 . 1 1 40 40 ASP N N 37 121.106 121.106 118.230 2.876 17835 2760 1 7 . 1 1 40 40 ASP HA H 37 4.733 4.733 4.700 0.033 17835 2761 1 7 . 1 1 40 40 ASP C C 37 173.861 173.861 174.021 -0.160 17835 2762 1 7 . 1 1 40 40 ASP CA C 37 52.159 52.159 51.990 0.169 17835 2763 1 7 . 1 1 40 40 ASP CB C 37 44.573 44.573 43.425 1.147 17835 2764 1 7 . 1 1 40 40 ASP H H 37 8.414 8.414 7.486 0.928 17835 2765 1 7 . 1 1 41 41 TRP N N 38 115.206 115.206 120.236 -5.030 17835 2766 1 7 . 1 1 41 41 TRP HA H 38 5.107 5.107 4.862 0.245 17835 2767 1 7 . 1 1 41 41 TRP C C 38 177.125 177.125 177.238 -0.113 17835 2768 1 7 . 1 1 41 41 TRP CA C 38 54.889 54.889 55.887 -0.998 17835 2769 1 7 . 1 1 41 41 TRP CB C 38 31.592 31.592 30.757 0.835 17835 2770 1 7 . 1 1 41 41 TRP H H 38 8.016 8.016 8.143 -0.127 17835 2771 1 7 . 1 1 42 42 ILE N N 39 123.723 123.723 122.426 1.297 17835 2772 1 7 . 1 1 42 42 ILE HA H 39 3.512 3.512 3.509 0.003 17835 2773 1 7 . 1 1 42 42 ILE C C 39 177.199 177.199 175.523 1.676 17835 2774 1 7 . 1 1 42 42 ILE CA C 39 60.467 60.467 60.374 0.093 17835 2775 1 7 . 1 1 42 42 ILE CB C 39 38.133 38.133 37.100 1.033 17835 2776 1 7 . 1 1 42 42 ILE H H 39 10.079 10.079 8.574 1.505 17835 2777 1 7 . 1 1 43 43 PRO HA H 40 4.600 4.600 4.725 -0.125 17835 2778 1 7 . 1 1 43 43 PRO C C 40 174.997 174.997 176.811 -1.814 17835 2779 1 7 . 1 1 43 43 PRO CA C 40 62.511 62.511 62.340 0.171 17835 2780 1 7 . 1 1 43 43 PRO CB C 40 27.857 27.857 29.444 -1.587 17835 2781 1 7 . 1 1 44 44 PHE N N 41 118.808 118.808 120.170 -1.362 17835 2782 1 7 . 1 1 44 44 PHE HA H 41 3.737 3.737 4.242 -0.505 17835 2783 1 7 . 1 1 44 44 PHE C C 41 175.891 175.891 176.773 -0.882 17835 2784 1 7 . 1 1 44 44 PHE CA C 41 60.911 60.911 61.821 -0.910 17835 2785 1 7 . 1 1 44 44 PHE CB C 41 38.412 38.412 37.582 0.830 17835 2786 1 7 . 1 1 44 44 PHE H H 41 7.647 7.647 7.923 -0.276 17835 2787 1 7 . 1 1 45 45 LYS N N 42 123.543 123.543 119.819 3.724 17835 2788 1 7 . 1 1 45 45 LYS HA H 42 4.763 4.763 4.084 0.679 17835 2789 1 7 . 1 1 45 45 LYS C C 42 181.828 181.828 178.665 3.163 17835 2790 1 7 . 1 1 45 45 LYS CA C 42 58.959 58.959 58.517 0.442 17835 2791 1 7 . 1 1 45 45 LYS CB C 42 31.599 31.599 31.540 0.059 17835 2792 1 7 . 1 1 45 45 LYS H H 42 7.387 7.387 7.230 0.157 17835 2793 1 7 . 1 1 46 46 GLN N N 43 123.171 123.171 118.240 4.931 17835 2794 1 7 . 1 1 46 46 GLN HA H 43 3.896 3.896 4.007 -0.111 17835 2795 1 7 . 1 1 46 46 GLN C C 43 178.167 178.167 177.879 0.288 17835 2796 1 7 . 1 1 46 46 GLN CA C 43 59.066 59.066 58.416 0.650 17835 2797 1 7 . 1 1 46 46 GLN CB C 43 27.702 27.702 28.281 -0.579 17835 2798 1 7 . 1 1 46 46 GLN H H 43 8.567 8.567 7.895 0.672 17835 2799 1 7 . 1 1 47 47 LEU N N 44 116.472 116.472 118.191 -1.719 17835 2800 1 7 . 1 1 47 47 LEU HA H 44 4.255 4.255 4.261 -0.006 17835 2801 1 7 . 1 1 47 47 LEU C C 44 176.103 176.103 178.007 -1.904 17835 2802 1 7 . 1 1 47 47 LEU CA C 44 55.308 55.308 55.799 -0.491 17835 2803 1 7 . 1 1 47 47 LEU CB C 44 41.374 41.374 42.985 -1.611 17835 2804 1 7 . 1 1 47 47 LEU H H 44 7.544 7.544 8.217 -0.673 17835 2805 1 7 . 1 1 48 48 GLY N N 45 104.932 104.932 104.118 0.814 17835 2806 1 7 . 1 1 48 48 GLY C C 45 173.844 173.844 174.388 -0.544 17835 2807 1 7 . 1 1 48 48 GLY CA C 45 44.826 44.826 44.434 0.392 17835 2808 1 7 . 1 1 48 48 GLY H H 45 7.741 7.741 7.944 -0.203 17835 2809 1 7 . 1 1 49 49 TYR N N 46 119.946 119.946 121.041 -1.095 17835 2810 1 7 . 1 1 49 49 TYR HA H 46 4.839 4.839 4.849 -0.010 17835 2811 1 7 . 1 1 49 49 TYR C C 46 174.575 174.575 174.961 -0.386 17835 2812 1 7 . 1 1 49 49 TYR CA C 46 56.349 56.349 56.133 0.215 17835 2813 1 7 . 1 1 49 49 TYR CB C 46 41.464 41.464 38.440 3.024 17835 2814 1 7 . 1 1 49 49 TYR H H 46 8.332 8.332 7.994 0.338 17835 2815 1 7 . 1 1 50 50 PRO HA H 47 4.556 4.556 4.538 0.018 17835 2816 1 7 . 1 1 50 50 PRO C C 47 177.125 177.125 176.221 0.904 17835 2817 1 7 . 1 1 50 50 PRO CA C 47 64.115 64.115 64.944 -0.828 17835 2818 1 7 . 1 1 50 50 PRO CB C 47 32.152 32.152 31.919 0.233 17835 2819 1 7 . 1 1 51 51 THR N N 48 105.643 105.643 107.189 -1.546 17835 2820 1 7 . 1 1 51 51 THR HA H 48 4.129 4.129 4.305 -0.176 17835 2821 1 7 . 1 1 51 51 THR C C 48 173.270 173.270 174.677 -1.407 17835 2822 1 7 . 1 1 51 51 THR CA C 48 58.738 58.738 59.488 -0.750 17835 2823 1 7 . 1 1 51 51 THR CB C 48 73.254 73.254 71.544 1.710 17835 2824 1 7 . 1 1 51 51 THR H H 48 6.939 6.939 7.698 -0.759 17835 2825 1 7 . 1 1 52 52 LEU N N 49 121.743 121.743 122.240 -0.497 17835 2826 1 7 . 1 1 52 52 LEU HA H 49 3.325 3.325 3.799 -0.474 17835 2827 1 7 . 1 1 52 52 LEU C C 49 178.195 178.195 178.677 -0.482 17835 2828 1 7 . 1 1 52 52 LEU CA C 49 57.551 57.551 57.946 -0.395 17835 2829 1 7 . 1 1 52 52 LEU CB C 49 40.517 40.517 40.918 -0.401 17835 2830 1 7 . 1 1 52 52 LEU H H 49 7.849 7.849 8.248 -0.399 17835 2831 1 7 . 1 1 53 53 GLU N N 50 118.706 118.706 118.812 -0.106 17835 2832 1 7 . 1 1 53 53 GLU HA H 50 3.411 3.411 3.884 -0.473 17835 2833 1 7 . 1 1 53 53 GLU C C 50 176.853 176.853 178.497 -1.644 17835 2834 1 7 . 1 1 53 53 GLU CA C 50 60.720 60.720 59.382 1.338 17835 2835 1 7 . 1 1 53 53 GLU CB C 50 28.696 28.696 28.750 -0.054 17835 2836 1 7 . 1 1 53 53 GLU H H 50 8.981 8.981 8.732 0.249 17835 2837 1 7 . 1 1 54 54 ALA N N 51 119.673 119.673 122.688 -3.015 17835 2838 1 7 . 1 1 54 54 ALA HA H 51 3.885 3.885 4.024 -0.139 17835 2839 1 7 . 1 1 54 54 ALA C C 51 180.232 180.232 179.394 0.838 17835 2840 1 7 . 1 1 54 54 ALA CA C 51 55.127 55.127 55.034 0.093 17835 2841 1 7 . 1 1 54 54 ALA CB C 51 18.345 18.345 18.464 -0.119 17835 2842 1 7 . 1 1 54 54 ALA H H 51 8.001 8.001 7.738 0.263 17835 2843 1 7 . 1 1 55 55 TYR N N 52 117.474 117.474 120.229 -2.755 17835 2844 1 7 . 1 1 55 55 TYR HA H 52 2.898 2.898 3.300 -0.402 17835 2845 1 7 . 1 1 55 55 TYR C C 52 178.563 178.563 177.287 1.276 17835 2846 1 7 . 1 1 55 55 TYR CA C 52 59.876 59.876 61.202 -1.326 17835 2847 1 7 . 1 1 55 55 TYR CB C 52 37.365 37.365 38.229 -0.864 17835 2848 1 7 . 1 1 55 55 TYR H H 52 7.218 7.218 7.984 -0.766 17835 2849 1 7 . 1 1 56 56 LEU N N 53 121.106 121.106 117.711 3.395 17835 2850 1 7 . 1 1 56 56 LEU HA H 53 3.221 3.221 3.677 -0.456 17835 2851 1 7 . 1 1 56 56 LEU C C 53 179.706 179.706 179.231 0.475 17835 2852 1 7 . 1 1 56 56 LEU CA C 53 57.334 57.334 57.379 -0.045 17835 2853 1 7 . 1 1 56 56 LEU CB C 53 40.788 40.788 41.682 -0.894 17835 2854 1 7 . 1 1 56 56 LEU H H 53 8.440 8.440 7.876 0.564 17835 2855 1 7 . 1 1 57 57 ARG N N 54 116.303 116.303 120.118 -3.815 17835 2856 1 7 . 1 1 57 57 ARG HA H 54 3.722 3.722 3.996 -0.274 17835 2857 1 7 . 1 1 57 57 ARG C C 54 176.071 176.071 177.826 -1.755 17835 2858 1 7 . 1 1 57 57 ARG CA C 54 58.463 58.463 58.643 -0.180 17835 2859 1 7 . 1 1 57 57 ARG CB C 54 29.735 29.735 29.890 -0.155 17835 2860 1 7 . 1 1 57 57 ARG H H 54 7.998 7.998 8.615 -0.617 17835 2861 1 7 . 1 1 58 58 SER N N 55 115.365 115.365 112.934 2.431 17835 2862 1 7 . 1 1 58 58 SER HA H 55 4.357 4.357 4.370 -0.013 17835 2863 1 7 . 1 1 58 58 SER C C 55 173.970 173.970 173.936 0.034 17835 2864 1 7 . 1 1 58 58 SER CA C 55 59.762 59.762 60.028 -0.266 17835 2865 1 7 . 1 1 58 58 SER CB C 55 63.886 63.886 63.327 0.559 17835 2866 1 7 . 1 1 58 58 SER H H 55 7.491 7.491 7.595 -0.104 17835 2867 1 7 . 1 1 59 59 VAL N N 56 113.059 113.059 120.500 -7.441 17835 2868 1 7 . 1 1 59 59 VAL HA H 56 5.090 5.090 4.561 0.529 17835 2869 1 7 . 1 1 59 59 VAL C C 56 174.276 174.276 173.938 0.338 17835 2870 1 7 . 1 1 59 59 VAL CA C 56 58.444 58.444 58.706 -0.262 17835 2871 1 7 . 1 1 59 59 VAL CB C 56 31.559 31.559 32.705 -1.146 17835 2872 1 7 . 1 1 59 59 VAL H H 56 6.729 6.729 7.008 -0.279 17835 2873 1 7 . 1 1 60 60 PRO HA H 57 4.902 4.902 4.761 0.141 17835 2874 1 7 . 1 1 60 60 PRO C C 57 177.563 177.563 177.329 0.234 17835 2875 1 7 . 1 1 60 60 PRO CA C 57 64.541 64.541 64.519 0.022 17835 2876 1 7 . 1 1 60 60 PRO CB C 57 31.768 31.768 31.657 0.111 17835 2877 1 7 . 1 1 61 61 ALA N N 58 120.004 120.004 120.103 -0.099 17835 2878 1 7 . 1 1 61 61 ALA HA H 58 4.327 4.327 4.279 0.048 17835 2879 1 7 . 1 1 61 61 ALA C C 58 177.191 177.191 177.869 -0.678 17835 2880 1 7 . 1 1 61 61 ALA CA C 58 52.795 52.795 53.581 -0.786 17835 2881 1 7 . 1 1 61 61 ALA CB C 58 18.427 18.427 19.345 -0.918 17835 2882 1 7 . 1 1 61 61 ALA H H 58 8.397 8.397 8.062 0.335 17835 2883 1 7 . 1 1 62 62 VAL N N 59 116.635 116.635 113.139 3.496 17835 2884 1 7 . 1 1 62 62 VAL HA H 59 4.032 4.032 4.436 -0.404 17835 2885 1 7 . 1 1 62 62 VAL C C 59 174.238 174.238 175.025 -0.787 17835 2886 1 7 . 1 1 62 62 VAL CA C 59 63.741 63.741 63.049 0.692 17835 2887 1 7 . 1 1 62 62 VAL CB C 59 34.115 34.115 34.851 -0.736 17835 2888 1 7 . 1 1 62 62 VAL H H 59 8.080 8.080 7.668 0.412 17835 2889 1 7 . 1 1 63 63 VAL N N 60 117.153 117.153 119.206 -2.053 17835 2890 1 7 . 1 1 63 63 VAL HA H 60 4.911 4.911 4.706 0.205 17835 2891 1 7 . 1 1 63 63 VAL C C 60 172.258 172.258 173.795 -1.537 17835 2892 1 7 . 1 1 63 63 VAL CA C 60 59.006 59.006 60.456 -1.450 17835 2893 1 7 . 1 1 63 63 VAL CB C 60 35.461 35.461 36.186 -0.725 17835 2894 1 7 . 1 1 63 63 VAL H H 60 7.791 7.791 8.183 -0.392 17835 2895 1 7 . 1 1 64 64 ARG N N 61 129.658 129.658 122.038 7.620 17835 2896 1 7 . 1 1 64 64 ARG HA H 61 4.727 4.727 4.954 -0.227 17835 2897 1 7 . 1 1 64 64 ARG C C 61 174.437 174.437 173.705 0.732 17835 2898 1 7 . 1 1 64 64 ARG CA C 61 54.117 54.117 55.042 -0.925 17835 2899 1 7 . 1 1 64 64 ARG CB C 61 32.754 32.754 34.728 -1.974 17835 2900 1 7 . 1 1 64 64 ARG H H 61 9.208 9.208 8.972 0.236 17835 2901 1 7 . 1 1 65 65 ILE N N 62 125.775 125.775 118.023 7.752 17835 2902 1 7 . 1 1 65 65 ILE HA H 62 4.917 4.917 5.377 -0.460 17835 2903 1 7 . 1 1 65 65 ILE C C 62 175.842 175.842 174.686 1.156 17835 2904 1 7 . 1 1 65 65 ILE CA C 62 59.545 59.545 59.728 -0.183 17835 2905 1 7 . 1 1 65 65 ILE CB C 62 39.645 39.645 42.355 -2.709 17835 2906 1 7 . 1 1 65 65 ILE H H 62 8.736 8.736 8.314 0.422 17835 2907 1 7 . 1 1 66 66 GLU N N 63 127.114 127.114 122.968 4.146 17835 2908 1 7 . 1 1 66 66 GLU HA H 63 4.677 4.677 4.742 -0.065 17835 2909 1 7 . 1 1 66 66 GLU C C 63 174.409 174.409 175.299 -0.890 17835 2910 1 7 . 1 1 66 66 GLU CA C 63 54.791 54.791 54.821 -0.030 17835 2911 1 7 . 1 1 66 66 GLU CB C 63 33.078 33.078 31.716 1.362 17835 2912 1 7 . 1 1 66 66 GLU H H 63 9.197 9.197 9.121 0.076 17835 2913 1 7 . 1 1 67 67 ALA N N 64 127.913 127.913 129.763 -1.850 17835 2914 1 7 . 1 1 67 67 ALA HA H 64 5.026 5.026 4.643 0.383 17835 2915 1 7 . 1 1 67 67 ALA C C 64 177.717 177.717 177.152 0.565 17835 2916 1 7 . 1 1 67 67 ALA CA C 64 51.070 51.070 51.780 -0.710 17835 2917 1 7 . 1 1 67 67 ALA CB C 64 19.550 19.550 19.132 0.418 17835 2918 1 7 . 1 1 67 67 ALA H H 64 8.779 8.779 8.605 0.174 17835 2919 1 7 . 1 1 68 68 SER N N 65 119.364 119.364 119.433 -0.069 17835 2920 1 7 . 1 1 68 68 SER HA H 65 4.665 4.665 4.555 0.110 17835 2921 1 7 . 1 1 68 68 SER C C 65 176.518 176.518 176.662 -0.144 17835 2922 1 7 . 1 1 68 68 SER CA C 65 57.096 57.096 56.890 0.206 17835 2923 1 7 . 1 1 68 68 SER CB C 65 65.234 65.234 64.147 1.087 17835 2924 1 7 . 1 1 68 68 SER H H 65 8.951 8.951 8.717 0.234 17835 2925 1 7 . 1 1 69 69 ARG N N 66 123.143 123.143 125.973 -2.830 17835 2926 1 7 . 1 1 69 69 ARG HA H 66 4.153 4.153 4.180 -0.027 17835 2927 1 7 . 1 1 69 69 ARG C C 66 177.356 177.356 176.469 0.887 17835 2928 1 7 . 1 1 69 69 ARG CA C 66 58.973 58.973 58.220 0.753 17835 2929 1 7 . 1 1 69 69 ARG CB C 66 29.659 29.659 28.882 0.777 17835 2930 1 7 . 1 1 69 69 ARG H H 66 9.075 9.075 8.941 0.134 17835 2931 1 7 . 1 1 70 70 SER N N 67 112.081 112.081 115.411 -3.330 17835 2932 1 7 . 1 1 70 70 SER HA H 67 4.416 4.416 4.372 0.044 17835 2933 1 7 . 1 1 70 70 SER C C 67 175.146 175.146 175.270 -0.124 17835 2934 1 7 . 1 1 70 70 SER CA C 67 58.413 58.413 58.314 0.099 17835 2935 1 7 . 1 1 70 70 SER CB C 67 63.477 63.477 63.549 -0.072 17835 2936 1 7 . 1 1 70 70 SER H H 67 8.083 8.083 7.732 0.351 17835 2937 1 7 . 1 1 71 71 GLY N N 68 110.519 110.519 109.457 1.062 17835 2938 1 7 . 1 1 71 71 GLY C C 68 174.116 174.116 173.517 0.599 17835 2939 1 7 . 1 1 71 71 GLY CA C 68 45.114 45.114 45.259 -0.145 17835 2940 1 7 . 1 1 71 71 GLY H H 68 7.974 7.974 7.832 0.142 17835 2941 1 7 . 1 1 72 72 GLU N N 69 120.663 120.663 118.996 1.667 17835 2942 1 7 . 1 1 72 72 GLU HA H 69 4.289 4.289 4.659 -0.369 17835 2943 1 7 . 1 1 72 72 GLU C C 69 175.352 175.352 174.140 1.212 17835 2944 1 7 . 1 1 72 72 GLU CA C 69 56.082 56.082 54.725 1.357 17835 2945 1 7 . 1 1 72 72 GLU CB C 69 30.517 30.517 33.043 -2.526 17835 2946 1 7 . 1 1 72 72 GLU H H 69 7.630 7.630 7.390 0.240 17835 2947 1 7 . 1 1 73 73 ILE N N 70 125.775 125.775 121.841 3.934 17835 2948 1 7 . 1 1 73 73 ILE HA H 70 4.367 4.367 4.916 -0.549 17835 2949 1 7 . 1 1 73 73 ILE C C 70 174.613 174.613 173.585 1.028 17835 2950 1 7 . 1 1 73 73 ILE CA C 70 60.876 60.876 59.370 1.506 17835 2951 1 7 . 1 1 73 73 ILE CB C 70 37.465 37.465 41.309 -3.844 17835 2952 1 7 . 1 1 73 73 ILE H H 70 8.753 8.753 8.405 0.348 17835 2953 1 7 . 1 1 74 74 VAL N N 71 128.300 128.300 127.433 0.867 17835 2954 1 7 . 1 1 74 74 VAL HA H 71 4.153 4.153 4.439 -0.286 17835 2955 1 7 . 1 1 74 74 VAL C C 71 173.544 173.544 174.786 -1.242 17835 2956 1 7 . 1 1 74 74 VAL CA C 71 61.736 61.736 59.966 1.770 17835 2957 1 7 . 1 1 74 74 VAL CB C 71 33.763 33.763 32.987 0.776 17835 2958 1 7 . 1 1 74 74 VAL H H 71 8.724 8.724 8.749 -0.025 17835 2959 1 7 . 1 1 75 75 CYS N N 72 122.823 122.823 125.154 -2.331 17835 2960 1 7 . 1 1 75 75 CYS HA H 72 4.948 4.948 5.014 -0.066 17835 2961 1 7 . 1 1 75 75 CYS C C 72 173.200 173.200 173.797 -0.597 17835 2962 1 7 . 1 1 75 75 CYS CA C 72 57.176 57.176 57.725 -0.549 17835 2963 1 7 . 1 1 75 75 CYS CB C 72 29.712 29.712 29.954 -0.242 17835 2964 1 7 . 1 1 75 75 CYS H H 72 8.200 8.200 8.742 -0.542 17835 2965 1 7 . 1 1 76 76 TYR N N 73 119.584 119.584 119.320 0.264 17835 2966 1 7 . 1 1 76 76 TYR HA H 73 5.013 5.013 4.778 0.235 17835 2967 1 7 . 1 1 76 76 TYR C C 73 175.779 175.779 174.960 0.819 17835 2968 1 7 . 1 1 76 76 TYR CA C 73 56.289 56.289 57.109 -0.820 17835 2969 1 7 . 1 1 76 76 TYR CB C 73 42.505 42.505 43.191 -0.686 17835 2970 1 7 . 1 1 76 76 TYR H H 73 9.265 9.265 9.301 -0.036 17835 2971 1 7 . 1 1 77 77 ALA N N 74 122.844 122.844 122.141 0.703 17835 2972 1 7 . 1 1 77 77 ALA HA H 74 4.423 4.423 4.644 -0.221 17835 2973 1 7 . 1 1 77 77 ALA C C 74 177.907 177.907 175.685 2.222 17835 2974 1 7 . 1 1 77 77 ALA CA C 74 52.151 52.151 51.375 0.776 17835 2975 1 7 . 1 1 77 77 ALA CB C 74 18.915 18.915 20.922 -2.007 17835 2976 1 7 . 1 1 77 77 ALA H H 74 9.145 9.145 8.971 0.174 17835 2977 1 7 . 1 1 78 78 VAL N N 75 123.434 123.434 117.097 6.337 17835 2978 1 7 . 1 1 78 78 VAL HA H 75 3.826 3.826 4.309 -0.483 17835 2979 1 7 . 1 1 78 78 VAL C C 75 174.995 174.995 174.810 0.185 17835 2980 1 7 . 1 1 78 78 VAL CA C 75 63.379 63.379 62.390 0.989 17835 2981 1 7 . 1 1 78 78 VAL CB C 75 32.715 32.715 34.692 -1.977 17835 2982 1 7 . 1 1 78 78 VAL H H 75 7.894 7.894 8.496 -0.602 17835 2983 1 8 . 1 1 5 5 LEU N N 2 124.907 124.907 122.134 2.773 17835 2984 1 8 . 1 1 5 5 LEU HA H 2 4.299 4.299 4.470 -0.171 17835 2985 1 8 . 1 1 5 5 LEU C C 2 177.892 177.892 178.282 -0.390 17835 2986 1 8 . 1 1 5 5 LEU CA C 2 55.749 55.749 54.364 1.385 17835 2987 1 8 . 1 1 5 5 LEU CB C 2 42.001 42.001 42.471 -0.470 17835 2988 1 8 . 1 1 5 5 LEU H H 2 8.636 8.636 8.390 0.246 17835 2989 1 8 . 1 1 6 6 GLU N N 3 122.649 122.649 122.082 0.567 17835 2990 1 8 . 1 1 6 6 GLU HA H 3 4.172 4.172 3.986 0.186 17835 2991 1 8 . 1 1 6 6 GLU C C 3 177.481 177.481 178.558 -1.077 17835 2992 1 8 . 1 1 6 6 GLU CA C 3 58.106 58.106 60.112 -2.006 17835 2993 1 8 . 1 1 6 6 GLU CB C 3 28.874 28.874 29.741 -0.868 17835 2994 1 8 . 1 1 6 6 GLU H H 3 8.594 8.594 8.988 -0.394 17835 2995 1 8 . 1 1 7 7 ALA N N 4 121.929 121.929 121.288 0.641 17835 2996 1 8 . 1 1 7 7 ALA HA H 4 3.944 3.944 4.202 -0.258 17835 2997 1 8 . 1 1 7 7 ALA C C 4 180.419 180.419 179.358 1.061 17835 2998 1 8 . 1 1 7 7 ALA CA C 4 55.686 55.686 55.078 0.608 17835 2999 1 8 . 1 1 7 7 ALA CB C 4 18.587 18.587 18.020 0.567 17835 3000 1 8 . 1 1 7 7 ALA H H 4 8.744 8.744 8.421 0.323 17835 3001 1 8 . 1 1 8 8 ASP N N 5 117.514 117.514 119.565 -2.051 17835 3002 1 8 . 1 1 8 8 ASP HA H 5 4.482 4.482 4.539 -0.057 17835 3003 1 8 . 1 1 8 8 ASP C C 5 178.010 178.010 178.220 -0.210 17835 3004 1 8 . 1 1 8 8 ASP CA C 5 56.603 56.603 56.776 -0.173 17835 3005 1 8 . 1 1 8 8 ASP CB C 5 40.353 40.353 40.743 -0.390 17835 3006 1 8 . 1 1 8 8 ASP H H 5 8.071 8.071 8.291 -0.220 17835 3007 1 8 . 1 1 9 9 LEU N N 6 122.640 122.640 121.568 1.072 17835 3008 1 8 . 1 1 9 9 LEU HA H 6 4.165 4.165 4.074 0.091 17835 3009 1 8 . 1 1 9 9 LEU C C 6 178.699 178.699 178.514 0.185 17835 3010 1 8 . 1 1 9 9 LEU CA C 6 57.986 57.986 58.443 -0.457 17835 3011 1 8 . 1 1 9 9 LEU CB C 6 41.675 41.675 42.176 -0.501 17835 3012 1 8 . 1 1 9 9 LEU H H 6 7.713 7.713 8.333 -0.620 17835 3013 1 8 . 1 1 10 10 VAL N N 7 119.303 119.303 115.841 3.462 17835 3014 1 8 . 1 1 10 10 VAL HA H 7 4.025 4.025 3.839 0.186 17835 3015 1 8 . 1 1 10 10 VAL C C 7 178.570 178.570 177.884 0.686 17835 3016 1 8 . 1 1 10 10 VAL CA C 7 65.683 65.683 66.823 -1.140 17835 3017 1 8 . 1 1 10 10 VAL CB C 7 31.841 31.841 31.396 0.445 17835 3018 1 8 . 1 1 10 10 VAL H H 7 8.115 8.115 8.257 -0.142 17835 3019 1 8 . 1 1 11 11 SER N N 8 113.146 113.146 118.451 -5.305 17835 3020 1 8 . 1 1 11 11 SER HA H 8 4.042 4.042 4.238 -0.196 17835 3021 1 8 . 1 1 11 11 SER C C 8 176.364 176.364 176.756 -0.392 17835 3022 1 8 . 1 1 11 11 SER CA C 8 62.600 62.600 63.031 -0.431 17835 3023 1 8 . 1 1 11 11 SER CB C 8 61.596 61.596 63.050 -1.454 17835 3024 1 8 . 1 1 11 11 SER H H 8 7.796 7.796 8.043 -0.247 17835 3025 1 8 . 1 1 12 12 LYS N N 9 121.690 121.690 121.817 -0.127 17835 3026 1 8 . 1 1 12 12 LYS HA H 9 4.044 4.044 4.005 0.039 17835 3027 1 8 . 1 1 12 12 LYS C C 9 180.048 180.048 178.840 1.208 17835 3028 1 8 . 1 1 12 12 LYS CA C 9 60.002 60.002 59.682 0.320 17835 3029 1 8 . 1 1 12 12 LYS CB C 9 32.839 32.839 32.408 0.431 17835 3030 1 8 . 1 1 12 12 LYS H H 9 7.754 7.754 8.328 -0.574 17835 3031 1 8 . 1 1 13 13 MET N N 10 119.794 119.794 118.927 0.867 17835 3032 1 8 . 1 1 13 13 MET HA H 10 4.420 4.420 4.136 0.284 17835 3033 1 8 . 1 1 13 13 MET C C 10 178.151 178.151 178.306 -0.155 17835 3034 1 8 . 1 1 13 13 MET CA C 10 57.095 57.095 59.141 -2.046 17835 3035 1 8 . 1 1 13 13 MET CB C 10 31.599 31.599 32.669 -1.070 17835 3036 1 8 . 1 1 13 13 MET H H 10 8.451 8.451 8.403 0.048 17835 3037 1 8 . 1 1 14 14 LEU N N 11 122.035 122.035 122.144 -0.109 17835 3038 1 8 . 1 1 14 14 LEU HA H 11 4.207 4.207 4.131 0.076 17835 3039 1 8 . 1 1 14 14 LEU C C 11 178.526 178.526 177.981 0.545 17835 3040 1 8 . 1 1 14 14 LEU CA C 11 58.178 58.178 59.119 -0.941 17835 3041 1 8 . 1 1 14 14 LEU CB C 11 42.148 42.148 41.770 0.378 17835 3042 1 8 . 1 1 14 14 LEU H H 11 9.301 9.301 8.691 0.610 17835 3043 1 8 . 1 1 15 15 ARG N N 12 118.150 118.150 119.372 -1.222 17835 3044 1 8 . 1 1 15 15 ARG HA H 12 3.839 3.839 3.870 -0.031 17835 3045 1 8 . 1 1 15 15 ARG C C 12 177.951 177.951 178.373 -0.422 17835 3046 1 8 . 1 1 15 15 ARG CA C 12 60.500 60.500 59.311 1.189 17835 3047 1 8 . 1 1 15 15 ARG CB C 12 29.966 29.966 29.796 0.171 17835 3048 1 8 . 1 1 15 15 ARG H H 12 8.248 8.248 8.471 -0.223 17835 3049 1 8 . 1 1 16 16 ALA N N 13 120.291 120.291 121.342 -1.051 17835 3050 1 8 . 1 1 16 16 ALA HA H 13 4.150 4.150 4.115 0.035 17835 3051 1 8 . 1 1 16 16 ALA C C 13 181.072 181.072 180.002 1.070 17835 3052 1 8 . 1 1 16 16 ALA CA C 13 55.371 55.371 54.964 0.407 17835 3053 1 8 . 1 1 16 16 ALA CB C 13 17.845 17.845 18.136 -0.291 17835 3054 1 8 . 1 1 16 16 ALA H H 13 7.587 7.587 8.168 -0.581 17835 3055 1 8 . 1 1 17 17 VAL N N 14 119.183 119.183 119.703 -0.520 17835 3056 1 8 . 1 1 17 17 VAL HA H 14 3.858 3.858 3.362 0.496 17835 3057 1 8 . 1 1 17 17 VAL C C 14 178.531 178.531 177.873 0.658 17835 3058 1 8 . 1 1 17 17 VAL CA C 14 65.552 65.552 67.429 -1.877 17835 3059 1 8 . 1 1 17 17 VAL CB C 14 32.190 32.190 31.516 0.674 17835 3060 1 8 . 1 1 17 17 VAL H H 14 8.324 8.324 8.100 0.224 17835 3061 1 8 . 1 1 18 18 LEU N N 15 120.498 120.498 119.077 1.421 17835 3062 1 8 . 1 1 18 18 LEU HA H 15 3.985 3.985 3.928 0.057 17835 3063 1 8 . 1 1 18 18 LEU C C 15 179.935 179.935 179.155 0.780 17835 3064 1 8 . 1 1 18 18 LEU CA C 15 58.474 58.474 57.748 0.726 17835 3065 1 8 . 1 1 18 18 LEU CB C 15 41.885 41.885 41.373 0.512 17835 3066 1 8 . 1 1 18 18 LEU H H 15 8.388 8.388 8.052 0.336 17835 3067 1 8 . 1 1 19 19 GLN N N 16 117.835 117.835 117.100 0.735 17835 3068 1 8 . 1 1 19 19 GLN HA H 16 3.981 3.981 4.101 -0.120 17835 3069 1 8 . 1 1 19 19 GLN C C 16 177.304 177.304 178.688 -1.384 17835 3070 1 8 . 1 1 19 19 GLN CA C 16 58.668 58.668 58.084 0.584 17835 3071 1 8 . 1 1 19 19 GLN CB C 16 28.274 28.274 28.474 -0.200 17835 3072 1 8 . 1 1 19 19 GLN H H 16 8.689 8.689 8.479 0.210 17835 3073 1 8 . 1 1 20 20 SER N N 17 111.043 111.043 115.113 -4.070 17835 3074 1 8 . 1 1 20 20 SER HA H 17 4.386 4.386 4.371 0.015 17835 3075 1 8 . 1 1 20 20 SER C C 17 173.630 173.630 175.955 -2.325 17835 3076 1 8 . 1 1 20 20 SER CA C 17 59.252 59.252 61.092 -1.840 17835 3077 1 8 . 1 1 20 20 SER CB C 17 63.600 63.600 63.660 -0.060 17835 3078 1 8 . 1 1 20 20 SER H H 17 7.461 7.461 7.982 -0.521 17835 3079 1 8 . 1 1 21 21 HIS N N 18 121.324 121.324 119.852 1.472 17835 3080 1 8 . 1 1 21 21 HIS HA H 18 4.824 4.824 4.847 -0.023 17835 3081 1 8 . 1 1 21 21 HIS C C 18 174.835 174.835 175.154 -0.319 17835 3082 1 8 . 1 1 21 21 HIS CA C 18 54.386 54.386 52.686 1.700 17835 3083 1 8 . 1 1 21 21 HIS CB C 18 28.657 28.657 27.743 0.914 17835 3084 1 8 . 1 1 21 21 HIS H H 18 7.692 7.692 8.093 -0.401 17835 3085 1 8 . 1 1 22 22 LYS N N 19 123.925 123.925 121.021 2.904 17835 3086 1 8 . 1 1 22 22 LYS HA H 19 4.161 4.161 4.131 0.030 17835 3087 1 8 . 1 1 22 22 LYS C C 19 177.562 177.562 177.563 -0.001 17835 3088 1 8 . 1 1 22 22 LYS CA C 19 59.316 59.316 58.495 0.821 17835 3089 1 8 . 1 1 22 22 LYS CB C 19 32.202 32.202 31.927 0.275 17835 3090 1 8 . 1 1 22 22 LYS H H 19 8.809 8.809 7.723 1.086 17835 3091 1 8 . 1 1 23 23 ASN N N 20 115.473 115.473 116.882 -1.409 17835 3092 1 8 . 1 1 23 23 ASN HA H 20 5.073 5.073 4.680 0.393 17835 3093 1 8 . 1 1 23 23 ASN C C 20 174.783 174.783 175.662 -0.879 17835 3094 1 8 . 1 1 23 23 ASN CA C 20 52.835 52.835 53.690 -0.855 17835 3095 1 8 . 1 1 23 23 ASN CB C 20 38.540 38.540 39.004 -0.464 17835 3096 1 8 . 1 1 23 23 ASN H H 20 8.784 8.784 8.262 0.522 17835 3097 1 8 . 1 1 24 24 GLY N N 21 107.402 107.402 107.506 -0.104 17835 3098 1 8 . 1 1 24 24 GLY C C 21 172.572 172.572 172.997 -0.425 17835 3099 1 8 . 1 1 24 24 GLY CA C 21 44.739 44.739 44.426 0.313 17835 3100 1 8 . 1 1 24 24 GLY H H 21 7.743 7.743 7.909 -0.166 17835 3101 1 8 . 1 1 25 25 ILE N N 22 117.796 117.796 115.890 1.906 17835 3102 1 8 . 1 1 25 25 ILE HA H 22 4.272 4.272 4.658 -0.386 17835 3103 1 8 . 1 1 25 25 ILE C C 22 175.452 175.452 175.197 0.255 17835 3104 1 8 . 1 1 25 25 ILE CA C 22 59.468 59.468 59.198 0.270 17835 3105 1 8 . 1 1 25 25 ILE CB C 22 41.833 41.833 40.700 1.133 17835 3106 1 8 . 1 1 25 25 ILE H H 22 8.509 8.509 7.945 0.564 17835 3107 1 8 . 1 1 26 26 VAL N N 23 124.597 124.597 122.334 2.263 17835 3108 1 8 . 1 1 26 26 VAL HA H 23 4.585 4.585 4.577 0.008 17835 3109 1 8 . 1 1 26 26 VAL C C 23 177.566 177.566 177.619 -0.053 17835 3110 1 8 . 1 1 26 26 VAL CA C 23 62.227 62.227 62.042 0.185 17835 3111 1 8 . 1 1 26 26 VAL CB C 23 31.945 31.945 31.965 -0.020 17835 3112 1 8 . 1 1 26 26 VAL H H 23 8.524 8.524 8.435 0.089 17835 3113 1 8 . 1 1 27 27 LEU N N 24 124.858 124.858 121.994 2.864 17835 3114 1 8 . 1 1 27 27 LEU HA H 24 4.011 4.011 4.387 -0.376 17835 3115 1 8 . 1 1 27 27 LEU C C 24 175.569 175.569 176.555 -0.986 17835 3116 1 8 . 1 1 27 27 LEU CA C 24 60.394 60.394 59.009 1.385 17835 3117 1 8 . 1 1 27 27 LEU CB C 24 39.402 39.402 38.836 0.566 17835 3118 1 8 . 1 1 27 27 LEU H H 24 8.816 8.816 8.335 0.481 17835 3119 1 8 . 1 1 28 28 PRO HA H 25 4.401 4.401 4.268 0.133 17835 3120 1 8 . 1 1 28 28 PRO C C 25 177.600 177.600 179.192 -1.592 17835 3121 1 8 . 1 1 28 28 PRO CA C 25 65.549 65.549 65.764 -0.215 17835 3122 1 8 . 1 1 28 28 PRO CB C 25 31.458 31.458 30.867 0.591 17835 3123 1 8 . 1 1 29 29 ARG N N 26 115.136 115.136 119.255 -4.119 17835 3124 1 8 . 1 1 29 29 ARG HA H 26 4.511 4.511 4.113 0.398 17835 3125 1 8 . 1 1 29 29 ARG C C 26 177.152 177.152 178.187 -1.035 17835 3126 1 8 . 1 1 29 29 ARG CA C 26 55.853 55.853 59.207 -3.354 17835 3127 1 8 . 1 1 29 29 ARG CB C 26 30.981 30.981 29.956 1.024 17835 3128 1 8 . 1 1 29 29 ARG H H 26 7.869 7.869 7.757 0.112 17835 3129 1 8 . 1 1 30 30 LEU N N 27 122.984 122.984 121.886 1.098 17835 3130 1 8 . 1 1 30 30 LEU HA H 27 3.842 3.842 3.968 -0.126 17835 3131 1 8 . 1 1 30 30 LEU C C 27 177.872 177.872 178.455 -0.583 17835 3132 1 8 . 1 1 30 30 LEU CA C 27 59.458 59.458 58.585 0.873 17835 3133 1 8 . 1 1 30 30 LEU CB C 27 42.326 42.326 41.279 1.047 17835 3134 1 8 . 1 1 30 30 LEU H H 27 7.870 7.870 8.646 -0.776 17835 3135 1 8 . 1 1 31 31 GLN N N 28 117.382 117.382 117.687 -0.305 17835 3136 1 8 . 1 1 31 31 GLN HA H 28 4.689 4.689 4.019 0.670 17835 3137 1 8 . 1 1 31 31 GLN C C 28 178.888 178.888 179.092 -0.204 17835 3138 1 8 . 1 1 31 31 GLN CA C 28 60.243 60.243 59.693 0.550 17835 3139 1 8 . 1 1 31 31 GLN CB C 28 27.811 27.811 28.383 -0.572 17835 3140 1 8 . 1 1 31 31 GLN H H 28 9.217 9.217 7.943 1.274 17835 3141 1 8 . 1 1 32 32 GLY N N 29 105.066 105.066 107.663 -2.597 17835 3142 1 8 . 1 1 32 32 GLY C C 29 177.579 177.579 176.566 1.013 17835 3143 1 8 . 1 1 32 32 GLY CA C 29 47.254 47.254 47.275 -0.021 17835 3144 1 8 . 1 1 32 32 GLY H H 29 8.680 8.680 8.244 0.436 17835 3145 1 8 . 1 1 33 33 GLU N N 30 121.593 121.593 123.082 -1.489 17835 3146 1 8 . 1 1 33 33 GLU HA H 30 4.274 4.274 4.212 0.062 17835 3147 1 8 . 1 1 33 33 GLU C C 30 179.316 179.316 178.892 0.424 17835 3148 1 8 . 1 1 33 33 GLU CA C 30 59.068 59.068 58.492 0.576 17835 3149 1 8 . 1 1 33 33 GLU CB C 30 29.077 29.077 29.380 -0.303 17835 3150 1 8 . 1 1 33 33 GLU H H 30 8.063 8.063 8.267 -0.204 17835 3151 1 8 . 1 1 34 34 TYR N N 31 123.143 123.143 121.974 1.169 17835 3152 1 8 . 1 1 34 34 TYR HA H 31 4.083 4.083 4.052 0.031 17835 3153 1 8 . 1 1 34 34 TYR C C 31 178.379 178.379 177.207 1.172 17835 3154 1 8 . 1 1 34 34 TYR CA C 31 62.406 62.406 61.764 0.642 17835 3155 1 8 . 1 1 34 34 TYR CB C 31 39.405 39.405 38.414 0.991 17835 3156 1 8 . 1 1 34 34 TYR H H 31 9.063 9.063 8.851 0.212 17835 3157 1 8 . 1 1 35 35 ARG N N 32 123.458 123.458 119.732 3.726 17835 3158 1 8 . 1 1 35 35 ARG HA H 32 4.281 4.281 3.911 0.370 17835 3159 1 8 . 1 1 35 35 ARG C C 32 180.186 180.186 178.943 1.243 17835 3160 1 8 . 1 1 35 35 ARG CA C 32 58.908 58.908 59.126 -0.218 17835 3161 1 8 . 1 1 35 35 ARG CB C 32 29.708 29.708 29.957 -0.249 17835 3162 1 8 . 1 1 35 35 ARG H H 32 9.321 9.321 8.552 0.769 17835 3163 1 8 . 1 1 36 36 SER N N 33 116.071 116.071 115.766 0.305 17835 3164 1 8 . 1 1 36 36 SER HA H 33 4.048 4.048 4.072 -0.024 17835 3165 1 8 . 1 1 36 36 SER C C 33 175.063 175.063 175.726 -0.663 17835 3166 1 8 . 1 1 36 36 SER CA C 33 61.856 61.856 61.041 0.815 17835 3167 1 8 . 1 1 36 36 SER CB C 33 62.779 62.779 63.011 -0.232 17835 3168 1 8 . 1 1 36 36 SER H H 33 8.078 8.078 7.978 0.100 17835 3169 1 8 . 1 1 37 37 LEU N N 34 118.571 118.571 122.190 -3.619 17835 3170 1 8 . 1 1 37 37 LEU HA H 34 4.342 4.342 4.196 0.146 17835 3171 1 8 . 1 1 37 37 LEU C C 34 178.400 178.400 178.265 0.135 17835 3172 1 8 . 1 1 37 37 LEU CA C 34 57.073 57.073 57.067 0.006 17835 3173 1 8 . 1 1 37 37 LEU CB C 34 43.132 43.132 42.458 0.674 17835 3174 1 8 . 1 1 37 37 LEU H H 34 7.167 7.167 7.499 -0.332 17835 3175 1 8 . 1 1 38 38 THR N N 35 106.425 106.425 108.497 -2.072 17835 3176 1 8 . 1 1 38 38 THR HA H 35 4.163 4.163 4.098 0.065 17835 3177 1 8 . 1 1 38 38 THR C C 35 176.259 176.259 175.910 0.349 17835 3178 1 8 . 1 1 38 38 THR CA C 35 62.637 62.637 62.444 0.193 17835 3179 1 8 . 1 1 38 38 THR CB C 35 71.659 71.659 69.653 2.006 17835 3180 1 8 . 1 1 38 38 THR H H 35 8.168 8.168 7.879 0.289 17835 3181 1 8 . 1 1 39 39 GLY N N 36 112.162 112.162 111.435 0.727 17835 3182 1 8 . 1 1 39 39 GLY C C 36 172.464 172.464 172.879 -0.415 17835 3183 1 8 . 1 1 39 39 GLY CA C 36 45.225 45.225 45.159 0.066 17835 3184 1 8 . 1 1 39 39 GLY H H 36 8.759 8.759 8.080 0.679 17835 3185 1 8 . 1 1 40 40 ASP N N 37 121.106 121.106 118.568 2.538 17835 3186 1 8 . 1 1 40 40 ASP HA H 37 4.733 4.733 4.817 -0.085 17835 3187 1 8 . 1 1 40 40 ASP C C 37 173.861 173.861 174.269 -0.408 17835 3188 1 8 . 1 1 40 40 ASP CA C 37 52.159 52.159 52.061 0.098 17835 3189 1 8 . 1 1 40 40 ASP CB C 37 44.573 44.573 43.761 0.812 17835 3190 1 8 . 1 1 40 40 ASP H H 37 8.414 8.414 7.522 0.892 17835 3191 1 8 . 1 1 41 41 TRP N N 38 115.206 115.206 119.099 -3.893 17835 3192 1 8 . 1 1 41 41 TRP HA H 38 5.107 5.107 5.026 0.081 17835 3193 1 8 . 1 1 41 41 TRP C C 38 177.125 177.125 177.752 -0.627 17835 3194 1 8 . 1 1 41 41 TRP CA C 38 54.889 54.889 56.318 -1.429 17835 3195 1 8 . 1 1 41 41 TRP CB C 38 31.592 31.592 31.088 0.504 17835 3196 1 8 . 1 1 41 41 TRP H H 38 8.016 8.016 8.402 -0.386 17835 3197 1 8 . 1 1 42 42 ILE N N 39 123.723 123.723 123.092 0.631 17835 3198 1 8 . 1 1 42 42 ILE HA H 39 3.512 3.512 3.590 -0.078 17835 3199 1 8 . 1 1 42 42 ILE C C 39 177.199 177.199 175.736 1.463 17835 3200 1 8 . 1 1 42 42 ILE CA C 39 60.467 60.467 60.400 0.067 17835 3201 1 8 . 1 1 42 42 ILE CB C 39 38.133 38.133 36.739 1.394 17835 3202 1 8 . 1 1 42 42 ILE H H 39 10.079 10.079 9.320 0.759 17835 3203 1 8 . 1 1 43 43 PRO HA H 40 4.600 4.600 4.918 -0.318 17835 3204 1 8 . 1 1 43 43 PRO C C 40 174.997 174.997 177.375 -2.378 17835 3205 1 8 . 1 1 43 43 PRO CA C 40 62.511 62.511 62.370 0.141 17835 3206 1 8 . 1 1 43 43 PRO CB C 40 27.857 27.857 29.802 -1.945 17835 3207 1 8 . 1 1 44 44 PHE N N 41 118.808 118.808 119.622 -0.814 17835 3208 1 8 . 1 1 44 44 PHE HA H 41 3.737 3.737 4.191 -0.454 17835 3209 1 8 . 1 1 44 44 PHE C C 41 175.891 175.891 176.955 -1.064 17835 3210 1 8 . 1 1 44 44 PHE CA C 41 60.911 60.911 62.320 -1.409 17835 3211 1 8 . 1 1 44 44 PHE CB C 41 38.412 38.412 37.457 0.955 17835 3212 1 8 . 1 1 44 44 PHE H H 41 7.647 7.647 7.807 -0.160 17835 3213 1 8 . 1 1 45 45 LYS N N 42 123.543 123.543 118.674 4.869 17835 3214 1 8 . 1 1 45 45 LYS HA H 42 4.763 4.763 4.221 0.542 17835 3215 1 8 . 1 1 45 45 LYS C C 42 181.828 181.828 178.816 3.012 17835 3216 1 8 . 1 1 45 45 LYS CA C 42 58.959 58.959 57.302 1.657 17835 3217 1 8 . 1 1 45 45 LYS CB C 42 31.599 31.599 31.230 0.369 17835 3218 1 8 . 1 1 45 45 LYS H H 42 7.387 7.387 7.227 0.160 17835 3219 1 8 . 1 1 46 46 GLN N N 43 123.171 123.171 118.611 4.560 17835 3220 1 8 . 1 1 46 46 GLN HA H 43 3.896 3.896 4.036 -0.140 17835 3221 1 8 . 1 1 46 46 GLN C C 43 178.167 178.167 177.764 0.403 17835 3222 1 8 . 1 1 46 46 GLN CA C 43 59.066 59.066 58.477 0.589 17835 3223 1 8 . 1 1 46 46 GLN CB C 43 27.702 27.702 28.432 -0.730 17835 3224 1 8 . 1 1 46 46 GLN H H 43 8.567 8.567 7.262 1.305 17835 3225 1 8 . 1 1 47 47 LEU N N 44 116.472 116.472 118.453 -1.981 17835 3226 1 8 . 1 1 47 47 LEU HA H 44 4.255 4.255 4.187 0.068 17835 3227 1 8 . 1 1 47 47 LEU C C 44 176.103 176.103 178.098 -1.995 17835 3228 1 8 . 1 1 47 47 LEU CA C 44 55.308 55.308 56.206 -0.898 17835 3229 1 8 . 1 1 47 47 LEU CB C 44 41.374 41.374 42.846 -1.472 17835 3230 1 8 . 1 1 47 47 LEU H H 44 7.544 7.544 8.350 -0.806 17835 3231 1 8 . 1 1 48 48 GLY N N 45 104.932 104.932 103.799 1.133 17835 3232 1 8 . 1 1 48 48 GLY C C 45 173.844 173.844 174.415 -0.571 17835 3233 1 8 . 1 1 48 48 GLY CA C 45 44.826 44.826 44.408 0.418 17835 3234 1 8 . 1 1 48 48 GLY H H 45 7.741 7.741 7.877 -0.136 17835 3235 1 8 . 1 1 49 49 TYR N N 46 119.946 119.946 120.974 -1.028 17835 3236 1 8 . 1 1 49 49 TYR HA H 46 4.839 4.839 4.859 -0.020 17835 3237 1 8 . 1 1 49 49 TYR C C 46 174.575 174.575 174.925 -0.350 17835 3238 1 8 . 1 1 49 49 TYR CA C 46 56.349 56.349 56.136 0.213 17835 3239 1 8 . 1 1 49 49 TYR CB C 46 41.464 41.464 38.441 3.022 17835 3240 1 8 . 1 1 49 49 TYR H H 46 8.332 8.332 7.997 0.335 17835 3241 1 8 . 1 1 50 50 PRO HA H 47 4.556 4.556 4.470 0.086 17835 3242 1 8 . 1 1 50 50 PRO C C 47 177.125 177.125 176.818 0.307 17835 3243 1 8 . 1 1 50 50 PRO CA C 47 64.115 64.115 64.814 -0.699 17835 3244 1 8 . 1 1 50 50 PRO CB C 47 32.152 32.152 32.039 0.113 17835 3245 1 8 . 1 1 51 51 THR N N 48 105.643 105.643 106.454 -0.811 17835 3246 1 8 . 1 1 51 51 THR HA H 48 4.129 4.129 4.425 -0.296 17835 3247 1 8 . 1 1 51 51 THR C C 48 173.270 173.270 174.717 -1.447 17835 3248 1 8 . 1 1 51 51 THR CA C 48 58.738 58.738 59.589 -0.851 17835 3249 1 8 . 1 1 51 51 THR CB C 48 73.254 73.254 72.558 0.696 17835 3250 1 8 . 1 1 51 51 THR H H 48 6.939 6.939 7.651 -0.712 17835 3251 1 8 . 1 1 52 52 LEU N N 49 121.743 121.743 122.864 -1.121 17835 3252 1 8 . 1 1 52 52 LEU HA H 49 3.325 3.325 3.766 -0.441 17835 3253 1 8 . 1 1 52 52 LEU C C 49 178.195 178.195 178.781 -0.586 17835 3254 1 8 . 1 1 52 52 LEU CA C 49 57.551 57.551 57.590 -0.040 17835 3255 1 8 . 1 1 52 52 LEU CB C 49 40.517 40.517 40.253 0.264 17835 3256 1 8 . 1 1 52 52 LEU H H 49 7.849 7.849 8.189 -0.340 17835 3257 1 8 . 1 1 53 53 GLU N N 50 118.706 118.706 118.736 -0.030 17835 3258 1 8 . 1 1 53 53 GLU HA H 50 3.411 3.411 3.884 -0.473 17835 3259 1 8 . 1 1 53 53 GLU C C 50 176.853 176.853 178.520 -1.667 17835 3260 1 8 . 1 1 53 53 GLU CA C 50 60.720 60.720 59.400 1.320 17835 3261 1 8 . 1 1 53 53 GLU CB C 50 28.696 28.696 28.736 -0.041 17835 3262 1 8 . 1 1 53 53 GLU H H 50 8.981 8.981 8.736 0.245 17835 3263 1 8 . 1 1 54 54 ALA N N 51 119.673 119.673 122.671 -2.998 17835 3264 1 8 . 1 1 54 54 ALA HA H 51 3.885 3.885 4.028 -0.143 17835 3265 1 8 . 1 1 54 54 ALA C C 51 180.232 180.232 179.404 0.828 17835 3266 1 8 . 1 1 54 54 ALA CA C 51 55.127 55.127 55.041 0.086 17835 3267 1 8 . 1 1 54 54 ALA CB C 51 18.345 18.345 18.478 -0.133 17835 3268 1 8 . 1 1 54 54 ALA H H 51 8.001 8.001 7.704 0.297 17835 3269 1 8 . 1 1 55 55 TYR N N 52 117.474 117.474 120.265 -2.791 17835 3270 1 8 . 1 1 55 55 TYR HA H 52 2.898 2.898 3.301 -0.403 17835 3271 1 8 . 1 1 55 55 TYR C C 52 178.563 178.563 177.307 1.256 17835 3272 1 8 . 1 1 55 55 TYR CA C 52 59.876 59.876 61.215 -1.339 17835 3273 1 8 . 1 1 55 55 TYR CB C 52 37.365 37.365 38.246 -0.881 17835 3274 1 8 . 1 1 55 55 TYR H H 52 7.218 7.218 7.982 -0.764 17835 3275 1 8 . 1 1 56 56 LEU N N 53 121.106 121.106 117.745 3.361 17835 3276 1 8 . 1 1 56 56 LEU HA H 53 3.221 3.221 3.700 -0.479 17835 3277 1 8 . 1 1 56 56 LEU C C 53 179.706 179.706 179.290 0.416 17835 3278 1 8 . 1 1 56 56 LEU CA C 53 57.334 57.334 57.479 -0.145 17835 3279 1 8 . 1 1 56 56 LEU CB C 53 40.788 40.788 41.670 -0.882 17835 3280 1 8 . 1 1 56 56 LEU H H 53 8.440 8.440 8.110 0.330 17835 3281 1 8 . 1 1 57 57 ARG N N 54 116.303 116.303 120.051 -3.748 17835 3282 1 8 . 1 1 57 57 ARG HA H 54 3.722 3.722 4.011 -0.289 17835 3283 1 8 . 1 1 57 57 ARG C C 54 176.071 176.071 177.810 -1.739 17835 3284 1 8 . 1 1 57 57 ARG CA C 54 58.463 58.463 58.640 -0.177 17835 3285 1 8 . 1 1 57 57 ARG CB C 54 29.735 29.735 29.926 -0.191 17835 3286 1 8 . 1 1 57 57 ARG H H 54 7.998 7.998 8.618 -0.620 17835 3287 1 8 . 1 1 58 58 SER N N 55 115.365 115.365 113.018 2.347 17835 3288 1 8 . 1 1 58 58 SER HA H 55 4.357 4.357 4.379 -0.022 17835 3289 1 8 . 1 1 58 58 SER C C 55 173.970 173.970 173.875 0.095 17835 3290 1 8 . 1 1 58 58 SER CA C 55 59.762 59.762 60.017 -0.255 17835 3291 1 8 . 1 1 58 58 SER CB C 55 63.886 63.886 63.330 0.556 17835 3292 1 8 . 1 1 58 58 SER H H 55 7.491 7.491 7.618 -0.127 17835 3293 1 8 . 1 1 59 59 VAL N N 56 113.059 113.059 120.498 -7.439 17835 3294 1 8 . 1 1 59 59 VAL HA H 56 5.090 5.090 4.562 0.528 17835 3295 1 8 . 1 1 59 59 VAL C C 56 174.276 174.276 173.931 0.345 17835 3296 1 8 . 1 1 59 59 VAL CA C 56 58.444 58.444 58.700 -0.256 17835 3297 1 8 . 1 1 59 59 VAL CB C 56 31.559 31.559 32.661 -1.102 17835 3298 1 8 . 1 1 59 59 VAL H H 56 6.729 6.729 6.993 -0.264 17835 3299 1 8 . 1 1 60 60 PRO HA H 57 4.902 4.902 4.769 0.133 17835 3300 1 8 . 1 1 60 60 PRO C C 57 177.563 177.563 177.321 0.242 17835 3301 1 8 . 1 1 60 60 PRO CA C 57 64.541 64.541 64.518 0.023 17835 3302 1 8 . 1 1 60 60 PRO CB C 57 31.768 31.768 31.662 0.106 17835 3303 1 8 . 1 1 61 61 ALA N N 58 120.004 120.004 119.926 0.078 17835 3304 1 8 . 1 1 61 61 ALA HA H 58 4.327 4.327 4.295 0.032 17835 3305 1 8 . 1 1 61 61 ALA C C 58 177.191 177.191 177.868 -0.677 17835 3306 1 8 . 1 1 61 61 ALA CA C 58 52.795 52.795 53.285 -0.490 17835 3307 1 8 . 1 1 61 61 ALA CB C 58 18.427 18.427 19.427 -1.000 17835 3308 1 8 . 1 1 61 61 ALA H H 58 8.397 8.397 8.219 0.178 17835 3309 1 8 . 1 1 62 62 VAL N N 59 116.635 116.635 113.382 3.253 17835 3310 1 8 . 1 1 62 62 VAL HA H 59 4.032 4.032 4.290 -0.258 17835 3311 1 8 . 1 1 62 62 VAL C C 59 174.238 174.238 174.885 -0.647 17835 3312 1 8 . 1 1 62 62 VAL CA C 59 63.741 63.741 62.758 0.983 17835 3313 1 8 . 1 1 62 62 VAL CB C 59 34.115 34.115 34.852 -0.737 17835 3314 1 8 . 1 1 62 62 VAL H H 59 8.080 8.080 7.653 0.427 17835 3315 1 8 . 1 1 63 63 VAL N N 60 117.153 117.153 118.409 -1.256 17835 3316 1 8 . 1 1 63 63 VAL HA H 60 4.911 4.911 4.622 0.289 17835 3317 1 8 . 1 1 63 63 VAL C C 60 172.258 172.258 173.663 -1.405 17835 3318 1 8 . 1 1 63 63 VAL CA C 60 59.006 59.006 60.838 -1.832 17835 3319 1 8 . 1 1 63 63 VAL CB C 60 35.461 35.461 36.538 -1.077 17835 3320 1 8 . 1 1 63 63 VAL H H 60 7.791 7.791 8.090 -0.299 17835 3321 1 8 . 1 1 64 64 ARG N N 61 129.658 129.658 121.416 8.242 17835 3322 1 8 . 1 1 64 64 ARG HA H 61 4.727 4.727 4.709 0.018 17835 3323 1 8 . 1 1 64 64 ARG C C 61 174.437 174.437 173.596 0.841 17835 3324 1 8 . 1 1 64 64 ARG CA C 61 54.117 54.117 55.424 -1.307 17835 3325 1 8 . 1 1 64 64 ARG CB C 61 32.754 32.754 34.350 -1.596 17835 3326 1 8 . 1 1 64 64 ARG H H 61 9.208 9.208 9.009 0.199 17835 3327 1 8 . 1 1 65 65 ILE N N 62 125.775 125.775 118.226 7.549 17835 3328 1 8 . 1 1 65 65 ILE HA H 62 4.917 4.917 5.352 -0.435 17835 3329 1 8 . 1 1 65 65 ILE C C 62 175.842 175.842 174.508 1.334 17835 3330 1 8 . 1 1 65 65 ILE CA C 62 59.545 59.545 59.784 -0.239 17835 3331 1 8 . 1 1 65 65 ILE CB C 62 39.645 39.645 42.358 -2.713 17835 3332 1 8 . 1 1 65 65 ILE H H 62 8.736 8.736 8.318 0.418 17835 3333 1 8 . 1 1 66 66 GLU N N 63 127.114 127.114 123.145 3.969 17835 3334 1 8 . 1 1 66 66 GLU HA H 63 4.677 4.677 4.729 -0.052 17835 3335 1 8 . 1 1 66 66 GLU C C 63 174.409 174.409 175.378 -0.969 17835 3336 1 8 . 1 1 66 66 GLU CA C 63 54.791 54.791 55.254 -0.463 17835 3337 1 8 . 1 1 66 66 GLU CB C 63 33.078 33.078 32.506 0.572 17835 3338 1 8 . 1 1 66 66 GLU H H 63 9.197 9.197 9.078 0.119 17835 3339 1 8 . 1 1 67 67 ALA N N 64 127.913 127.913 129.973 -2.060 17835 3340 1 8 . 1 1 67 67 ALA HA H 64 5.026 5.026 4.632 0.394 17835 3341 1 8 . 1 1 67 67 ALA C C 64 177.717 177.717 177.166 0.551 17835 3342 1 8 . 1 1 67 67 ALA CA C 64 51.070 51.070 51.791 -0.722 17835 3343 1 8 . 1 1 67 67 ALA CB C 64 19.550 19.550 18.938 0.612 17835 3344 1 8 . 1 1 67 67 ALA H H 64 8.779 8.779 8.649 0.130 17835 3345 1 8 . 1 1 68 68 SER N N 65 119.364 119.364 120.000 -0.636 17835 3346 1 8 . 1 1 68 68 SER HA H 65 4.665 4.665 4.486 0.179 17835 3347 1 8 . 1 1 68 68 SER C C 65 176.518 176.518 176.761 -0.243 17835 3348 1 8 . 1 1 68 68 SER CA C 65 57.096 57.096 56.918 0.178 17835 3349 1 8 . 1 1 68 68 SER CB C 65 65.234 65.234 64.300 0.934 17835 3350 1 8 . 1 1 68 68 SER H H 65 8.951 8.951 8.555 0.396 17835 3351 1 8 . 1 1 69 69 ARG N N 66 123.143 123.143 125.917 -2.774 17835 3352 1 8 . 1 1 69 69 ARG HA H 66 4.153 4.153 4.203 -0.050 17835 3353 1 8 . 1 1 69 69 ARG C C 66 177.356 177.356 176.611 0.745 17835 3354 1 8 . 1 1 69 69 ARG CA C 66 58.973 58.973 57.682 1.291 17835 3355 1 8 . 1 1 69 69 ARG CB C 66 29.659 29.659 29.633 0.026 17835 3356 1 8 . 1 1 69 69 ARG H H 66 9.075 9.075 8.914 0.161 17835 3357 1 8 . 1 1 70 70 SER N N 67 112.081 112.081 115.248 -3.167 17835 3358 1 8 . 1 1 70 70 SER HA H 67 4.416 4.416 4.436 -0.020 17835 3359 1 8 . 1 1 70 70 SER C C 67 175.146 175.146 175.494 -0.348 17835 3360 1 8 . 1 1 70 70 SER CA C 67 58.413 58.413 58.405 0.008 17835 3361 1 8 . 1 1 70 70 SER CB C 67 63.477 63.477 63.674 -0.197 17835 3362 1 8 . 1 1 70 70 SER H H 67 8.083 8.083 7.833 0.250 17835 3363 1 8 . 1 1 71 71 GLY N N 68 110.519 110.519 108.955 1.564 17835 3364 1 8 . 1 1 71 71 GLY C C 68 174.116 174.116 174.337 -0.221 17835 3365 1 8 . 1 1 71 71 GLY CA C 68 45.114 45.114 45.176 -0.062 17835 3366 1 8 . 1 1 71 71 GLY H H 68 7.974 7.974 7.848 0.126 17835 3367 1 8 . 1 1 72 72 GLU N N 69 120.663 120.663 121.295 -0.632 17835 3368 1 8 . 1 1 72 72 GLU HA H 69 4.289 4.289 4.482 -0.193 17835 3369 1 8 . 1 1 72 72 GLU C C 69 175.352 175.352 175.424 -0.072 17835 3370 1 8 . 1 1 72 72 GLU CA C 69 56.082 56.082 55.827 0.255 17835 3371 1 8 . 1 1 72 72 GLU CB C 69 30.517 30.517 30.846 -0.329 17835 3372 1 8 . 1 1 72 72 GLU H H 69 7.630 7.630 8.116 -0.486 17835 3373 1 8 . 1 1 73 73 ILE N N 70 125.775 125.775 121.143 4.632 17835 3374 1 8 . 1 1 73 73 ILE HA H 70 4.367 4.367 4.906 -0.539 17835 3375 1 8 . 1 1 73 73 ILE C C 70 174.613 174.613 173.908 0.705 17835 3376 1 8 . 1 1 73 73 ILE CA C 70 60.876 60.876 59.373 1.503 17835 3377 1 8 . 1 1 73 73 ILE CB C 70 37.465 37.465 41.182 -3.717 17835 3378 1 8 . 1 1 73 73 ILE H H 70 8.753 8.753 8.301 0.452 17835 3379 1 8 . 1 1 74 74 VAL N N 71 128.300 128.300 128.015 0.285 17835 3380 1 8 . 1 1 74 74 VAL HA H 71 4.153 4.153 4.383 -0.230 17835 3381 1 8 . 1 1 74 74 VAL C C 71 173.544 173.544 175.071 -1.527 17835 3382 1 8 . 1 1 74 74 VAL CA C 71 61.736 61.736 60.723 1.013 17835 3383 1 8 . 1 1 74 74 VAL CB C 71 33.763 33.763 33.759 0.004 17835 3384 1 8 . 1 1 74 74 VAL H H 71 8.724 8.724 8.749 -0.025 17835 3385 1 8 . 1 1 75 75 CYS N N 72 122.823 122.823 125.307 -2.484 17835 3386 1 8 . 1 1 75 75 CYS HA H 72 4.948 4.948 5.010 -0.062 17835 3387 1 8 . 1 1 75 75 CYS C C 72 173.200 173.200 174.241 -1.041 17835 3388 1 8 . 1 1 75 75 CYS CA C 72 57.176 57.176 56.962 0.214 17835 3389 1 8 . 1 1 75 75 CYS CB C 72 29.712 29.712 28.182 1.530 17835 3390 1 8 . 1 1 75 75 CYS H H 72 8.200 8.200 8.778 -0.578 17835 3391 1 8 . 1 1 76 76 TYR N N 73 119.584 119.584 119.062 0.522 17835 3392 1 8 . 1 1 76 76 TYR HA H 73 5.013 5.013 4.736 0.277 17835 3393 1 8 . 1 1 76 76 TYR C C 73 175.779 175.779 174.766 1.013 17835 3394 1 8 . 1 1 76 76 TYR CA C 73 56.289 56.289 57.086 -0.797 17835 3395 1 8 . 1 1 76 76 TYR CB C 73 42.505 42.505 42.913 -0.408 17835 3396 1 8 . 1 1 76 76 TYR H H 73 9.265 9.265 9.275 -0.010 17835 3397 1 8 . 1 1 77 77 ALA N N 74 122.844 122.844 121.841 1.003 17835 3398 1 8 . 1 1 77 77 ALA HA H 74 4.423 4.423 4.649 -0.226 17835 3399 1 8 . 1 1 77 77 ALA C C 74 177.907 177.907 175.593 2.314 17835 3400 1 8 . 1 1 77 77 ALA CA C 74 52.151 52.151 51.211 0.940 17835 3401 1 8 . 1 1 77 77 ALA CB C 74 18.915 18.915 21.086 -2.171 17835 3402 1 8 . 1 1 77 77 ALA H H 74 9.145 9.145 8.863 0.282 17835 3403 1 8 . 1 1 78 78 VAL N N 75 123.434 123.434 116.855 6.579 17835 3404 1 8 . 1 1 78 78 VAL HA H 75 3.826 3.826 4.294 -0.468 17835 3405 1 8 . 1 1 78 78 VAL C C 75 174.995 174.995 174.782 0.213 17835 3406 1 8 . 1 1 78 78 VAL CA C 75 63.379 63.379 62.348 1.031 17835 3407 1 8 . 1 1 78 78 VAL CB C 75 32.715 32.715 34.660 -1.945 17835 3408 1 8 . 1 1 78 78 VAL H H 75 7.894 7.894 8.446 -0.552 17835 3409 1 9 . 1 1 5 5 LEU N N 2 124.907 124.907 122.304 2.603 17835 3410 1 9 . 1 1 5 5 LEU HA H 2 4.299 4.299 4.418 -0.119 17835 3411 1 9 . 1 1 5 5 LEU C C 2 177.892 177.892 177.866 0.026 17835 3412 1 9 . 1 1 5 5 LEU CA C 2 55.749 55.749 54.578 1.171 17835 3413 1 9 . 1 1 5 5 LEU CB C 2 42.001 42.001 42.559 -0.558 17835 3414 1 9 . 1 1 5 5 LEU H H 2 8.636 8.636 8.381 0.255 17835 3415 1 9 . 1 1 6 6 GLU N N 3 122.649 122.649 122.152 0.497 17835 3416 1 9 . 1 1 6 6 GLU HA H 3 4.172 4.172 3.961 0.211 17835 3417 1 9 . 1 1 6 6 GLU C C 3 177.481 177.481 178.519 -1.038 17835 3418 1 9 . 1 1 6 6 GLU CA C 3 58.106 58.106 60.046 -1.940 17835 3419 1 9 . 1 1 6 6 GLU CB C 3 28.874 28.874 29.720 -0.846 17835 3420 1 9 . 1 1 6 6 GLU H H 3 8.594 8.594 8.959 -0.365 17835 3421 1 9 . 1 1 7 7 ALA N N 4 121.929 121.929 121.262 0.667 17835 3422 1 9 . 1 1 7 7 ALA HA H 4 3.944 3.944 4.182 -0.238 17835 3423 1 9 . 1 1 7 7 ALA C C 4 180.419 180.419 179.309 1.110 17835 3424 1 9 . 1 1 7 7 ALA CA C 4 55.686 55.686 55.016 0.670 17835 3425 1 9 . 1 1 7 7 ALA CB C 4 18.587 18.587 17.987 0.600 17835 3426 1 9 . 1 1 7 7 ALA H H 4 8.744 8.744 8.407 0.337 17835 3427 1 9 . 1 1 8 8 ASP N N 5 117.514 117.514 119.599 -2.085 17835 3428 1 9 . 1 1 8 8 ASP HA H 5 4.482 4.482 4.502 -0.020 17835 3429 1 9 . 1 1 8 8 ASP C C 5 178.010 178.010 178.164 -0.154 17835 3430 1 9 . 1 1 8 8 ASP CA C 5 56.603 56.603 56.855 -0.252 17835 3431 1 9 . 1 1 8 8 ASP CB C 5 40.353 40.353 40.699 -0.346 17835 3432 1 9 . 1 1 8 8 ASP H H 5 8.071 8.071 8.262 -0.191 17835 3433 1 9 . 1 1 9 9 LEU N N 6 122.640 122.640 121.369 1.271 17835 3434 1 9 . 1 1 9 9 LEU HA H 6 4.165 4.165 3.995 0.170 17835 3435 1 9 . 1 1 9 9 LEU C C 6 178.699 178.699 178.489 0.210 17835 3436 1 9 . 1 1 9 9 LEU CA C 6 57.986 57.986 58.364 -0.378 17835 3437 1 9 . 1 1 9 9 LEU CB C 6 41.675 41.675 42.080 -0.404 17835 3438 1 9 . 1 1 9 9 LEU H H 6 7.713 7.713 8.191 -0.478 17835 3439 1 9 . 1 1 10 10 VAL N N 7 119.303 119.303 115.833 3.470 17835 3440 1 9 . 1 1 10 10 VAL HA H 7 4.025 4.025 3.805 0.220 17835 3441 1 9 . 1 1 10 10 VAL C C 7 178.570 178.570 177.841 0.729 17835 3442 1 9 . 1 1 10 10 VAL CA C 7 65.683 65.683 66.786 -1.103 17835 3443 1 9 . 1 1 10 10 VAL CB C 7 31.841 31.841 31.324 0.517 17835 3444 1 9 . 1 1 10 10 VAL H H 7 8.115 8.115 8.194 -0.079 17835 3445 1 9 . 1 1 11 11 SER N N 8 113.146 113.146 118.477 -5.331 17835 3446 1 9 . 1 1 11 11 SER HA H 8 4.042 4.042 4.270 -0.228 17835 3447 1 9 . 1 1 11 11 SER C C 8 176.364 176.364 176.717 -0.353 17835 3448 1 9 . 1 1 11 11 SER CA C 8 62.600 62.600 62.799 -0.199 17835 3449 1 9 . 1 1 11 11 SER CB C 8 61.596 61.596 63.105 -1.509 17835 3450 1 9 . 1 1 11 11 SER H H 8 7.796 7.796 8.023 -0.227 17835 3451 1 9 . 1 1 12 12 LYS N N 9 121.690 121.690 122.068 -0.378 17835 3452 1 9 . 1 1 12 12 LYS HA H 9 4.044 4.044 3.969 0.075 17835 3453 1 9 . 1 1 12 12 LYS C C 9 180.048 180.048 178.818 1.230 17835 3454 1 9 . 1 1 12 12 LYS CA C 9 60.002 60.002 59.829 0.173 17835 3455 1 9 . 1 1 12 12 LYS CB C 9 32.839 32.839 32.388 0.451 17835 3456 1 9 . 1 1 12 12 LYS H H 9 7.754 7.754 8.316 -0.562 17835 3457 1 9 . 1 1 13 13 MET N N 10 119.794 119.794 118.651 1.143 17835 3458 1 9 . 1 1 13 13 MET HA H 10 4.420 4.420 4.141 0.279 17835 3459 1 9 . 1 1 13 13 MET C C 10 178.151 178.151 178.358 -0.207 17835 3460 1 9 . 1 1 13 13 MET CA C 10 57.095 57.095 59.050 -1.955 17835 3461 1 9 . 1 1 13 13 MET CB C 10 31.599 31.599 32.657 -1.058 17835 3462 1 9 . 1 1 13 13 MET H H 10 8.451 8.451 8.408 0.043 17835 3463 1 9 . 1 1 14 14 LEU N N 11 122.035 122.035 122.394 -0.359 17835 3464 1 9 . 1 1 14 14 LEU HA H 11 4.207 4.207 4.137 0.070 17835 3465 1 9 . 1 1 14 14 LEU C C 11 178.526 178.526 177.885 0.641 17835 3466 1 9 . 1 1 14 14 LEU CA C 11 58.178 58.178 59.083 -0.905 17835 3467 1 9 . 1 1 14 14 LEU CB C 11 42.148 42.148 41.735 0.413 17835 3468 1 9 . 1 1 14 14 LEU H H 11 9.301 9.301 8.672 0.629 17835 3469 1 9 . 1 1 15 15 ARG N N 12 118.150 118.150 119.377 -1.227 17835 3470 1 9 . 1 1 15 15 ARG HA H 12 3.839 3.839 3.846 -0.007 17835 3471 1 9 . 1 1 15 15 ARG C C 12 177.951 177.951 178.360 -0.409 17835 3472 1 9 . 1 1 15 15 ARG CA C 12 60.500 60.500 59.289 1.211 17835 3473 1 9 . 1 1 15 15 ARG CB C 12 29.966 29.966 29.794 0.172 17835 3474 1 9 . 1 1 15 15 ARG H H 12 8.248 8.248 8.434 -0.186 17835 3475 1 9 . 1 1 16 16 ALA N N 13 120.291 120.291 121.966 -1.675 17835 3476 1 9 . 1 1 16 16 ALA HA H 13 4.150 4.150 4.102 0.048 17835 3477 1 9 . 1 1 16 16 ALA C C 13 181.072 181.072 179.948 1.124 17835 3478 1 9 . 1 1 16 16 ALA CA C 13 55.371 55.371 55.004 0.367 17835 3479 1 9 . 1 1 16 16 ALA CB C 13 17.845 17.845 18.169 -0.324 17835 3480 1 9 . 1 1 16 16 ALA H H 13 7.587 7.587 8.198 -0.611 17835 3481 1 9 . 1 1 17 17 VAL N N 14 119.183 119.183 118.890 0.293 17835 3482 1 9 . 1 1 17 17 VAL HA H 14 3.858 3.858 3.393 0.465 17835 3483 1 9 . 1 1 17 17 VAL C C 14 178.531 178.531 177.994 0.537 17835 3484 1 9 . 1 1 17 17 VAL CA C 14 65.552 65.552 66.355 -0.803 17835 3485 1 9 . 1 1 17 17 VAL CB C 14 32.190 32.190 30.926 1.264 17835 3486 1 9 . 1 1 17 17 VAL H H 14 8.324 8.324 8.133 0.191 17835 3487 1 9 . 1 1 18 18 LEU N N 15 120.498 120.498 119.004 1.494 17835 3488 1 9 . 1 1 18 18 LEU HA H 15 3.985 3.985 3.952 0.033 17835 3489 1 9 . 1 1 18 18 LEU C C 15 179.935 179.935 179.875 0.060 17835 3490 1 9 . 1 1 18 18 LEU CA C 15 58.474 58.474 57.582 0.892 17835 3491 1 9 . 1 1 18 18 LEU CB C 15 41.885 41.885 41.507 0.378 17835 3492 1 9 . 1 1 18 18 LEU H H 15 8.388 8.388 8.021 0.367 17835 3493 1 9 . 1 1 19 19 GLN N N 16 117.835 117.835 117.511 0.324 17835 3494 1 9 . 1 1 19 19 GLN HA H 16 3.981 3.981 3.981 -0.000 17835 3495 1 9 . 1 1 19 19 GLN C C 16 177.304 177.304 178.526 -1.222 17835 3496 1 9 . 1 1 19 19 GLN CA C 16 58.668 58.668 58.535 0.133 17835 3497 1 9 . 1 1 19 19 GLN CB C 16 28.274 28.274 28.500 -0.226 17835 3498 1 9 . 1 1 19 19 GLN H H 16 8.689 8.689 8.399 0.290 17835 3499 1 9 . 1 1 20 20 SER N N 17 111.043 111.043 116.811 -5.768 17835 3500 1 9 . 1 1 20 20 SER HA H 17 4.386 4.386 4.346 0.040 17835 3501 1 9 . 1 1 20 20 SER C C 17 173.630 173.630 176.555 -2.925 17835 3502 1 9 . 1 1 20 20 SER CA C 17 59.252 59.252 61.218 -1.966 17835 3503 1 9 . 1 1 20 20 SER CB C 17 63.600 63.600 63.639 -0.039 17835 3504 1 9 . 1 1 20 20 SER H H 17 7.461 7.461 7.963 -0.502 17835 3505 1 9 . 1 1 21 21 HIS N N 18 121.324 121.324 120.909 0.415 17835 3506 1 9 . 1 1 21 21 HIS HA H 18 4.824 4.824 4.787 0.037 17835 3507 1 9 . 1 1 21 21 HIS C C 18 174.835 174.835 175.367 -0.532 17835 3508 1 9 . 1 1 21 21 HIS CA C 18 54.386 54.386 52.989 1.397 17835 3509 1 9 . 1 1 21 21 HIS CB C 18 28.657 28.657 27.472 1.185 17835 3510 1 9 . 1 1 21 21 HIS H H 18 7.692 7.692 8.249 -0.557 17835 3511 1 9 . 1 1 22 22 LYS N N 19 123.925 123.925 121.071 2.854 17835 3512 1 9 . 1 1 22 22 LYS HA H 19 4.161 4.161 4.087 0.074 17835 3513 1 9 . 1 1 22 22 LYS C C 19 177.562 177.562 177.534 0.028 17835 3514 1 9 . 1 1 22 22 LYS CA C 19 59.316 59.316 58.555 0.761 17835 3515 1 9 . 1 1 22 22 LYS CB C 19 32.202 32.202 32.132 0.070 17835 3516 1 9 . 1 1 22 22 LYS H H 19 8.809 8.809 7.759 1.050 17835 3517 1 9 . 1 1 23 23 ASN N N 20 115.473 115.473 115.821 -0.348 17835 3518 1 9 . 1 1 23 23 ASN HA H 20 5.073 5.073 4.651 0.422 17835 3519 1 9 . 1 1 23 23 ASN C C 20 174.783 174.783 176.009 -1.226 17835 3520 1 9 . 1 1 23 23 ASN CA C 20 52.835 52.835 53.917 -1.082 17835 3521 1 9 . 1 1 23 23 ASN CB C 20 38.540 38.540 39.022 -0.482 17835 3522 1 9 . 1 1 23 23 ASN H H 20 8.784 8.784 8.093 0.691 17835 3523 1 9 . 1 1 24 24 GLY N N 21 107.402 107.402 107.238 0.164 17835 3524 1 9 . 1 1 24 24 GLY C C 21 172.572 172.572 172.952 -0.380 17835 3525 1 9 . 1 1 24 24 GLY CA C 21 44.739 44.739 44.297 0.442 17835 3526 1 9 . 1 1 24 24 GLY H H 21 7.743 7.743 7.886 -0.143 17835 3527 1 9 . 1 1 25 25 ILE N N 22 117.796 117.796 115.997 1.799 17835 3528 1 9 . 1 1 25 25 ILE HA H 22 4.272 4.272 4.679 -0.407 17835 3529 1 9 . 1 1 25 25 ILE C C 22 175.452 175.452 174.968 0.484 17835 3530 1 9 . 1 1 25 25 ILE CA C 22 59.468 59.468 59.176 0.292 17835 3531 1 9 . 1 1 25 25 ILE CB C 22 41.833 41.833 40.357 1.476 17835 3532 1 9 . 1 1 25 25 ILE H H 22 8.509 8.509 8.161 0.348 17835 3533 1 9 . 1 1 26 26 VAL N N 23 124.597 124.597 121.753 2.844 17835 3534 1 9 . 1 1 26 26 VAL HA H 23 4.585 4.585 4.472 0.113 17835 3535 1 9 . 1 1 26 26 VAL C C 23 177.566 177.566 177.674 -0.108 17835 3536 1 9 . 1 1 26 26 VAL CA C 23 62.227 62.227 62.387 -0.160 17835 3537 1 9 . 1 1 26 26 VAL CB C 23 31.945 31.945 32.202 -0.257 17835 3538 1 9 . 1 1 26 26 VAL H H 23 8.524 8.524 8.351 0.173 17835 3539 1 9 . 1 1 27 27 LEU N N 24 124.858 124.858 122.342 2.516 17835 3540 1 9 . 1 1 27 27 LEU HA H 24 4.011 4.011 4.348 -0.337 17835 3541 1 9 . 1 1 27 27 LEU C C 24 175.569 175.569 176.522 -0.953 17835 3542 1 9 . 1 1 27 27 LEU CA C 24 60.394 60.394 58.863 1.531 17835 3543 1 9 . 1 1 27 27 LEU CB C 24 39.402 39.402 38.874 0.528 17835 3544 1 9 . 1 1 27 27 LEU H H 24 8.816 8.816 8.513 0.303 17835 3545 1 9 . 1 1 28 28 PRO HA H 25 4.401 4.401 4.287 0.114 17835 3546 1 9 . 1 1 28 28 PRO C C 25 177.600 177.600 179.329 -1.729 17835 3547 1 9 . 1 1 28 28 PRO CA C 25 65.549 65.549 65.400 0.149 17835 3548 1 9 . 1 1 28 28 PRO CB C 25 31.458 31.458 31.120 0.338 17835 3549 1 9 . 1 1 29 29 ARG N N 26 115.136 115.136 119.635 -4.499 17835 3550 1 9 . 1 1 29 29 ARG HA H 26 4.511 4.511 4.185 0.326 17835 3551 1 9 . 1 1 29 29 ARG C C 26 177.152 177.152 178.477 -1.325 17835 3552 1 9 . 1 1 29 29 ARG CA C 26 55.853 55.853 59.101 -3.248 17835 3553 1 9 . 1 1 29 29 ARG CB C 26 30.981 30.981 30.098 0.883 17835 3554 1 9 . 1 1 29 29 ARG H H 26 7.869 7.869 7.738 0.131 17835 3555 1 9 . 1 1 30 30 LEU N N 27 122.984 122.984 121.607 1.377 17835 3556 1 9 . 1 1 30 30 LEU HA H 27 3.842 3.842 3.963 -0.121 17835 3557 1 9 . 1 1 30 30 LEU C C 27 177.872 177.872 178.505 -0.633 17835 3558 1 9 . 1 1 30 30 LEU CA C 27 59.458 59.458 58.651 0.807 17835 3559 1 9 . 1 1 30 30 LEU CB C 27 42.326 42.326 41.363 0.963 17835 3560 1 9 . 1 1 30 30 LEU H H 27 7.870 7.870 8.611 -0.741 17835 3561 1 9 . 1 1 31 31 GLN N N 28 117.382 117.382 118.029 -0.647 17835 3562 1 9 . 1 1 31 31 GLN HA H 28 4.689 4.689 3.994 0.695 17835 3563 1 9 . 1 1 31 31 GLN C C 28 178.888 178.888 179.023 -0.135 17835 3564 1 9 . 1 1 31 31 GLN CA C 28 60.243 60.243 59.351 0.892 17835 3565 1 9 . 1 1 31 31 GLN CB C 28 27.811 27.811 28.542 -0.731 17835 3566 1 9 . 1 1 31 31 GLN H H 28 9.217 9.217 8.056 1.161 17835 3567 1 9 . 1 1 32 32 GLY N N 29 105.066 105.066 107.874 -2.808 17835 3568 1 9 . 1 1 32 32 GLY C C 29 177.579 177.579 176.445 1.134 17835 3569 1 9 . 1 1 32 32 GLY CA C 29 47.254 47.254 47.300 -0.045 17835 3570 1 9 . 1 1 32 32 GLY H H 29 8.680 8.680 8.294 0.386 17835 3571 1 9 . 1 1 33 33 GLU N N 30 121.593 121.593 122.703 -1.110 17835 3572 1 9 . 1 1 33 33 GLU HA H 30 4.274 4.274 4.164 0.110 17835 3573 1 9 . 1 1 33 33 GLU C C 30 179.316 179.316 178.865 0.451 17835 3574 1 9 . 1 1 33 33 GLU CA C 30 59.068 59.068 59.190 -0.122 17835 3575 1 9 . 1 1 33 33 GLU CB C 30 29.077 29.077 29.579 -0.502 17835 3576 1 9 . 1 1 33 33 GLU H H 30 8.063 8.063 8.429 -0.366 17835 3577 1 9 . 1 1 34 34 TYR N N 31 123.143 123.143 122.058 1.085 17835 3578 1 9 . 1 1 34 34 TYR HA H 31 4.083 4.083 4.068 0.015 17835 3579 1 9 . 1 1 34 34 TYR C C 31 178.379 178.379 177.355 1.024 17835 3580 1 9 . 1 1 34 34 TYR CA C 31 62.406 62.406 61.587 0.819 17835 3581 1 9 . 1 1 34 34 TYR CB C 31 39.405 39.405 38.490 0.914 17835 3582 1 9 . 1 1 34 34 TYR H H 31 9.063 9.063 8.738 0.325 17835 3583 1 9 . 1 1 35 35 ARG N N 32 123.458 123.458 119.798 3.660 17835 3584 1 9 . 1 1 35 35 ARG HA H 32 4.281 4.281 3.971 0.310 17835 3585 1 9 . 1 1 35 35 ARG C C 32 180.186 180.186 179.009 1.177 17835 3586 1 9 . 1 1 35 35 ARG CA C 32 58.908 58.908 58.665 0.243 17835 3587 1 9 . 1 1 35 35 ARG CB C 32 29.708 29.708 29.528 0.180 17835 3588 1 9 . 1 1 35 35 ARG H H 32 9.321 9.321 8.589 0.732 17835 3589 1 9 . 1 1 36 36 SER N N 33 116.071 116.071 115.573 0.498 17835 3590 1 9 . 1 1 36 36 SER HA H 33 4.048 4.048 4.091 -0.043 17835 3591 1 9 . 1 1 36 36 SER C C 33 175.063 175.063 175.733 -0.670 17835 3592 1 9 . 1 1 36 36 SER CA C 33 61.856 61.856 61.041 0.815 17835 3593 1 9 . 1 1 36 36 SER CB C 33 62.779 62.779 62.967 -0.188 17835 3594 1 9 . 1 1 36 36 SER H H 33 8.078 8.078 7.986 0.092 17835 3595 1 9 . 1 1 37 37 LEU N N 34 118.571 118.571 122.483 -3.912 17835 3596 1 9 . 1 1 37 37 LEU HA H 34 4.342 4.342 4.175 0.167 17835 3597 1 9 . 1 1 37 37 LEU C C 34 178.400 178.400 178.432 -0.032 17835 3598 1 9 . 1 1 37 37 LEU CA C 34 57.073 57.073 57.350 -0.277 17835 3599 1 9 . 1 1 37 37 LEU CB C 34 43.132 43.132 42.255 0.877 17835 3600 1 9 . 1 1 37 37 LEU H H 34 7.167 7.167 7.534 -0.367 17835 3601 1 9 . 1 1 38 38 THR N N 35 106.425 106.425 109.388 -2.963 17835 3602 1 9 . 1 1 38 38 THR HA H 35 4.163 4.163 4.096 0.067 17835 3603 1 9 . 1 1 38 38 THR C C 35 176.259 176.259 175.992 0.267 17835 3604 1 9 . 1 1 38 38 THR CA C 35 62.637 62.637 62.759 -0.122 17835 3605 1 9 . 1 1 38 38 THR CB C 35 71.659 71.659 69.740 1.919 17835 3606 1 9 . 1 1 38 38 THR H H 35 8.168 8.168 7.893 0.275 17835 3607 1 9 . 1 1 39 39 GLY N N 36 112.162 112.162 112.226 -0.064 17835 3608 1 9 . 1 1 39 39 GLY C C 36 172.464 172.464 172.728 -0.264 17835 3609 1 9 . 1 1 39 39 GLY CA C 36 45.225 45.225 45.155 0.070 17835 3610 1 9 . 1 1 39 39 GLY H H 36 8.759 8.759 8.051 0.708 17835 3611 1 9 . 1 1 40 40 ASP N N 37 121.106 121.106 118.414 2.692 17835 3612 1 9 . 1 1 40 40 ASP HA H 37 4.733 4.733 4.698 0.035 17835 3613 1 9 . 1 1 40 40 ASP C C 37 173.861 173.861 174.190 -0.329 17835 3614 1 9 . 1 1 40 40 ASP CA C 37 52.159 52.159 51.826 0.333 17835 3615 1 9 . 1 1 40 40 ASP CB C 37 44.573 44.573 43.502 1.071 17835 3616 1 9 . 1 1 40 40 ASP H H 37 8.414 8.414 7.453 0.961 17835 3617 1 9 . 1 1 41 41 TRP N N 38 115.206 115.206 121.120 -5.914 17835 3618 1 9 . 1 1 41 41 TRP HA H 38 5.107 5.107 4.866 0.241 17835 3619 1 9 . 1 1 41 41 TRP C C 38 177.125 177.125 177.323 -0.198 17835 3620 1 9 . 1 1 41 41 TRP CA C 38 54.889 54.889 55.998 -1.109 17835 3621 1 9 . 1 1 41 41 TRP CB C 38 31.592 31.592 30.635 0.957 17835 3622 1 9 . 1 1 41 41 TRP H H 38 8.016 8.016 8.163 -0.147 17835 3623 1 9 . 1 1 42 42 ILE N N 39 123.723 123.723 122.778 0.945 17835 3624 1 9 . 1 1 42 42 ILE HA H 39 3.512 3.512 3.651 -0.139 17835 3625 1 9 . 1 1 42 42 ILE C C 39 177.199 177.199 175.624 1.575 17835 3626 1 9 . 1 1 42 42 ILE CA C 39 60.467 60.467 60.516 -0.049 17835 3627 1 9 . 1 1 42 42 ILE CB C 39 38.133 38.133 37.119 1.014 17835 3628 1 9 . 1 1 42 42 ILE H H 39 10.079 10.079 8.625 1.454 17835 3629 1 9 . 1 1 43 43 PRO HA H 40 4.600 4.600 4.734 -0.134 17835 3630 1 9 . 1 1 43 43 PRO C C 40 174.997 174.997 176.827 -1.830 17835 3631 1 9 . 1 1 43 43 PRO CA C 40 62.511 62.511 62.333 0.178 17835 3632 1 9 . 1 1 43 43 PRO CB C 40 27.857 27.857 29.424 -1.567 17835 3633 1 9 . 1 1 44 44 PHE N N 41 118.808 118.808 119.776 -0.968 17835 3634 1 9 . 1 1 44 44 PHE HA H 41 3.737 3.737 4.249 -0.512 17835 3635 1 9 . 1 1 44 44 PHE C C 41 175.891 175.891 176.960 -1.069 17835 3636 1 9 . 1 1 44 44 PHE CA C 41 60.911 60.911 62.172 -1.261 17835 3637 1 9 . 1 1 44 44 PHE CB C 41 38.412 38.412 37.489 0.923 17835 3638 1 9 . 1 1 44 44 PHE H H 41 7.647 7.647 7.931 -0.284 17835 3639 1 9 . 1 1 45 45 LYS N N 42 123.543 123.543 119.288 4.255 17835 3640 1 9 . 1 1 45 45 LYS HA H 42 4.763 4.763 4.243 0.520 17835 3641 1 9 . 1 1 45 45 LYS C C 42 181.828 181.828 178.746 3.082 17835 3642 1 9 . 1 1 45 45 LYS CA C 42 58.959 58.959 57.429 1.530 17835 3643 1 9 . 1 1 45 45 LYS CB C 42 31.599 31.599 31.199 0.400 17835 3644 1 9 . 1 1 45 45 LYS H H 42 7.387 7.387 7.330 0.057 17835 3645 1 9 . 1 1 46 46 GLN N N 43 123.171 123.171 118.595 4.576 17835 3646 1 9 . 1 1 46 46 GLN HA H 43 3.896 3.896 4.012 -0.116 17835 3647 1 9 . 1 1 46 46 GLN C C 43 178.167 178.167 177.941 0.226 17835 3648 1 9 . 1 1 46 46 GLN CA C 43 59.066 59.066 58.629 0.437 17835 3649 1 9 . 1 1 46 46 GLN CB C 43 27.702 27.702 28.160 -0.458 17835 3650 1 9 . 1 1 46 46 GLN H H 43 8.567 8.567 7.937 0.630 17835 3651 1 9 . 1 1 47 47 LEU N N 44 116.472 116.472 118.200 -1.728 17835 3652 1 9 . 1 1 47 47 LEU HA H 44 4.255 4.255 4.243 0.012 17835 3653 1 9 . 1 1 47 47 LEU C C 44 176.103 176.103 178.054 -1.951 17835 3654 1 9 . 1 1 47 47 LEU CA C 44 55.308 55.308 55.851 -0.543 17835 3655 1 9 . 1 1 47 47 LEU CB C 44 41.374 41.374 42.937 -1.563 17835 3656 1 9 . 1 1 47 47 LEU H H 44 7.544 7.544 8.214 -0.670 17835 3657 1 9 . 1 1 48 48 GLY N N 45 104.932 104.932 105.224 -0.292 17835 3658 1 9 . 1 1 48 48 GLY C C 45 173.844 173.844 174.457 -0.613 17835 3659 1 9 . 1 1 48 48 GLY CA C 45 44.826 44.826 44.387 0.439 17835 3660 1 9 . 1 1 48 48 GLY H H 45 7.741 7.741 7.813 -0.072 17835 3661 1 9 . 1 1 49 49 TYR N N 46 119.946 119.946 120.903 -0.957 17835 3662 1 9 . 1 1 49 49 TYR HA H 46 4.839 4.839 4.761 0.078 17835 3663 1 9 . 1 1 49 49 TYR C C 46 174.575 174.575 175.290 -0.715 17835 3664 1 9 . 1 1 49 49 TYR CA C 46 56.349 56.349 56.344 0.005 17835 3665 1 9 . 1 1 49 49 TYR CB C 46 41.464 41.464 38.195 3.269 17835 3666 1 9 . 1 1 49 49 TYR H H 46 8.332 8.332 8.109 0.223 17835 3667 1 9 . 1 1 50 50 PRO HA H 47 4.556 4.556 4.472 0.084 17835 3668 1 9 . 1 1 50 50 PRO C C 47 177.125 177.125 176.701 0.424 17835 3669 1 9 . 1 1 50 50 PRO CA C 47 64.115 64.115 64.775 -0.660 17835 3670 1 9 . 1 1 50 50 PRO CB C 47 32.152 32.152 31.980 0.172 17835 3671 1 9 . 1 1 51 51 THR N N 48 105.643 105.643 109.120 -3.477 17835 3672 1 9 . 1 1 51 51 THR HA H 48 4.129 4.129 4.361 -0.232 17835 3673 1 9 . 1 1 51 51 THR C C 48 173.270 173.270 175.007 -1.737 17835 3674 1 9 . 1 1 51 51 THR CA C 48 58.738 58.738 59.626 -0.888 17835 3675 1 9 . 1 1 51 51 THR CB C 48 73.254 73.254 71.357 1.897 17835 3676 1 9 . 1 1 51 51 THR H H 48 6.939 6.939 7.676 -0.737 17835 3677 1 9 . 1 1 52 52 LEU N N 49 121.743 121.743 122.774 -1.031 17835 3678 1 9 . 1 1 52 52 LEU HA H 49 3.325 3.325 3.817 -0.492 17835 3679 1 9 . 1 1 52 52 LEU C C 49 178.195 178.195 178.756 -0.561 17835 3680 1 9 . 1 1 52 52 LEU CA C 49 57.551 57.551 58.150 -0.599 17835 3681 1 9 . 1 1 52 52 LEU CB C 49 40.517 40.517 40.962 -0.445 17835 3682 1 9 . 1 1 52 52 LEU H H 49 7.849 7.849 8.285 -0.436 17835 3683 1 9 . 1 1 53 53 GLU N N 50 118.706 118.706 118.780 -0.074 17835 3684 1 9 . 1 1 53 53 GLU HA H 50 3.411 3.411 3.886 -0.475 17835 3685 1 9 . 1 1 53 53 GLU C C 50 176.853 176.853 178.499 -1.646 17835 3686 1 9 . 1 1 53 53 GLU CA C 50 60.720 60.720 59.375 1.345 17835 3687 1 9 . 1 1 53 53 GLU CB C 50 28.696 28.696 28.711 -0.015 17835 3688 1 9 . 1 1 53 53 GLU H H 50 8.981 8.981 8.740 0.241 17835 3689 1 9 . 1 1 54 54 ALA N N 51 119.673 119.673 122.730 -3.057 17835 3690 1 9 . 1 1 54 54 ALA HA H 51 3.885 3.885 4.029 -0.144 17835 3691 1 9 . 1 1 54 54 ALA C C 51 180.232 180.232 179.428 0.804 17835 3692 1 9 . 1 1 54 54 ALA CA C 51 55.127 55.127 55.033 0.094 17835 3693 1 9 . 1 1 54 54 ALA CB C 51 18.345 18.345 18.476 -0.131 17835 3694 1 9 . 1 1 54 54 ALA H H 51 8.001 8.001 7.603 0.398 17835 3695 1 9 . 1 1 55 55 TYR N N 52 117.474 117.474 120.258 -2.784 17835 3696 1 9 . 1 1 55 55 TYR HA H 52 2.898 2.898 3.322 -0.424 17835 3697 1 9 . 1 1 55 55 TYR C C 52 178.563 178.563 177.353 1.210 17835 3698 1 9 . 1 1 55 55 TYR CA C 52 59.876 59.876 61.265 -1.389 17835 3699 1 9 . 1 1 55 55 TYR CB C 52 37.365 37.365 38.239 -0.874 17835 3700 1 9 . 1 1 55 55 TYR H H 52 7.218 7.218 7.993 -0.775 17835 3701 1 9 . 1 1 56 56 LEU N N 53 121.106 121.106 117.766 3.340 17835 3702 1 9 . 1 1 56 56 LEU HA H 53 3.221 3.221 3.693 -0.472 17835 3703 1 9 . 1 1 56 56 LEU C C 53 179.706 179.706 179.248 0.458 17835 3704 1 9 . 1 1 56 56 LEU CA C 53 57.334 57.334 57.428 -0.094 17835 3705 1 9 . 1 1 56 56 LEU CB C 53 40.788 40.788 41.672 -0.884 17835 3706 1 9 . 1 1 56 56 LEU H H 53 8.440 8.440 7.986 0.454 17835 3707 1 9 . 1 1 57 57 ARG N N 54 116.303 116.303 120.084 -3.781 17835 3708 1 9 . 1 1 57 57 ARG HA H 54 3.722 3.722 4.004 -0.282 17835 3709 1 9 . 1 1 57 57 ARG C C 54 176.071 176.071 177.821 -1.750 17835 3710 1 9 . 1 1 57 57 ARG CA C 54 58.463 58.463 58.666 -0.203 17835 3711 1 9 . 1 1 57 57 ARG CB C 54 29.735 29.735 29.920 -0.185 17835 3712 1 9 . 1 1 57 57 ARG H H 54 7.998 7.998 8.622 -0.624 17835 3713 1 9 . 1 1 58 58 SER N N 55 115.365 115.365 112.955 2.410 17835 3714 1 9 . 1 1 58 58 SER HA H 55 4.357 4.357 4.388 -0.031 17835 3715 1 9 . 1 1 58 58 SER C C 55 173.970 173.970 173.937 0.033 17835 3716 1 9 . 1 1 58 58 SER CA C 55 59.762 59.762 60.128 -0.366 17835 3717 1 9 . 1 1 58 58 SER CB C 55 63.886 63.886 63.383 0.503 17835 3718 1 9 . 1 1 58 58 SER H H 55 7.491 7.491 7.558 -0.067 17835 3719 1 9 . 1 1 59 59 VAL N N 56 113.059 113.059 119.792 -6.733 17835 3720 1 9 . 1 1 59 59 VAL HA H 56 5.090 5.090 4.534 0.556 17835 3721 1 9 . 1 1 59 59 VAL C C 56 174.276 174.276 173.768 0.508 17835 3722 1 9 . 1 1 59 59 VAL CA C 56 58.444 58.444 58.808 -0.364 17835 3723 1 9 . 1 1 59 59 VAL CB C 56 31.559 31.559 32.803 -1.244 17835 3724 1 9 . 1 1 59 59 VAL H H 56 6.729 6.729 7.003 -0.274 17835 3725 1 9 . 1 1 60 60 PRO HA H 57 4.902 4.902 4.699 0.203 17835 3726 1 9 . 1 1 60 60 PRO C C 57 177.563 177.563 177.158 0.405 17835 3727 1 9 . 1 1 60 60 PRO CA C 57 64.541 64.541 64.609 -0.068 17835 3728 1 9 . 1 1 60 60 PRO CB C 57 31.768 31.768 31.743 0.025 17835 3729 1 9 . 1 1 61 61 ALA N N 58 120.004 120.004 119.008 0.996 17835 3730 1 9 . 1 1 61 61 ALA HA H 58 4.327 4.327 4.356 -0.029 17835 3731 1 9 . 1 1 61 61 ALA C C 58 177.191 177.191 177.911 -0.720 17835 3732 1 9 . 1 1 61 61 ALA CA C 58 52.795 52.795 53.729 -0.934 17835 3733 1 9 . 1 1 61 61 ALA CB C 58 18.427 18.427 19.330 -0.903 17835 3734 1 9 . 1 1 61 61 ALA H H 58 8.397 8.397 8.121 0.276 17835 3735 1 9 . 1 1 62 62 VAL N N 59 116.635 116.635 113.845 2.790 17835 3736 1 9 . 1 1 62 62 VAL HA H 59 4.032 4.032 4.278 -0.246 17835 3737 1 9 . 1 1 62 62 VAL C C 59 174.238 174.238 174.784 -0.546 17835 3738 1 9 . 1 1 62 62 VAL CA C 59 63.741 63.741 62.907 0.834 17835 3739 1 9 . 1 1 62 62 VAL CB C 59 34.115 34.115 34.670 -0.555 17835 3740 1 9 . 1 1 62 62 VAL H H 59 8.080 8.080 7.595 0.485 17835 3741 1 9 . 1 1 63 63 VAL N N 60 117.153 117.153 118.390 -1.237 17835 3742 1 9 . 1 1 63 63 VAL HA H 60 4.911 4.911 4.662 0.249 17835 3743 1 9 . 1 1 63 63 VAL C C 60 172.258 172.258 173.687 -1.429 17835 3744 1 9 . 1 1 63 63 VAL CA C 60 59.006 59.006 60.683 -1.677 17835 3745 1 9 . 1 1 63 63 VAL CB C 60 35.461 35.461 36.434 -0.973 17835 3746 1 9 . 1 1 63 63 VAL H H 60 7.791 7.791 8.059 -0.268 17835 3747 1 9 . 1 1 64 64 ARG N N 61 129.658 129.658 121.438 8.220 17835 3748 1 9 . 1 1 64 64 ARG HA H 61 4.727 4.727 4.707 0.020 17835 3749 1 9 . 1 1 64 64 ARG C C 61 174.437 174.437 173.643 0.794 17835 3750 1 9 . 1 1 64 64 ARG CA C 61 54.117 54.117 55.404 -1.287 17835 3751 1 9 . 1 1 64 64 ARG CB C 61 32.754 32.754 34.273 -1.519 17835 3752 1 9 . 1 1 64 64 ARG H H 61 9.208 9.208 9.004 0.204 17835 3753 1 9 . 1 1 65 65 ILE N N 62 125.775 125.775 117.867 7.908 17835 3754 1 9 . 1 1 65 65 ILE HA H 62 4.917 4.917 5.389 -0.472 17835 3755 1 9 . 1 1 65 65 ILE C C 62 175.842 175.842 174.724 1.118 17835 3756 1 9 . 1 1 65 65 ILE CA C 62 59.545 59.545 59.704 -0.159 17835 3757 1 9 . 1 1 65 65 ILE CB C 62 39.645 39.645 42.339 -2.693 17835 3758 1 9 . 1 1 65 65 ILE H H 62 8.736 8.736 8.324 0.412 17835 3759 1 9 . 1 1 66 66 GLU N N 63 127.114 127.114 122.821 4.293 17835 3760 1 9 . 1 1 66 66 GLU HA H 63 4.677 4.677 4.734 -0.057 17835 3761 1 9 . 1 1 66 66 GLU C C 63 174.409 174.409 175.315 -0.906 17835 3762 1 9 . 1 1 66 66 GLU CA C 63 54.791 54.791 54.891 -0.100 17835 3763 1 9 . 1 1 66 66 GLU CB C 63 33.078 33.078 31.692 1.387 17835 3764 1 9 . 1 1 66 66 GLU H H 63 9.197 9.197 9.149 0.048 17835 3765 1 9 . 1 1 67 67 ALA N N 64 127.913 127.913 129.678 -1.765 17835 3766 1 9 . 1 1 67 67 ALA HA H 64 5.026 5.026 4.616 0.410 17835 3767 1 9 . 1 1 67 67 ALA C C 64 177.717 177.717 177.184 0.533 17835 3768 1 9 . 1 1 67 67 ALA CA C 64 51.070 51.070 51.762 -0.692 17835 3769 1 9 . 1 1 67 67 ALA CB C 64 19.550 19.550 19.062 0.488 17835 3770 1 9 . 1 1 67 67 ALA H H 64 8.779 8.779 8.576 0.203 17835 3771 1 9 . 1 1 68 68 SER N N 65 119.364 119.364 119.654 -0.290 17835 3772 1 9 . 1 1 68 68 SER HA H 65 4.665 4.665 4.541 0.124 17835 3773 1 9 . 1 1 68 68 SER C C 65 176.518 176.518 176.631 -0.113 17835 3774 1 9 . 1 1 68 68 SER CA C 65 57.096 57.096 57.149 -0.053 17835 3775 1 9 . 1 1 68 68 SER CB C 65 65.234 65.234 64.244 0.990 17835 3776 1 9 . 1 1 68 68 SER H H 65 8.951 8.951 8.680 0.271 17835 3777 1 9 . 1 1 69 69 ARG N N 66 123.143 123.143 125.252 -2.109 17835 3778 1 9 . 1 1 69 69 ARG HA H 66 4.153 4.153 4.206 -0.053 17835 3779 1 9 . 1 1 69 69 ARG C C 66 177.356 177.356 176.787 0.569 17835 3780 1 9 . 1 1 69 69 ARG CA C 66 58.973 58.973 58.192 0.781 17835 3781 1 9 . 1 1 69 69 ARG CB C 66 29.659 29.659 29.300 0.359 17835 3782 1 9 . 1 1 69 69 ARG H H 66 9.075 9.075 8.918 0.157 17835 3783 1 9 . 1 1 70 70 SER N N 67 112.081 112.081 115.393 -3.312 17835 3784 1 9 . 1 1 70 70 SER HA H 67 4.416 4.416 4.386 0.030 17835 3785 1 9 . 1 1 70 70 SER C C 67 175.146 175.146 175.603 -0.457 17835 3786 1 9 . 1 1 70 70 SER CA C 67 58.413 58.413 58.614 -0.201 17835 3787 1 9 . 1 1 70 70 SER CB C 67 63.477 63.477 63.630 -0.153 17835 3788 1 9 . 1 1 70 70 SER H H 67 8.083 8.083 7.826 0.257 17835 3789 1 9 . 1 1 71 71 GLY N N 68 110.519 110.519 108.694 1.825 17835 3790 1 9 . 1 1 71 71 GLY C C 68 174.116 174.116 174.251 -0.135 17835 3791 1 9 . 1 1 71 71 GLY CA C 68 45.114 45.114 45.204 -0.090 17835 3792 1 9 . 1 1 71 71 GLY H H 68 7.974 7.974 7.875 0.100 17835 3793 1 9 . 1 1 72 72 GLU N N 69 120.663 120.663 121.316 -0.653 17835 3794 1 9 . 1 1 72 72 GLU HA H 69 4.289 4.289 4.493 -0.204 17835 3795 1 9 . 1 1 72 72 GLU C C 69 175.352 175.352 175.539 -0.187 17835 3796 1 9 . 1 1 72 72 GLU CA C 69 56.082 56.082 55.457 0.625 17835 3797 1 9 . 1 1 72 72 GLU CB C 69 30.517 30.517 30.753 -0.235 17835 3798 1 9 . 1 1 72 72 GLU H H 69 7.630 7.630 8.156 -0.526 17835 3799 1 9 . 1 1 73 73 ILE N N 70 125.775 125.775 121.041 4.734 17835 3800 1 9 . 1 1 73 73 ILE HA H 70 4.367 4.367 4.891 -0.524 17835 3801 1 9 . 1 1 73 73 ILE C C 70 174.613 174.613 173.935 0.678 17835 3802 1 9 . 1 1 73 73 ILE CA C 70 60.876 60.876 59.450 1.425 17835 3803 1 9 . 1 1 73 73 ILE CB C 70 37.465 37.465 41.268 -3.803 17835 3804 1 9 . 1 1 73 73 ILE H H 70 8.753 8.753 8.292 0.461 17835 3805 1 9 . 1 1 74 74 VAL N N 71 128.300 128.300 128.086 0.214 17835 3806 1 9 . 1 1 74 74 VAL HA H 71 4.153 4.153 4.358 -0.205 17835 3807 1 9 . 1 1 74 74 VAL C C 71 173.544 173.544 174.665 -1.121 17835 3808 1 9 . 1 1 74 74 VAL CA C 71 61.736 61.736 60.653 1.083 17835 3809 1 9 . 1 1 74 74 VAL CB C 71 33.763 33.763 33.844 -0.081 17835 3810 1 9 . 1 1 74 74 VAL H H 71 8.724 8.724 8.751 -0.027 17835 3811 1 9 . 1 1 75 75 CYS N N 72 122.823 122.823 125.196 -2.373 17835 3812 1 9 . 1 1 75 75 CYS HA H 72 4.948 4.948 5.044 -0.096 17835 3813 1 9 . 1 1 75 75 CYS C C 72 173.200 173.200 173.873 -0.673 17835 3814 1 9 . 1 1 75 75 CYS CA C 72 57.176 57.176 57.945 -0.769 17835 3815 1 9 . 1 1 75 75 CYS CB C 72 29.712 29.712 29.254 0.458 17835 3816 1 9 . 1 1 75 75 CYS H H 72 8.200 8.200 8.762 -0.562 17835 3817 1 9 . 1 1 76 76 TYR N N 73 119.584 119.584 119.364 0.220 17835 3818 1 9 . 1 1 76 76 TYR HA H 73 5.013 5.013 4.769 0.244 17835 3819 1 9 . 1 1 76 76 TYR C C 73 175.779 175.779 174.954 0.825 17835 3820 1 9 . 1 1 76 76 TYR CA C 73 56.289 56.289 57.112 -0.823 17835 3821 1 9 . 1 1 76 76 TYR CB C 73 42.505 42.505 43.123 -0.619 17835 3822 1 9 . 1 1 76 76 TYR H H 73 9.265 9.265 9.306 -0.041 17835 3823 1 9 . 1 1 77 77 ALA N N 74 122.844 122.844 122.063 0.781 17835 3824 1 9 . 1 1 77 77 ALA HA H 74 4.423 4.423 4.634 -0.211 17835 3825 1 9 . 1 1 77 77 ALA C C 74 177.907 177.907 175.734 2.173 17835 3826 1 9 . 1 1 77 77 ALA CA C 74 52.151 52.151 51.432 0.719 17835 3827 1 9 . 1 1 77 77 ALA CB C 74 18.915 18.915 20.866 -1.951 17835 3828 1 9 . 1 1 77 77 ALA H H 74 9.145 9.145 8.969 0.176 17835 3829 1 9 . 1 1 78 78 VAL N N 75 123.434 123.434 117.413 6.021 17835 3830 1 9 . 1 1 78 78 VAL HA H 75 3.826 3.826 4.222 -0.396 17835 3831 1 9 . 1 1 78 78 VAL C C 75 174.995 174.995 175.507 -0.512 17835 3832 1 9 . 1 1 78 78 VAL CA C 75 63.379 63.379 61.891 1.488 17835 3833 1 9 . 1 1 78 78 VAL CB C 75 32.715 32.715 34.117 -1.402 17835 3834 1 9 . 1 1 78 78 VAL H H 75 7.894 7.894 8.519 -0.625 17835 3835 1 10 . 1 1 5 5 LEU N N 2 124.907 124.907 122.232 2.675 17835 3836 1 10 . 1 1 5 5 LEU HA H 2 4.299 4.299 4.417 -0.118 17835 3837 1 10 . 1 1 5 5 LEU C C 2 177.892 177.892 178.159 -0.267 17835 3838 1 10 . 1 1 5 5 LEU CA C 2 55.749 55.749 54.505 1.244 17835 3839 1 10 . 1 1 5 5 LEU CB C 2 42.001 42.001 42.527 -0.526 17835 3840 1 10 . 1 1 5 5 LEU H H 2 8.636 8.636 8.522 0.114 17835 3841 1 10 . 1 1 6 6 GLU N N 3 122.649 122.649 122.187 0.462 17835 3842 1 10 . 1 1 6 6 GLU HA H 3 4.172 4.172 3.962 0.210 17835 3843 1 10 . 1 1 6 6 GLU C C 3 177.481 177.481 178.542 -1.061 17835 3844 1 10 . 1 1 6 6 GLU CA C 3 58.106 58.106 60.067 -1.961 17835 3845 1 10 . 1 1 6 6 GLU CB C 3 28.874 28.874 29.746 -0.872 17835 3846 1 10 . 1 1 6 6 GLU H H 3 8.594 8.594 8.978 -0.384 17835 3847 1 10 . 1 1 7 7 ALA N N 4 121.929 121.929 121.285 0.644 17835 3848 1 10 . 1 1 7 7 ALA HA H 4 3.944 3.944 4.202 -0.258 17835 3849 1 10 . 1 1 7 7 ALA C C 4 180.419 180.419 179.365 1.054 17835 3850 1 10 . 1 1 7 7 ALA CA C 4 55.686 55.686 55.088 0.598 17835 3851 1 10 . 1 1 7 7 ALA CB C 4 18.587 18.587 18.023 0.564 17835 3852 1 10 . 1 1 7 7 ALA H H 4 8.744 8.744 8.415 0.329 17835 3853 1 10 . 1 1 8 8 ASP N N 5 117.514 117.514 119.577 -2.063 17835 3854 1 10 . 1 1 8 8 ASP HA H 5 4.482 4.482 4.543 -0.061 17835 3855 1 10 . 1 1 8 8 ASP C C 5 178.010 178.010 178.232 -0.222 17835 3856 1 10 . 1 1 8 8 ASP CA C 5 56.603 56.603 56.778 -0.174 17835 3857 1 10 . 1 1 8 8 ASP CB C 5 40.353 40.353 40.752 -0.399 17835 3858 1 10 . 1 1 8 8 ASP H H 5 8.071 8.071 8.287 -0.216 17835 3859 1 10 . 1 1 9 9 LEU N N 6 122.640 122.640 121.561 1.079 17835 3860 1 10 . 1 1 9 9 LEU HA H 6 4.165 4.165 4.104 0.061 17835 3861 1 10 . 1 1 9 9 LEU C C 6 178.699 178.699 178.660 0.039 17835 3862 1 10 . 1 1 9 9 LEU CA C 6 57.986 57.986 58.324 -0.338 17835 3863 1 10 . 1 1 9 9 LEU CB C 6 41.675 41.675 42.178 -0.503 17835 3864 1 10 . 1 1 9 9 LEU H H 6 7.713 7.713 8.386 -0.673 17835 3865 1 10 . 1 1 10 10 VAL N N 7 119.303 119.303 115.862 3.441 17835 3866 1 10 . 1 1 10 10 VAL HA H 7 4.025 4.025 3.873 0.152 17835 3867 1 10 . 1 1 10 10 VAL C C 7 178.570 178.570 178.217 0.353 17835 3868 1 10 . 1 1 10 10 VAL CA C 7 65.683 65.683 66.450 -0.767 17835 3869 1 10 . 1 1 10 10 VAL CB C 7 31.841 31.841 30.648 1.194 17835 3870 1 10 . 1 1 10 10 VAL H H 7 8.115 8.115 8.292 -0.177 17835 3871 1 10 . 1 1 11 11 SER N N 8 113.146 113.146 118.647 -5.501 17835 3872 1 10 . 1 1 11 11 SER HA H 8 4.042 4.042 4.247 -0.205 17835 3873 1 10 . 1 1 11 11 SER C C 8 176.364 176.364 176.792 -0.428 17835 3874 1 10 . 1 1 11 11 SER CA C 8 62.600 62.600 62.933 -0.333 17835 3875 1 10 . 1 1 11 11 SER CB C 8 61.596 61.596 63.022 -1.426 17835 3876 1 10 . 1 1 11 11 SER H H 8 7.796 7.796 8.127 -0.331 17835 3877 1 10 . 1 1 12 12 LYS N N 9 121.690 121.690 121.754 -0.064 17835 3878 1 10 . 1 1 12 12 LYS HA H 9 4.044 4.044 4.007 0.037 17835 3879 1 10 . 1 1 12 12 LYS C C 9 180.048 180.048 178.862 1.186 17835 3880 1 10 . 1 1 12 12 LYS CA C 9 60.002 60.002 59.679 0.323 17835 3881 1 10 . 1 1 12 12 LYS CB C 9 32.839 32.839 32.408 0.431 17835 3882 1 10 . 1 1 12 12 LYS H H 9 7.754 7.754 8.344 -0.590 17835 3883 1 10 . 1 1 13 13 MET N N 10 119.794 119.794 118.904 0.890 17835 3884 1 10 . 1 1 13 13 MET HA H 10 4.420 4.420 4.146 0.274 17835 3885 1 10 . 1 1 13 13 MET C C 10 178.151 178.151 178.275 -0.124 17835 3886 1 10 . 1 1 13 13 MET CA C 10 57.095 57.095 59.113 -2.018 17835 3887 1 10 . 1 1 13 13 MET CB C 10 31.599 31.599 32.693 -1.094 17835 3888 1 10 . 1 1 13 13 MET H H 10 8.451 8.451 8.411 0.040 17835 3889 1 10 . 1 1 14 14 LEU N N 11 122.035 122.035 122.278 -0.243 17835 3890 1 10 . 1 1 14 14 LEU HA H 11 4.207 4.207 4.127 0.080 17835 3891 1 10 . 1 1 14 14 LEU C C 11 178.526 178.526 177.974 0.552 17835 3892 1 10 . 1 1 14 14 LEU CA C 11 58.178 58.178 59.132 -0.954 17835 3893 1 10 . 1 1 14 14 LEU CB C 11 42.148 42.148 41.779 0.369 17835 3894 1 10 . 1 1 14 14 LEU H H 11 9.301 9.301 8.708 0.593 17835 3895 1 10 . 1 1 15 15 ARG N N 12 118.150 118.150 119.366 -1.216 17835 3896 1 10 . 1 1 15 15 ARG HA H 12 3.839 3.839 3.868 -0.029 17835 3897 1 10 . 1 1 15 15 ARG C C 12 177.951 177.951 178.372 -0.421 17835 3898 1 10 . 1 1 15 15 ARG CA C 12 60.500 60.500 59.300 1.200 17835 3899 1 10 . 1 1 15 15 ARG CB C 12 29.966 29.966 29.789 0.177 17835 3900 1 10 . 1 1 15 15 ARG H H 12 8.248 8.248 8.516 -0.268 17835 3901 1 10 . 1 1 16 16 ALA N N 13 120.291 120.291 121.819 -1.528 17835 3902 1 10 . 1 1 16 16 ALA HA H 13 4.150 4.150 4.041 0.109 17835 3903 1 10 . 1 1 16 16 ALA C C 13 181.072 181.072 179.606 1.466 17835 3904 1 10 . 1 1 16 16 ALA CA C 13 55.371 55.371 55.028 0.343 17835 3905 1 10 . 1 1 16 16 ALA CB C 13 17.845 17.845 18.438 -0.593 17835 3906 1 10 . 1 1 16 16 ALA H H 13 7.587 7.587 8.177 -0.590 17835 3907 1 10 . 1 1 17 17 VAL N N 14 119.183 119.183 119.572 -0.389 17835 3908 1 10 . 1 1 17 17 VAL HA H 14 3.858 3.858 3.352 0.506 17835 3909 1 10 . 1 1 17 17 VAL C C 14 178.531 178.531 177.906 0.625 17835 3910 1 10 . 1 1 17 17 VAL CA C 14 65.552 65.552 67.455 -1.903 17835 3911 1 10 . 1 1 17 17 VAL CB C 14 32.190 32.190 31.492 0.698 17835 3912 1 10 . 1 1 17 17 VAL H H 14 8.324 8.324 8.080 0.244 17835 3913 1 10 . 1 1 18 18 LEU N N 15 120.498 120.498 118.962 1.536 17835 3914 1 10 . 1 1 18 18 LEU HA H 15 3.985 3.985 3.941 0.044 17835 3915 1 10 . 1 1 18 18 LEU C C 15 179.935 179.935 179.124 0.811 17835 3916 1 10 . 1 1 18 18 LEU CA C 15 58.474 58.474 57.659 0.815 17835 3917 1 10 . 1 1 18 18 LEU CB C 15 41.885 41.885 41.317 0.568 17835 3918 1 10 . 1 1 18 18 LEU H H 15 8.388 8.388 8.003 0.385 17835 3919 1 10 . 1 1 19 19 GLN N N 16 117.835 117.835 117.297 0.538 17835 3920 1 10 . 1 1 19 19 GLN HA H 16 3.981 3.981 4.064 -0.083 17835 3921 1 10 . 1 1 19 19 GLN C C 16 177.304 177.304 179.162 -1.858 17835 3922 1 10 . 1 1 19 19 GLN CA C 16 58.668 58.668 58.461 0.207 17835 3923 1 10 . 1 1 19 19 GLN CB C 16 28.274 28.274 28.335 -0.061 17835 3924 1 10 . 1 1 19 19 GLN H H 16 8.689 8.689 8.318 0.371 17835 3925 1 10 . 1 1 20 20 SER N N 17 111.043 111.043 117.094 -6.051 17835 3926 1 10 . 1 1 20 20 SER HA H 17 4.386 4.386 4.339 0.047 17835 3927 1 10 . 1 1 20 20 SER C C 17 173.630 173.630 176.506 -2.876 17835 3928 1 10 . 1 1 20 20 SER CA C 17 59.252 59.252 61.270 -2.018 17835 3929 1 10 . 1 1 20 20 SER CB C 17 63.600 63.600 63.649 -0.049 17835 3930 1 10 . 1 1 20 20 SER H H 17 7.461 7.461 8.026 -0.565 17835 3931 1 10 . 1 1 21 21 HIS N N 18 121.324 121.324 120.191 1.133 17835 3932 1 10 . 1 1 21 21 HIS HA H 18 4.824 4.824 4.764 0.060 17835 3933 1 10 . 1 1 21 21 HIS C C 18 174.835 174.835 175.391 -0.556 17835 3934 1 10 . 1 1 21 21 HIS CA C 18 54.386 54.386 52.913 1.473 17835 3935 1 10 . 1 1 21 21 HIS CB C 18 28.657 28.657 27.110 1.547 17835 3936 1 10 . 1 1 21 21 HIS H H 18 7.692 7.692 8.327 -0.635 17835 3937 1 10 . 1 1 22 22 LYS N N 19 123.925 123.925 121.069 2.856 17835 3938 1 10 . 1 1 22 22 LYS HA H 19 4.161 4.161 4.149 0.012 17835 3939 1 10 . 1 1 22 22 LYS C C 19 177.562 177.562 177.371 0.191 17835 3940 1 10 . 1 1 22 22 LYS CA C 19 59.316 59.316 58.244 1.072 17835 3941 1 10 . 1 1 22 22 LYS CB C 19 32.202 32.202 31.891 0.311 17835 3942 1 10 . 1 1 22 22 LYS H H 19 8.809 8.809 7.686 1.123 17835 3943 1 10 . 1 1 23 23 ASN N N 20 115.473 115.473 116.216 -0.743 17835 3944 1 10 . 1 1 23 23 ASN HA H 20 5.073 5.073 4.677 0.396 17835 3945 1 10 . 1 1 23 23 ASN C C 20 174.783 174.783 175.934 -1.151 17835 3946 1 10 . 1 1 23 23 ASN CA C 20 52.835 52.835 53.538 -0.703 17835 3947 1 10 . 1 1 23 23 ASN CB C 20 38.540 38.540 38.973 -0.433 17835 3948 1 10 . 1 1 23 23 ASN H H 20 8.784 8.784 8.122 0.662 17835 3949 1 10 . 1 1 24 24 GLY N N 21 107.402 107.402 108.468 -1.066 17835 3950 1 10 . 1 1 24 24 GLY C C 21 172.572 172.572 172.834 -0.262 17835 3951 1 10 . 1 1 24 24 GLY CA C 21 44.739 44.739 44.473 0.266 17835 3952 1 10 . 1 1 24 24 GLY H H 21 7.743 7.743 7.906 -0.163 17835 3953 1 10 . 1 1 25 25 ILE N N 22 117.796 117.796 115.749 2.047 17835 3954 1 10 . 1 1 25 25 ILE HA H 22 4.272 4.272 4.642 -0.370 17835 3955 1 10 . 1 1 25 25 ILE C C 22 175.452 175.452 175.168 0.284 17835 3956 1 10 . 1 1 25 25 ILE CA C 22 59.468 59.468 59.254 0.214 17835 3957 1 10 . 1 1 25 25 ILE CB C 22 41.833 41.833 40.720 1.113 17835 3958 1 10 . 1 1 25 25 ILE H H 22 8.509 8.509 7.899 0.610 17835 3959 1 10 . 1 1 26 26 VAL N N 23 124.597 124.597 122.698 1.899 17835 3960 1 10 . 1 1 26 26 VAL HA H 23 4.585 4.585 4.420 0.165 17835 3961 1 10 . 1 1 26 26 VAL C C 23 177.566 177.566 177.456 0.110 17835 3962 1 10 . 1 1 26 26 VAL CA C 23 62.227 62.227 61.999 0.228 17835 3963 1 10 . 1 1 26 26 VAL CB C 23 31.945 31.945 32.198 -0.253 17835 3964 1 10 . 1 1 26 26 VAL H H 23 8.524 8.524 8.411 0.113 17835 3965 1 10 . 1 1 27 27 LEU N N 24 124.858 124.858 121.029 3.829 17835 3966 1 10 . 1 1 27 27 LEU HA H 24 4.011 4.011 4.370 -0.359 17835 3967 1 10 . 1 1 27 27 LEU C C 24 175.569 175.569 176.655 -1.086 17835 3968 1 10 . 1 1 27 27 LEU CA C 24 60.394 60.394 58.677 1.717 17835 3969 1 10 . 1 1 27 27 LEU CB C 24 39.402 39.402 39.117 0.285 17835 3970 1 10 . 1 1 27 27 LEU H H 24 8.816 8.816 8.344 0.472 17835 3971 1 10 . 1 1 28 28 PRO HA H 25 4.401 4.401 4.290 0.111 17835 3972 1 10 . 1 1 28 28 PRO C C 25 177.600 177.600 179.006 -1.406 17835 3973 1 10 . 1 1 28 28 PRO CA C 25 65.549 65.549 65.505 0.044 17835 3974 1 10 . 1 1 28 28 PRO CB C 25 31.458 31.458 30.946 0.512 17835 3975 1 10 . 1 1 29 29 ARG N N 26 115.136 115.136 119.265 -4.129 17835 3976 1 10 . 1 1 29 29 ARG HA H 26 4.511 4.511 4.121 0.390 17835 3977 1 10 . 1 1 29 29 ARG C C 26 177.152 177.152 178.158 -1.006 17835 3978 1 10 . 1 1 29 29 ARG CA C 26 55.853 55.853 59.151 -3.298 17835 3979 1 10 . 1 1 29 29 ARG CB C 26 30.981 30.981 29.972 1.009 17835 3980 1 10 . 1 1 29 29 ARG H H 26 7.869 7.869 7.795 0.074 17835 3981 1 10 . 1 1 30 30 LEU N N 27 122.984 122.984 121.846 1.138 17835 3982 1 10 . 1 1 30 30 LEU HA H 27 3.842 3.842 3.963 -0.121 17835 3983 1 10 . 1 1 30 30 LEU C C 27 177.872 177.872 178.450 -0.578 17835 3984 1 10 . 1 1 30 30 LEU CA C 27 59.458 59.458 58.639 0.819 17835 3985 1 10 . 1 1 30 30 LEU CB C 27 42.326 42.326 41.293 1.033 17835 3986 1 10 . 1 1 30 30 LEU H H 27 7.870 7.870 8.632 -0.762 17835 3987 1 10 . 1 1 31 31 GLN N N 28 117.382 117.382 117.642 -0.260 17835 3988 1 10 . 1 1 31 31 GLN HA H 28 4.689 4.689 4.016 0.673 17835 3989 1 10 . 1 1 31 31 GLN C C 28 178.888 178.888 179.072 -0.184 17835 3990 1 10 . 1 1 31 31 GLN CA C 28 60.243 60.243 59.648 0.595 17835 3991 1 10 . 1 1 31 31 GLN CB C 28 27.811 27.811 28.367 -0.556 17835 3992 1 10 . 1 1 31 31 GLN H H 28 9.217 9.217 7.811 1.406 17835 3993 1 10 . 1 1 32 32 GLY N N 29 105.066 105.066 107.734 -2.668 17835 3994 1 10 . 1 1 32 32 GLY C C 29 177.579 177.579 176.588 0.991 17835 3995 1 10 . 1 1 32 32 GLY CA C 29 47.254 47.254 47.269 -0.015 17835 3996 1 10 . 1 1 32 32 GLY H H 29 8.680 8.680 8.196 0.484 17835 3997 1 10 . 1 1 33 33 GLU N N 30 121.593 121.593 123.133 -1.540 17835 3998 1 10 . 1 1 33 33 GLU HA H 30 4.274 4.274 4.207 0.067 17835 3999 1 10 . 1 1 33 33 GLU C C 30 179.316 179.316 178.896 0.420 17835 4000 1 10 . 1 1 33 33 GLU CA C 30 59.068 59.068 58.474 0.594 17835 4001 1 10 . 1 1 33 33 GLU CB C 30 29.077 29.077 29.351 -0.274 17835 4002 1 10 . 1 1 33 33 GLU H H 30 8.063 8.063 8.280 -0.217 17835 4003 1 10 . 1 1 34 34 TYR N N 31 123.143 123.143 121.983 1.160 17835 4004 1 10 . 1 1 34 34 TYR HA H 31 4.083 4.083 4.048 0.035 17835 4005 1 10 . 1 1 34 34 TYR C C 31 178.379 178.379 177.225 1.154 17835 4006 1 10 . 1 1 34 34 TYR CA C 31 62.406 62.406 61.780 0.626 17835 4007 1 10 . 1 1 34 34 TYR CB C 31 39.405 39.405 38.416 0.989 17835 4008 1 10 . 1 1 34 34 TYR H H 31 9.063 9.063 8.828 0.235 17835 4009 1 10 . 1 1 35 35 ARG N N 32 123.458 123.458 119.701 3.757 17835 4010 1 10 . 1 1 35 35 ARG HA H 32 4.281 4.281 3.894 0.387 17835 4011 1 10 . 1 1 35 35 ARG C C 32 180.186 180.186 178.969 1.217 17835 4012 1 10 . 1 1 35 35 ARG CA C 32 58.908 58.908 59.147 -0.239 17835 4013 1 10 . 1 1 35 35 ARG CB C 32 29.708 29.708 29.950 -0.242 17835 4014 1 10 . 1 1 35 35 ARG H H 32 9.321 9.321 8.536 0.785 17835 4015 1 10 . 1 1 36 36 SER N N 33 116.071 116.071 115.740 0.331 17835 4016 1 10 . 1 1 36 36 SER HA H 33 4.048 4.048 4.075 -0.027 17835 4017 1 10 . 1 1 36 36 SER C C 33 175.063 175.063 175.717 -0.654 17835 4018 1 10 . 1 1 36 36 SER CA C 33 61.856 61.856 61.043 0.813 17835 4019 1 10 . 1 1 36 36 SER CB C 33 62.779 62.779 63.018 -0.239 17835 4020 1 10 . 1 1 36 36 SER H H 33 8.078 8.078 7.958 0.120 17835 4021 1 10 . 1 1 37 37 LEU N N 34 118.571 118.571 122.166 -3.595 17835 4022 1 10 . 1 1 37 37 LEU HA H 34 4.342 4.342 4.205 0.137 17835 4023 1 10 . 1 1 37 37 LEU C C 34 178.400 178.400 178.263 0.137 17835 4024 1 10 . 1 1 37 37 LEU CA C 34 57.073 57.073 57.054 0.019 17835 4025 1 10 . 1 1 37 37 LEU CB C 34 43.132 43.132 42.477 0.654 17835 4026 1 10 . 1 1 37 37 LEU H H 34 7.167 7.167 7.498 -0.331 17835 4027 1 10 . 1 1 38 38 THR N N 35 106.425 106.425 108.533 -2.108 17835 4028 1 10 . 1 1 38 38 THR HA H 35 4.163 4.163 4.093 0.070 17835 4029 1 10 . 1 1 38 38 THR C C 35 176.259 176.259 175.901 0.358 17835 4030 1 10 . 1 1 38 38 THR CA C 35 62.637 62.637 62.444 0.193 17835 4031 1 10 . 1 1 38 38 THR CB C 35 71.659 71.659 69.634 2.025 17835 4032 1 10 . 1 1 38 38 THR H H 35 8.168 8.168 7.886 0.282 17835 4033 1 10 . 1 1 39 39 GLY N N 36 112.162 112.162 111.402 0.760 17835 4034 1 10 . 1 1 39 39 GLY C C 36 172.464 172.464 172.826 -0.362 17835 4035 1 10 . 1 1 39 39 GLY CA C 36 45.225 45.225 45.153 0.072 17835 4036 1 10 . 1 1 39 39 GLY H H 36 8.759 8.759 8.082 0.677 17835 4037 1 10 . 1 1 40 40 ASP N N 37 121.106 121.106 118.628 2.478 17835 4038 1 10 . 1 1 40 40 ASP HA H 37 4.733 4.733 4.802 -0.069 17835 4039 1 10 . 1 1 40 40 ASP C C 37 173.861 173.861 174.231 -0.370 17835 4040 1 10 . 1 1 40 40 ASP CA C 37 52.159 52.159 52.029 0.130 17835 4041 1 10 . 1 1 40 40 ASP CB C 37 44.573 44.573 43.717 0.856 17835 4042 1 10 . 1 1 40 40 ASP H H 37 8.414 8.414 7.501 0.913 17835 4043 1 10 . 1 1 41 41 TRP N N 38 115.206 115.206 119.064 -3.858 17835 4044 1 10 . 1 1 41 41 TRP HA H 38 5.107 5.107 5.022 0.085 17835 4045 1 10 . 1 1 41 41 TRP C C 38 177.125 177.125 177.737 -0.612 17835 4046 1 10 . 1 1 41 41 TRP CA C 38 54.889 54.889 56.276 -1.387 17835 4047 1 10 . 1 1 41 41 TRP CB C 38 31.592 31.592 31.091 0.501 17835 4048 1 10 . 1 1 41 41 TRP H H 38 8.016 8.016 8.373 -0.357 17835 4049 1 10 . 1 1 42 42 ILE N N 39 123.723 123.723 123.034 0.689 17835 4050 1 10 . 1 1 42 42 ILE HA H 39 3.512 3.512 3.550 -0.038 17835 4051 1 10 . 1 1 42 42 ILE C C 39 177.199 177.199 175.721 1.478 17835 4052 1 10 . 1 1 42 42 ILE CA C 39 60.467 60.467 60.346 0.121 17835 4053 1 10 . 1 1 42 42 ILE CB C 39 38.133 38.133 36.704 1.429 17835 4054 1 10 . 1 1 42 42 ILE H H 39 10.079 10.079 9.269 0.810 17835 4055 1 10 . 1 1 43 43 PRO HA H 40 4.600 4.600 4.927 -0.327 17835 4056 1 10 . 1 1 43 43 PRO C C 40 174.997 174.997 177.357 -2.360 17835 4057 1 10 . 1 1 43 43 PRO CA C 40 62.511 62.511 62.308 0.203 17835 4058 1 10 . 1 1 43 43 PRO CB C 40 27.857 27.857 29.806 -1.949 17835 4059 1 10 . 1 1 44 44 PHE N N 41 118.808 118.808 119.531 -0.723 17835 4060 1 10 . 1 1 44 44 PHE HA H 41 3.737 3.737 4.204 -0.467 17835 4061 1 10 . 1 1 44 44 PHE C C 41 175.891 175.891 176.923 -1.032 17835 4062 1 10 . 1 1 44 44 PHE CA C 41 60.911 60.911 62.347 -1.436 17835 4063 1 10 . 1 1 44 44 PHE CB C 41 38.412 38.412 37.442 0.970 17835 4064 1 10 . 1 1 44 44 PHE H H 41 7.647 7.647 7.787 -0.140 17835 4065 1 10 . 1 1 45 45 LYS N N 42 123.543 123.543 118.849 4.694 17835 4066 1 10 . 1 1 45 45 LYS HA H 42 4.763 4.763 4.263 0.500 17835 4067 1 10 . 1 1 45 45 LYS C C 42 181.828 181.828 178.645 3.183 17835 4068 1 10 . 1 1 45 45 LYS CA C 42 58.959 58.959 57.171 1.788 17835 4069 1 10 . 1 1 45 45 LYS CB C 42 31.599 31.599 31.209 0.390 17835 4070 1 10 . 1 1 45 45 LYS H H 42 7.387 7.387 7.304 0.083 17835 4071 1 10 . 1 1 46 46 GLN N N 43 123.171 123.171 118.662 4.509 17835 4072 1 10 . 1 1 46 46 GLN HA H 43 3.896 3.896 4.027 -0.131 17835 4073 1 10 . 1 1 46 46 GLN C C 43 178.167 178.167 177.907 0.260 17835 4074 1 10 . 1 1 46 46 GLN CA C 43 59.066 59.066 58.583 0.483 17835 4075 1 10 . 1 1 46 46 GLN CB C 43 27.702 27.702 28.373 -0.671 17835 4076 1 10 . 1 1 46 46 GLN H H 43 8.567 8.567 7.748 0.819 17835 4077 1 10 . 1 1 47 47 LEU N N 44 116.472 116.472 118.391 -1.919 17835 4078 1 10 . 1 1 47 47 LEU HA H 44 4.255 4.255 4.189 0.066 17835 4079 1 10 . 1 1 47 47 LEU C C 44 176.103 176.103 178.081 -1.978 17835 4080 1 10 . 1 1 47 47 LEU CA C 44 55.308 55.308 56.166 -0.858 17835 4081 1 10 . 1 1 47 47 LEU CB C 44 41.374 41.374 42.835 -1.461 17835 4082 1 10 . 1 1 47 47 LEU H H 44 7.544 7.544 8.351 -0.807 17835 4083 1 10 . 1 1 48 48 GLY N N 45 104.932 104.932 105.096 -0.164 17835 4084 1 10 . 1 1 48 48 GLY C C 45 173.844 173.844 174.499 -0.655 17835 4085 1 10 . 1 1 48 48 GLY CA C 45 44.826 44.826 44.372 0.454 17835 4086 1 10 . 1 1 48 48 GLY H H 45 7.741 7.741 7.732 0.009 17835 4087 1 10 . 1 1 49 49 TYR N N 46 119.946 119.946 120.943 -0.997 17835 4088 1 10 . 1 1 49 49 TYR HA H 46 4.839 4.839 4.765 0.074 17835 4089 1 10 . 1 1 49 49 TYR C C 46 174.575 174.575 175.248 -0.673 17835 4090 1 10 . 1 1 49 49 TYR CA C 46 56.349 56.349 56.333 0.016 17835 4091 1 10 . 1 1 49 49 TYR CB C 46 41.464 41.464 38.198 3.266 17835 4092 1 10 . 1 1 49 49 TYR H H 46 8.332 8.332 8.169 0.163 17835 4093 1 10 . 1 1 50 50 PRO HA H 47 4.556 4.556 4.453 0.103 17835 4094 1 10 . 1 1 50 50 PRO C C 47 177.125 177.125 176.816 0.309 17835 4095 1 10 . 1 1 50 50 PRO CA C 47 64.115 64.115 64.760 -0.645 17835 4096 1 10 . 1 1 50 50 PRO CB C 47 32.152 32.152 31.930 0.222 17835 4097 1 10 . 1 1 51 51 THR N N 48 105.643 105.643 107.375 -1.732 17835 4098 1 10 . 1 1 51 51 THR HA H 48 4.129 4.129 4.390 -0.261 17835 4099 1 10 . 1 1 51 51 THR C C 48 173.270 173.270 174.498 -1.228 17835 4100 1 10 . 1 1 51 51 THR CA C 48 58.738 58.738 59.906 -1.168 17835 4101 1 10 . 1 1 51 51 THR CB C 48 73.254 73.254 71.362 1.892 17835 4102 1 10 . 1 1 51 51 THR H H 48 6.939 6.939 7.541 -0.602 17835 4103 1 10 . 1 1 52 52 LEU N N 49 121.743 121.743 122.739 -0.996 17835 4104 1 10 . 1 1 52 52 LEU HA H 49 3.325 3.325 3.792 -0.467 17835 4105 1 10 . 1 1 52 52 LEU C C 49 178.195 178.195 178.678 -0.483 17835 4106 1 10 . 1 1 52 52 LEU CA C 49 57.551 57.551 57.724 -0.173 17835 4107 1 10 . 1 1 52 52 LEU CB C 49 40.517 40.517 40.510 0.007 17835 4108 1 10 . 1 1 52 52 LEU H H 49 7.849 7.849 8.107 -0.258 17835 4109 1 10 . 1 1 53 53 GLU N N 50 118.706 118.706 118.639 0.067 17835 4110 1 10 . 1 1 53 53 GLU HA H 50 3.411 3.411 3.880 -0.469 17835 4111 1 10 . 1 1 53 53 GLU C C 50 176.853 176.853 178.494 -1.641 17835 4112 1 10 . 1 1 53 53 GLU CA C 50 60.720 60.720 59.411 1.309 17835 4113 1 10 . 1 1 53 53 GLU CB C 50 28.696 28.696 28.735 -0.039 17835 4114 1 10 . 1 1 53 53 GLU H H 50 8.981 8.981 8.748 0.233 17835 4115 1 10 . 1 1 54 54 ALA N N 51 119.673 119.673 122.667 -2.994 17835 4116 1 10 . 1 1 54 54 ALA HA H 51 3.885 3.885 4.029 -0.144 17835 4117 1 10 . 1 1 54 54 ALA C C 51 180.232 180.232 179.396 0.836 17835 4118 1 10 . 1 1 54 54 ALA CA C 51 55.127 55.127 55.013 0.114 17835 4119 1 10 . 1 1 54 54 ALA CB C 51 18.345 18.345 18.481 -0.136 17835 4120 1 10 . 1 1 54 54 ALA H H 51 8.001 8.001 7.559 0.442 17835 4121 1 10 . 1 1 55 55 TYR N N 52 117.474 117.474 120.096 -2.622 17835 4122 1 10 . 1 1 55 55 TYR HA H 52 2.898 2.898 3.282 -0.384 17835 4123 1 10 . 1 1 55 55 TYR C C 52 178.563 178.563 177.060 1.503 17835 4124 1 10 . 1 1 55 55 TYR CA C 52 59.876 59.876 61.124 -1.248 17835 4125 1 10 . 1 1 55 55 TYR CB C 52 37.365 37.365 38.251 -0.886 17835 4126 1 10 . 1 1 55 55 TYR H H 52 7.218 7.218 7.945 -0.727 17835 4127 1 10 . 1 1 56 56 LEU N N 53 121.106 121.106 117.366 3.740 17835 4128 1 10 . 1 1 56 56 LEU HA H 53 3.221 3.221 3.739 -0.518 17835 4129 1 10 . 1 1 56 56 LEU C C 53 179.706 179.706 179.265 0.441 17835 4130 1 10 . 1 1 56 56 LEU CA C 53 57.334 57.334 57.410 -0.076 17835 4131 1 10 . 1 1 56 56 LEU CB C 53 40.788 40.788 41.766 -0.978 17835 4132 1 10 . 1 1 56 56 LEU H H 53 8.440 8.440 7.918 0.522 17835 4133 1 10 . 1 1 57 57 ARG N N 54 116.303 116.303 120.129 -3.826 17835 4134 1 10 . 1 1 57 57 ARG HA H 54 3.722 3.722 4.007 -0.285 17835 4135 1 10 . 1 1 57 57 ARG C C 54 176.071 176.071 177.848 -1.777 17835 4136 1 10 . 1 1 57 57 ARG CA C 54 58.463 58.463 58.657 -0.194 17835 4137 1 10 . 1 1 57 57 ARG CB C 54 29.735 29.735 29.930 -0.195 17835 4138 1 10 . 1 1 57 57 ARG H H 54 7.998 7.998 8.625 -0.627 17835 4139 1 10 . 1 1 58 58 SER N N 55 115.365 115.365 113.696 1.669 17835 4140 1 10 . 1 1 58 58 SER HA H 55 4.357 4.357 4.363 -0.006 17835 4141 1 10 . 1 1 58 58 SER C C 55 173.970 173.970 174.121 -0.151 17835 4142 1 10 . 1 1 58 58 SER CA C 55 59.762 59.762 60.189 -0.427 17835 4143 1 10 . 1 1 58 58 SER CB C 55 63.886 63.886 63.312 0.574 17835 4144 1 10 . 1 1 58 58 SER H H 55 7.491 7.491 7.546 -0.055 17835 4145 1 10 . 1 1 59 59 VAL N N 56 113.059 113.059 120.841 -7.782 17835 4146 1 10 . 1 1 59 59 VAL HA H 56 5.090 5.090 4.627 0.463 17835 4147 1 10 . 1 1 59 59 VAL C C 56 174.276 174.276 173.924 0.352 17835 4148 1 10 . 1 1 59 59 VAL CA C 56 58.444 58.444 58.810 -0.366 17835 4149 1 10 . 1 1 59 59 VAL CB C 56 31.559 31.559 32.671 -1.112 17835 4150 1 10 . 1 1 59 59 VAL H H 56 6.729 6.729 7.176 -0.447 17835 4151 1 10 . 1 1 60 60 PRO HA H 57 4.902 4.902 4.766 0.136 17835 4152 1 10 . 1 1 60 60 PRO C C 57 177.563 177.563 177.329 0.234 17835 4153 1 10 . 1 1 60 60 PRO CA C 57 64.541 64.541 64.504 0.037 17835 4154 1 10 . 1 1 60 60 PRO CB C 57 31.768 31.768 31.648 0.120 17835 4155 1 10 . 1 1 61 61 ALA N N 58 120.004 120.004 120.130 -0.126 17835 4156 1 10 . 1 1 61 61 ALA HA H 58 4.327 4.327 4.280 0.047 17835 4157 1 10 . 1 1 61 61 ALA C C 58 177.191 177.191 177.864 -0.673 17835 4158 1 10 . 1 1 61 61 ALA CA C 58 52.795 52.795 53.584 -0.789 17835 4159 1 10 . 1 1 61 61 ALA CB C 58 18.427 18.427 19.324 -0.897 17835 4160 1 10 . 1 1 61 61 ALA H H 58 8.397 8.397 8.064 0.333 17835 4161 1 10 . 1 1 62 62 VAL N N 59 116.635 116.635 113.015 3.620 17835 4162 1 10 . 1 1 62 62 VAL HA H 59 4.032 4.032 4.439 -0.407 17835 4163 1 10 . 1 1 62 62 VAL C C 59 174.238 174.238 175.039 -0.801 17835 4164 1 10 . 1 1 62 62 VAL CA C 59 63.741 63.741 63.043 0.698 17835 4165 1 10 . 1 1 62 62 VAL CB C 59 34.115 34.115 34.838 -0.723 17835 4166 1 10 . 1 1 62 62 VAL H H 59 8.080 8.080 7.695 0.385 17835 4167 1 10 . 1 1 63 63 VAL N N 60 117.153 117.153 119.188 -2.035 17835 4168 1 10 . 1 1 63 63 VAL HA H 60 4.911 4.911 4.677 0.234 17835 4169 1 10 . 1 1 63 63 VAL C C 60 172.258 172.258 173.830 -1.572 17835 4170 1 10 . 1 1 63 63 VAL CA C 60 59.006 59.006 60.436 -1.430 17835 4171 1 10 . 1 1 63 63 VAL CB C 60 35.461 35.461 36.155 -0.694 17835 4172 1 10 . 1 1 63 63 VAL H H 60 7.791 7.791 8.170 -0.379 17835 4173 1 10 . 1 1 64 64 ARG N N 61 129.658 129.658 121.984 7.674 17835 4174 1 10 . 1 1 64 64 ARG HA H 61 4.727 4.727 4.961 -0.234 17835 4175 1 10 . 1 1 64 64 ARG C C 61 174.437 174.437 173.743 0.694 17835 4176 1 10 . 1 1 64 64 ARG CA C 61 54.117 54.117 55.004 -0.887 17835 4177 1 10 . 1 1 64 64 ARG CB C 61 32.754 32.754 34.710 -1.956 17835 4178 1 10 . 1 1 64 64 ARG H H 61 9.208 9.208 8.946 0.262 17835 4179 1 10 . 1 1 65 65 ILE N N 62 125.775 125.775 117.931 7.844 17835 4180 1 10 . 1 1 65 65 ILE HA H 62 4.917 4.917 5.354 -0.437 17835 4181 1 10 . 1 1 65 65 ILE C C 62 175.842 175.842 174.699 1.143 17835 4182 1 10 . 1 1 65 65 ILE CA C 62 59.545 59.545 59.701 -0.156 17835 4183 1 10 . 1 1 65 65 ILE CB C 62 39.645 39.645 42.354 -2.709 17835 4184 1 10 . 1 1 65 65 ILE H H 62 8.736 8.736 8.315 0.421 17835 4185 1 10 . 1 1 66 66 GLU N N 63 127.114 127.114 122.941 4.173 17835 4186 1 10 . 1 1 66 66 GLU HA H 63 4.677 4.677 4.737 -0.060 17835 4187 1 10 . 1 1 66 66 GLU C C 63 174.409 174.409 175.280 -0.871 17835 4188 1 10 . 1 1 66 66 GLU CA C 63 54.791 54.791 54.800 -0.009 17835 4189 1 10 . 1 1 66 66 GLU CB C 63 33.078 33.078 31.555 1.523 17835 4190 1 10 . 1 1 66 66 GLU H H 63 9.197 9.197 9.089 0.108 17835 4191 1 10 . 1 1 67 67 ALA N N 64 127.913 127.913 129.689 -1.776 17835 4192 1 10 . 1 1 67 67 ALA HA H 64 5.026 5.026 4.629 0.397 17835 4193 1 10 . 1 1 67 67 ALA C C 64 177.717 177.717 177.202 0.515 17835 4194 1 10 . 1 1 67 67 ALA CA C 64 51.070 51.070 51.688 -0.618 17835 4195 1 10 . 1 1 67 67 ALA CB C 64 19.550 19.550 19.078 0.472 17835 4196 1 10 . 1 1 67 67 ALA H H 64 8.779 8.779 8.596 0.183 17835 4197 1 10 . 1 1 68 68 SER N N 65 119.364 119.364 119.548 -0.184 17835 4198 1 10 . 1 1 68 68 SER HA H 65 4.665 4.665 4.513 0.152 17835 4199 1 10 . 1 1 68 68 SER C C 65 176.518 176.518 176.692 -0.174 17835 4200 1 10 . 1 1 68 68 SER CA C 65 57.096 57.096 57.261 -0.165 17835 4201 1 10 . 1 1 68 68 SER CB C 65 65.234 65.234 64.312 0.922 17835 4202 1 10 . 1 1 68 68 SER H H 65 8.951 8.951 8.639 0.312 17835 4203 1 10 . 1 1 69 69 ARG N N 66 123.143 123.143 125.550 -2.407 17835 4204 1 10 . 1 1 69 69 ARG HA H 66 4.153 4.153 4.215 -0.062 17835 4205 1 10 . 1 1 69 69 ARG C C 66 177.356 177.356 176.808 0.548 17835 4206 1 10 . 1 1 69 69 ARG CA C 66 58.973 58.973 58.338 0.635 17835 4207 1 10 . 1 1 69 69 ARG CB C 66 29.659 29.659 29.659 0.000 17835 4208 1 10 . 1 1 69 69 ARG H H 66 9.075 9.075 8.942 0.133 17835 4209 1 10 . 1 1 70 70 SER N N 67 112.081 112.081 115.211 -3.130 17835 4210 1 10 . 1 1 70 70 SER HA H 67 4.416 4.416 4.368 0.048 17835 4211 1 10 . 1 1 70 70 SER C C 67 175.146 175.146 175.557 -0.411 17835 4212 1 10 . 1 1 70 70 SER CA C 67 58.413 58.413 58.727 -0.314 17835 4213 1 10 . 1 1 70 70 SER CB C 67 63.477 63.477 63.620 -0.143 17835 4214 1 10 . 1 1 70 70 SER H H 67 8.083 8.083 7.839 0.244 17835 4215 1 10 . 1 1 71 71 GLY N N 68 110.519 110.519 108.575 1.944 17835 4216 1 10 . 1 1 71 71 GLY C C 68 174.116 174.116 174.231 -0.115 17835 4217 1 10 . 1 1 71 71 GLY CA C 68 45.114 45.114 45.151 -0.037 17835 4218 1 10 . 1 1 71 71 GLY H H 68 7.974 7.974 7.881 0.093 17835 4219 1 10 . 1 1 72 72 GLU N N 69 120.663 120.663 121.333 -0.670 17835 4220 1 10 . 1 1 72 72 GLU HA H 69 4.289 4.289 4.496 -0.207 17835 4221 1 10 . 1 1 72 72 GLU C C 69 175.352 175.352 175.525 -0.173 17835 4222 1 10 . 1 1 72 72 GLU CA C 69 56.082 56.082 55.497 0.585 17835 4223 1 10 . 1 1 72 72 GLU CB C 69 30.517 30.517 30.781 -0.264 17835 4224 1 10 . 1 1 72 72 GLU H H 69 7.630 7.630 8.164 -0.534 17835 4225 1 10 . 1 1 73 73 ILE N N 70 125.775 125.775 120.765 5.010 17835 4226 1 10 . 1 1 73 73 ILE HA H 70 4.367 4.367 4.908 -0.541 17835 4227 1 10 . 1 1 73 73 ILE C C 70 174.613 174.613 173.779 0.834 17835 4228 1 10 . 1 1 73 73 ILE CA C 70 60.876 60.876 59.335 1.541 17835 4229 1 10 . 1 1 73 73 ILE CB C 70 37.465 37.465 41.631 -4.166 17835 4230 1 10 . 1 1 73 73 ILE H H 70 8.753 8.753 8.228 0.525 17835 4231 1 10 . 1 1 74 74 VAL N N 71 128.300 128.300 127.340 0.960 17835 4232 1 10 . 1 1 74 74 VAL HA H 71 4.153 4.153 4.545 -0.392 17835 4233 1 10 . 1 1 74 74 VAL C C 71 173.544 173.544 175.216 -1.672 17835 4234 1 10 . 1 1 74 74 VAL CA C 71 61.736 61.736 59.980 1.756 17835 4235 1 10 . 1 1 74 74 VAL CB C 71 33.763 33.763 33.459 0.304 17835 4236 1 10 . 1 1 74 74 VAL H H 71 8.724 8.724 8.657 0.067 17835 4237 1 10 . 1 1 75 75 CYS N N 72 122.823 122.823 125.337 -2.514 17835 4238 1 10 . 1 1 75 75 CYS HA H 72 4.948 4.948 5.037 -0.089 17835 4239 1 10 . 1 1 75 75 CYS C C 72 173.200 173.200 174.255 -1.055 17835 4240 1 10 . 1 1 75 75 CYS CA C 72 57.176 57.176 57.048 0.128 17835 4241 1 10 . 1 1 75 75 CYS CB C 72 29.712 29.712 28.768 0.944 17835 4242 1 10 . 1 1 75 75 CYS H H 72 8.200 8.200 8.806 -0.606 17835 4243 1 10 . 1 1 76 76 TYR N N 73 119.584 119.584 119.062 0.522 17835 4244 1 10 . 1 1 76 76 TYR HA H 73 5.013 5.013 4.729 0.284 17835 4245 1 10 . 1 1 76 76 TYR C C 73 175.779 175.779 174.759 1.020 17835 4246 1 10 . 1 1 76 76 TYR CA C 73 56.289 56.289 57.118 -0.829 17835 4247 1 10 . 1 1 76 76 TYR CB C 73 42.505 42.505 43.060 -0.555 17835 4248 1 10 . 1 1 76 76 TYR H H 73 9.265 9.265 9.301 -0.036 17835 4249 1 10 . 1 1 77 77 ALA N N 74 122.844 122.844 121.859 0.985 17835 4250 1 10 . 1 1 77 77 ALA HA H 74 4.423 4.423 4.546 -0.123 17835 4251 1 10 . 1 1 77 77 ALA C C 74 177.907 177.907 175.607 2.300 17835 4252 1 10 . 1 1 77 77 ALA CA C 74 52.151 52.151 51.654 0.497 17835 4253 1 10 . 1 1 77 77 ALA CB C 74 18.915 18.915 20.554 -1.639 17835 4254 1 10 . 1 1 77 77 ALA H H 74 9.145 9.145 8.904 0.241 17835 4255 1 10 . 1 1 78 78 VAL N N 75 123.434 123.434 117.580 5.854 17835 4256 1 10 . 1 1 78 78 VAL HA H 75 3.826 3.826 4.328 -0.502 17835 4257 1 10 . 1 1 78 78 VAL C C 75 174.995 174.995 174.882 0.113 17835 4258 1 10 . 1 1 78 78 VAL CA C 75 63.379 63.379 62.888 0.491 17835 4259 1 10 . 1 1 78 78 VAL CB C 75 32.715 32.715 35.391 -2.676 17835 4260 1 10 . 1 1 78 78 VAL H H 75 7.894 7.894 8.368 -0.474 17835 4261 1 11 . 1 1 5 5 LEU N N 2 124.907 124.907 121.931 2.976 17835 4262 1 11 . 1 1 5 5 LEU HA H 2 4.299 4.299 4.432 -0.133 17835 4263 1 11 . 1 1 5 5 LEU C C 2 177.892 177.892 177.940 -0.048 17835 4264 1 11 . 1 1 5 5 LEU CA C 2 55.749 55.749 54.592 1.157 17835 4265 1 11 . 1 1 5 5 LEU CB C 2 42.001 42.001 42.634 -0.633 17835 4266 1 11 . 1 1 5 5 LEU H H 2 8.636 8.636 8.574 0.062 17835 4267 1 11 . 1 1 6 6 GLU N N 3 122.649 122.649 122.404 0.245 17835 4268 1 11 . 1 1 6 6 GLU HA H 3 4.172 4.172 3.977 0.195 17835 4269 1 11 . 1 1 6 6 GLU C C 3 177.481 177.481 178.473 -0.992 17835 4270 1 11 . 1 1 6 6 GLU CA C 3 58.106 58.106 60.000 -1.894 17835 4271 1 11 . 1 1 6 6 GLU CB C 3 28.874 28.874 29.767 -0.893 17835 4272 1 11 . 1 1 6 6 GLU H H 3 8.594 8.594 9.005 -0.411 17835 4273 1 11 . 1 1 7 7 ALA N N 4 121.929 121.929 121.427 0.502 17835 4274 1 11 . 1 1 7 7 ALA HA H 4 3.944 3.944 4.198 -0.254 17835 4275 1 11 . 1 1 7 7 ALA C C 4 180.419 180.419 179.319 1.100 17835 4276 1 11 . 1 1 7 7 ALA CA C 4 55.686 55.686 55.053 0.633 17835 4277 1 11 . 1 1 7 7 ALA CB C 4 18.587 18.587 18.031 0.556 17835 4278 1 11 . 1 1 7 7 ALA H H 4 8.744 8.744 8.376 0.368 17835 4279 1 11 . 1 1 8 8 ASP N N 5 117.514 117.514 119.749 -2.235 17835 4280 1 11 . 1 1 8 8 ASP HA H 5 4.482 4.482 4.497 -0.015 17835 4281 1 11 . 1 1 8 8 ASP C C 5 178.010 178.010 178.170 -0.160 17835 4282 1 11 . 1 1 8 8 ASP CA C 5 56.603 56.603 56.806 -0.203 17835 4283 1 11 . 1 1 8 8 ASP CB C 5 40.353 40.353 40.667 -0.314 17835 4284 1 11 . 1 1 8 8 ASP H H 5 8.071 8.071 8.268 -0.197 17835 4285 1 11 . 1 1 9 9 LEU N N 6 122.640 122.640 121.528 1.112 17835 4286 1 11 . 1 1 9 9 LEU HA H 6 4.165 4.165 4.025 0.140 17835 4287 1 11 . 1 1 9 9 LEU C C 6 178.699 178.699 178.773 -0.074 17835 4288 1 11 . 1 1 9 9 LEU CA C 6 57.986 57.986 57.953 0.033 17835 4289 1 11 . 1 1 9 9 LEU CB C 6 41.675 41.675 42.214 -0.539 17835 4290 1 11 . 1 1 9 9 LEU H H 6 7.713 7.713 8.247 -0.534 17835 4291 1 11 . 1 1 10 10 VAL N N 7 119.303 119.303 114.920 4.383 17835 4292 1 11 . 1 1 10 10 VAL HA H 7 4.025 4.025 3.728 0.297 17835 4293 1 11 . 1 1 10 10 VAL C C 7 178.570 178.570 177.960 0.610 17835 4294 1 11 . 1 1 10 10 VAL CA C 7 65.683 65.683 66.832 -1.149 17835 4295 1 11 . 1 1 10 10 VAL CB C 7 31.841 31.841 31.473 0.368 17835 4296 1 11 . 1 1 10 10 VAL H H 7 8.115 8.115 8.298 -0.183 17835 4297 1 11 . 1 1 11 11 SER N N 8 113.146 113.146 118.563 -5.417 17835 4298 1 11 . 1 1 11 11 SER HA H 8 4.042 4.042 4.287 -0.245 17835 4299 1 11 . 1 1 11 11 SER C C 8 176.364 176.364 176.733 -0.369 17835 4300 1 11 . 1 1 11 11 SER CA C 8 62.600 62.600 62.741 -0.141 17835 4301 1 11 . 1 1 11 11 SER CB C 8 61.596 61.596 63.153 -1.557 17835 4302 1 11 . 1 1 11 11 SER H H 8 7.796 7.796 8.217 -0.421 17835 4303 1 11 . 1 1 12 12 LYS N N 9 121.690 121.690 121.939 -0.249 17835 4304 1 11 . 1 1 12 12 LYS HA H 9 4.044 4.044 3.982 0.062 17835 4305 1 11 . 1 1 12 12 LYS C C 9 180.048 180.048 178.819 1.229 17835 4306 1 11 . 1 1 12 12 LYS CA C 9 60.002 60.002 59.751 0.251 17835 4307 1 11 . 1 1 12 12 LYS CB C 9 32.839 32.839 32.389 0.450 17835 4308 1 11 . 1 1 12 12 LYS H H 9 7.754 7.754 8.322 -0.568 17835 4309 1 11 . 1 1 13 13 MET N N 10 119.794 119.794 118.905 0.889 17835 4310 1 11 . 1 1 13 13 MET HA H 10 4.420 4.420 4.133 0.287 17835 4311 1 11 . 1 1 13 13 MET C C 10 178.151 178.151 178.312 -0.161 17835 4312 1 11 . 1 1 13 13 MET CA C 10 57.095 57.095 59.130 -2.035 17835 4313 1 11 . 1 1 13 13 MET CB C 10 31.599 31.599 32.694 -1.095 17835 4314 1 11 . 1 1 13 13 MET H H 10 8.451 8.451 8.375 0.076 17835 4315 1 11 . 1 1 14 14 LEU N N 11 122.035 122.035 122.225 -0.190 17835 4316 1 11 . 1 1 14 14 LEU HA H 11 4.207 4.207 4.127 0.080 17835 4317 1 11 . 1 1 14 14 LEU C C 11 178.526 178.526 177.988 0.538 17835 4318 1 11 . 1 1 14 14 LEU CA C 11 58.178 58.178 59.115 -0.937 17835 4319 1 11 . 1 1 14 14 LEU CB C 11 42.148 42.148 41.774 0.374 17835 4320 1 11 . 1 1 14 14 LEU H H 11 9.301 9.301 8.672 0.629 17835 4321 1 11 . 1 1 15 15 ARG N N 12 118.150 118.150 119.344 -1.194 17835 4322 1 11 . 1 1 15 15 ARG HA H 12 3.839 3.839 3.864 -0.025 17835 4323 1 11 . 1 1 15 15 ARG C C 12 177.951 177.951 178.394 -0.443 17835 4324 1 11 . 1 1 15 15 ARG CA C 12 60.500 60.500 59.292 1.208 17835 4325 1 11 . 1 1 15 15 ARG CB C 12 29.966 29.966 29.817 0.149 17835 4326 1 11 . 1 1 15 15 ARG H H 12 8.248 8.248 8.486 -0.238 17835 4327 1 11 . 1 1 16 16 ALA N N 13 120.291 120.291 121.979 -1.688 17835 4328 1 11 . 1 1 16 16 ALA HA H 13 4.150 4.150 4.030 0.120 17835 4329 1 11 . 1 1 16 16 ALA C C 13 181.072 181.072 179.618 1.454 17835 4330 1 11 . 1 1 16 16 ALA CA C 13 55.371 55.371 55.053 0.318 17835 4331 1 11 . 1 1 16 16 ALA CB C 13 17.845 17.845 18.516 -0.671 17835 4332 1 11 . 1 1 16 16 ALA H H 13 7.587 7.587 8.143 -0.556 17835 4333 1 11 . 1 1 17 17 VAL N N 14 119.183 119.183 119.042 0.141 17835 4334 1 11 . 1 1 17 17 VAL HA H 14 3.858 3.858 3.270 0.588 17835 4335 1 11 . 1 1 17 17 VAL C C 14 178.531 178.531 177.967 0.564 17835 4336 1 11 . 1 1 17 17 VAL CA C 14 65.552 65.552 66.824 -1.272 17835 4337 1 11 . 1 1 17 17 VAL CB C 14 32.190 32.190 31.631 0.559 17835 4338 1 11 . 1 1 17 17 VAL H H 14 8.324 8.324 8.048 0.276 17835 4339 1 11 . 1 1 18 18 LEU N N 15 120.498 120.498 118.744 1.754 17835 4340 1 11 . 1 1 18 18 LEU HA H 15 3.985 3.985 3.952 0.033 17835 4341 1 11 . 1 1 18 18 LEU C C 15 179.935 179.935 178.974 0.961 17835 4342 1 11 . 1 1 18 18 LEU CA C 15 58.474 58.474 57.656 0.818 17835 4343 1 11 . 1 1 18 18 LEU CB C 15 41.885 41.885 41.491 0.394 17835 4344 1 11 . 1 1 18 18 LEU H H 15 8.388 8.388 7.984 0.404 17835 4345 1 11 . 1 1 19 19 GLN N N 16 117.835 117.835 117.216 0.619 17835 4346 1 11 . 1 1 19 19 GLN HA H 16 3.981 3.981 4.081 -0.100 17835 4347 1 11 . 1 1 19 19 GLN C C 16 177.304 177.304 178.684 -1.380 17835 4348 1 11 . 1 1 19 19 GLN CA C 16 58.668 58.668 58.153 0.515 17835 4349 1 11 . 1 1 19 19 GLN CB C 16 28.274 28.274 28.503 -0.229 17835 4350 1 11 . 1 1 19 19 GLN H H 16 8.689 8.689 8.235 0.454 17835 4351 1 11 . 1 1 20 20 SER N N 17 111.043 111.043 115.023 -3.980 17835 4352 1 11 . 1 1 20 20 SER HA H 17 4.386 4.386 4.355 0.031 17835 4353 1 11 . 1 1 20 20 SER C C 17 173.630 173.630 176.131 -2.501 17835 4354 1 11 . 1 1 20 20 SER CA C 17 59.252 59.252 60.793 -1.541 17835 4355 1 11 . 1 1 20 20 SER CB C 17 63.600 63.600 63.792 -0.192 17835 4356 1 11 . 1 1 20 20 SER H H 17 7.461 7.461 7.942 -0.481 17835 4357 1 11 . 1 1 21 21 HIS N N 18 121.324 121.324 120.059 1.265 17835 4358 1 11 . 1 1 21 21 HIS HA H 18 4.824 4.824 4.852 -0.028 17835 4359 1 11 . 1 1 21 21 HIS C C 18 174.835 174.835 175.034 -0.199 17835 4360 1 11 . 1 1 21 21 HIS CA C 18 54.386 54.386 52.661 1.725 17835 4361 1 11 . 1 1 21 21 HIS CB C 18 28.657 28.657 27.734 0.923 17835 4362 1 11 . 1 1 21 21 HIS H H 18 7.692 7.692 8.053 -0.361 17835 4363 1 11 . 1 1 22 22 LYS N N 19 123.925 123.925 121.502 2.423 17835 4364 1 11 . 1 1 22 22 LYS HA H 19 4.161 4.161 4.243 -0.082 17835 4365 1 11 . 1 1 22 22 LYS C C 19 177.562 177.562 177.893 -0.331 17835 4366 1 11 . 1 1 22 22 LYS CA C 19 59.316 59.316 58.243 1.073 17835 4367 1 11 . 1 1 22 22 LYS CB C 19 32.202 32.202 31.888 0.314 17835 4368 1 11 . 1 1 22 22 LYS H H 19 8.809 8.809 7.819 0.990 17835 4369 1 11 . 1 1 23 23 ASN N N 20 115.473 115.473 116.713 -1.240 17835 4370 1 11 . 1 1 23 23 ASN HA H 20 5.073 5.073 4.710 0.363 17835 4371 1 11 . 1 1 23 23 ASN C C 20 174.783 174.783 175.805 -1.022 17835 4372 1 11 . 1 1 23 23 ASN CA C 20 52.835 52.835 53.434 -0.599 17835 4373 1 11 . 1 1 23 23 ASN CB C 20 38.540 38.540 39.067 -0.527 17835 4374 1 11 . 1 1 23 23 ASN H H 20 8.784 8.784 8.211 0.573 17835 4375 1 11 . 1 1 24 24 GLY N N 21 107.402 107.402 108.379 -0.977 17835 4376 1 11 . 1 1 24 24 GLY C C 21 172.572 172.572 172.821 -0.249 17835 4377 1 11 . 1 1 24 24 GLY CA C 21 44.739 44.739 44.435 0.304 17835 4378 1 11 . 1 1 24 24 GLY H H 21 7.743 7.743 7.871 -0.128 17835 4379 1 11 . 1 1 25 25 ILE N N 22 117.796 117.796 115.990 1.806 17835 4380 1 11 . 1 1 25 25 ILE HA H 22 4.272 4.272 4.651 -0.379 17835 4381 1 11 . 1 1 25 25 ILE C C 22 175.452 175.452 174.963 0.489 17835 4382 1 11 . 1 1 25 25 ILE CA C 22 59.468 59.468 59.268 0.200 17835 4383 1 11 . 1 1 25 25 ILE CB C 22 41.833 41.833 40.656 1.177 17835 4384 1 11 . 1 1 25 25 ILE H H 22 8.509 8.509 7.978 0.531 17835 4385 1 11 . 1 1 26 26 VAL N N 23 124.597 124.597 122.534 2.063 17835 4386 1 11 . 1 1 26 26 VAL HA H 23 4.585 4.585 4.392 0.193 17835 4387 1 11 . 1 1 26 26 VAL C C 23 177.566 177.566 177.541 0.025 17835 4388 1 11 . 1 1 26 26 VAL CA C 23 62.227 62.227 62.026 0.201 17835 4389 1 11 . 1 1 26 26 VAL CB C 23 31.945 31.945 32.196 -0.251 17835 4390 1 11 . 1 1 26 26 VAL H H 23 8.524 8.524 8.383 0.141 17835 4391 1 11 . 1 1 27 27 LEU N N 24 124.858 124.858 121.249 3.609 17835 4392 1 11 . 1 1 27 27 LEU HA H 24 4.011 4.011 4.319 -0.308 17835 4393 1 11 . 1 1 27 27 LEU C C 24 175.569 175.569 176.618 -1.049 17835 4394 1 11 . 1 1 27 27 LEU CA C 24 60.394 60.394 58.738 1.656 17835 4395 1 11 . 1 1 27 27 LEU CB C 24 39.402 39.402 39.065 0.337 17835 4396 1 11 . 1 1 27 27 LEU H H 24 8.816 8.816 8.575 0.241 17835 4397 1 11 . 1 1 28 28 PRO HA H 25 4.401 4.401 4.347 0.054 17835 4398 1 11 . 1 1 28 28 PRO C C 25 177.600 177.600 179.232 -1.632 17835 4399 1 11 . 1 1 28 28 PRO CA C 25 65.549 65.549 65.082 0.467 17835 4400 1 11 . 1 1 28 28 PRO CB C 25 31.458 31.458 31.219 0.239 17835 4401 1 11 . 1 1 29 29 ARG N N 26 115.136 115.136 119.264 -4.128 17835 4402 1 11 . 1 1 29 29 ARG HA H 26 4.511 4.511 4.109 0.402 17835 4403 1 11 . 1 1 29 29 ARG C C 26 177.152 177.152 178.180 -1.028 17835 4404 1 11 . 1 1 29 29 ARG CA C 26 55.853 55.853 59.203 -3.349 17835 4405 1 11 . 1 1 29 29 ARG CB C 26 30.981 30.981 29.940 1.041 17835 4406 1 11 . 1 1 29 29 ARG H H 26 7.869 7.869 7.808 0.061 17835 4407 1 11 . 1 1 30 30 LEU N N 27 122.984 122.984 121.407 1.577 17835 4408 1 11 . 1 1 30 30 LEU HA H 27 3.842 3.842 3.965 -0.123 17835 4409 1 11 . 1 1 30 30 LEU C C 27 177.872 177.872 178.477 -0.605 17835 4410 1 11 . 1 1 30 30 LEU CA C 27 59.458 59.458 58.625 0.833 17835 4411 1 11 . 1 1 30 30 LEU CB C 27 42.326 42.326 41.373 0.953 17835 4412 1 11 . 1 1 30 30 LEU H H 27 7.870 7.870 8.584 -0.714 17835 4413 1 11 . 1 1 31 31 GLN N N 28 117.382 117.382 118.078 -0.696 17835 4414 1 11 . 1 1 31 31 GLN HA H 28 4.689 4.689 3.996 0.693 17835 4415 1 11 . 1 1 31 31 GLN C C 28 178.888 178.888 179.008 -0.120 17835 4416 1 11 . 1 1 31 31 GLN CA C 28 60.243 60.243 59.307 0.936 17835 4417 1 11 . 1 1 31 31 GLN CB C 28 27.811 27.811 28.545 -0.734 17835 4418 1 11 . 1 1 31 31 GLN H H 28 9.217 9.217 7.838 1.379 17835 4419 1 11 . 1 1 32 32 GLY N N 29 105.066 105.066 107.899 -2.833 17835 4420 1 11 . 1 1 32 32 GLY C C 29 177.579 177.579 176.464 1.115 17835 4421 1 11 . 1 1 32 32 GLY CA C 29 47.254 47.254 47.295 -0.042 17835 4422 1 11 . 1 1 32 32 GLY H H 29 8.680 8.680 8.191 0.489 17835 4423 1 11 . 1 1 33 33 GLU N N 30 121.593 121.593 122.962 -1.369 17835 4424 1 11 . 1 1 33 33 GLU HA H 30 4.274 4.274 4.206 0.068 17835 4425 1 11 . 1 1 33 33 GLU C C 30 179.316 179.316 178.882 0.434 17835 4426 1 11 . 1 1 33 33 GLU CA C 30 59.068 59.068 58.503 0.565 17835 4427 1 11 . 1 1 33 33 GLU CB C 30 29.077 29.077 29.364 -0.287 17835 4428 1 11 . 1 1 33 33 GLU H H 30 8.063 8.063 8.212 -0.149 17835 4429 1 11 . 1 1 34 34 TYR N N 31 123.143 123.143 122.026 1.117 17835 4430 1 11 . 1 1 34 34 TYR HA H 31 4.083 4.083 4.052 0.031 17835 4431 1 11 . 1 1 34 34 TYR C C 31 178.379 178.379 177.236 1.143 17835 4432 1 11 . 1 1 34 34 TYR CA C 31 62.406 62.406 61.754 0.652 17835 4433 1 11 . 1 1 34 34 TYR CB C 31 39.405 39.405 38.421 0.984 17835 4434 1 11 . 1 1 34 34 TYR H H 31 9.063 9.063 8.747 0.316 17835 4435 1 11 . 1 1 35 35 ARG N N 32 123.458 123.458 119.716 3.742 17835 4436 1 11 . 1 1 35 35 ARG HA H 32 4.281 4.281 3.884 0.397 17835 4437 1 11 . 1 1 35 35 ARG C C 32 180.186 180.186 178.967 1.219 17835 4438 1 11 . 1 1 35 35 ARG CA C 32 58.908 58.908 59.128 -0.220 17835 4439 1 11 . 1 1 35 35 ARG CB C 32 29.708 29.708 29.981 -0.273 17835 4440 1 11 . 1 1 35 35 ARG H H 32 9.321 9.321 8.576 0.745 17835 4441 1 11 . 1 1 36 36 SER N N 33 116.071 116.071 115.757 0.314 17835 4442 1 11 . 1 1 36 36 SER HA H 33 4.048 4.048 4.074 -0.026 17835 4443 1 11 . 1 1 36 36 SER C C 33 175.063 175.063 175.719 -0.656 17835 4444 1 11 . 1 1 36 36 SER CA C 33 61.856 61.856 61.050 0.806 17835 4445 1 11 . 1 1 36 36 SER CB C 33 62.779 62.779 63.013 -0.234 17835 4446 1 11 . 1 1 36 36 SER H H 33 8.078 8.078 7.950 0.128 17835 4447 1 11 . 1 1 37 37 LEU N N 34 118.571 118.571 122.379 -3.808 17835 4448 1 11 . 1 1 37 37 LEU HA H 34 4.342 4.342 4.212 0.130 17835 4449 1 11 . 1 1 37 37 LEU C C 34 178.400 178.400 178.405 -0.005 17835 4450 1 11 . 1 1 37 37 LEU CA C 34 57.073 57.073 57.306 -0.232 17835 4451 1 11 . 1 1 37 37 LEU CB C 34 43.132 43.132 42.303 0.829 17835 4452 1 11 . 1 1 37 37 LEU H H 34 7.167 7.167 7.512 -0.345 17835 4453 1 11 . 1 1 38 38 THR N N 35 106.425 106.425 109.532 -3.107 17835 4454 1 11 . 1 1 38 38 THR HA H 35 4.163 4.163 4.099 0.064 17835 4455 1 11 . 1 1 38 38 THR C C 35 176.259 176.259 176.006 0.253 17835 4456 1 11 . 1 1 38 38 THR CA C 35 62.637 62.637 62.717 -0.080 17835 4457 1 11 . 1 1 38 38 THR CB C 35 71.659 71.659 69.716 1.943 17835 4458 1 11 . 1 1 38 38 THR H H 35 8.168 8.168 7.889 0.279 17835 4459 1 11 . 1 1 39 39 GLY N N 36 112.162 112.162 112.263 -0.101 17835 4460 1 11 . 1 1 39 39 GLY C C 36 172.464 172.464 172.761 -0.297 17835 4461 1 11 . 1 1 39 39 GLY CA C 36 45.225 45.225 45.176 0.049 17835 4462 1 11 . 1 1 39 39 GLY H H 36 8.759 8.759 8.158 0.601 17835 4463 1 11 . 1 1 40 40 ASP N N 37 121.106 121.106 118.227 2.879 17835 4464 1 11 . 1 1 40 40 ASP HA H 37 4.733 4.733 4.712 0.021 17835 4465 1 11 . 1 1 40 40 ASP C C 37 173.861 173.861 174.004 -0.143 17835 4466 1 11 . 1 1 40 40 ASP CA C 37 52.159 52.159 51.737 0.422 17835 4467 1 11 . 1 1 40 40 ASP CB C 37 44.573 44.573 43.646 0.927 17835 4468 1 11 . 1 1 40 40 ASP H H 37 8.414 8.414 7.495 0.919 17835 4469 1 11 . 1 1 41 41 TRP N N 38 115.206 115.206 120.638 -5.432 17835 4470 1 11 . 1 1 41 41 TRP HA H 38 5.107 5.107 4.871 0.236 17835 4471 1 11 . 1 1 41 41 TRP C C 38 177.125 177.125 176.435 0.690 17835 4472 1 11 . 1 1 41 41 TRP CA C 38 54.889 54.889 56.269 -1.380 17835 4473 1 11 . 1 1 41 41 TRP CB C 38 31.592 31.592 30.555 1.036 17835 4474 1 11 . 1 1 41 41 TRP H H 38 8.016 8.016 8.245 -0.229 17835 4475 1 11 . 1 1 42 42 ILE N N 39 123.723 123.723 121.849 1.874 17835 4476 1 11 . 1 1 42 42 ILE HA H 39 3.512 3.512 3.685 -0.173 17835 4477 1 11 . 1 1 42 42 ILE C C 39 177.199 177.199 175.800 1.399 17835 4478 1 11 . 1 1 42 42 ILE CA C 39 60.467 60.467 59.907 0.560 17835 4479 1 11 . 1 1 42 42 ILE CB C 39 38.133 38.133 37.581 0.552 17835 4480 1 11 . 1 1 42 42 ILE H H 39 10.079 10.079 8.484 1.595 17835 4481 1 11 . 1 1 43 43 PRO HA H 40 4.600 4.600 4.787 -0.187 17835 4482 1 11 . 1 1 43 43 PRO C C 40 174.997 174.997 176.831 -1.834 17835 4483 1 11 . 1 1 43 43 PRO CA C 40 62.511 62.511 62.345 0.166 17835 4484 1 11 . 1 1 43 43 PRO CB C 40 27.857 27.857 29.520 -1.663 17835 4485 1 11 . 1 1 44 44 PHE N N 41 118.808 118.808 120.170 -1.362 17835 4486 1 11 . 1 1 44 44 PHE HA H 41 3.737 3.737 4.233 -0.496 17835 4487 1 11 . 1 1 44 44 PHE C C 41 175.891 175.891 176.783 -0.892 17835 4488 1 11 . 1 1 44 44 PHE CA C 41 60.911 60.911 61.810 -0.899 17835 4489 1 11 . 1 1 44 44 PHE CB C 41 38.412 38.412 37.594 0.818 17835 4490 1 11 . 1 1 44 44 PHE H H 41 7.647 7.647 7.943 -0.296 17835 4491 1 11 . 1 1 45 45 LYS N N 42 123.543 123.543 119.833 3.710 17835 4492 1 11 . 1 1 45 45 LYS HA H 42 4.763 4.763 4.085 0.678 17835 4493 1 11 . 1 1 45 45 LYS C C 42 181.828 181.828 178.665 3.163 17835 4494 1 11 . 1 1 45 45 LYS CA C 42 58.959 58.959 58.577 0.382 17835 4495 1 11 . 1 1 45 45 LYS CB C 42 31.599 31.599 31.556 0.043 17835 4496 1 11 . 1 1 45 45 LYS H H 42 7.387 7.387 7.215 0.172 17835 4497 1 11 . 1 1 46 46 GLN N N 43 123.171 123.171 118.193 4.978 17835 4498 1 11 . 1 1 46 46 GLN HA H 43 3.896 3.896 4.010 -0.114 17835 4499 1 11 . 1 1 46 46 GLN C C 43 178.167 178.167 177.903 0.264 17835 4500 1 11 . 1 1 46 46 GLN CA C 43 59.066 59.066 58.419 0.647 17835 4501 1 11 . 1 1 46 46 GLN CB C 43 27.702 27.702 28.287 -0.585 17835 4502 1 11 . 1 1 46 46 GLN H H 43 8.567 8.567 7.901 0.666 17835 4503 1 11 . 1 1 47 47 LEU N N 44 116.472 116.472 118.249 -1.777 17835 4504 1 11 . 1 1 47 47 LEU HA H 44 4.255 4.255 4.256 -0.001 17835 4505 1 11 . 1 1 47 47 LEU C C 44 176.103 176.103 178.019 -1.916 17835 4506 1 11 . 1 1 47 47 LEU CA C 44 55.308 55.308 55.825 -0.517 17835 4507 1 11 . 1 1 47 47 LEU CB C 44 41.374 41.374 42.952 -1.578 17835 4508 1 11 . 1 1 47 47 LEU H H 44 7.544 7.544 8.209 -0.665 17835 4509 1 11 . 1 1 48 48 GLY N N 45 104.932 104.932 104.101 0.831 17835 4510 1 11 . 1 1 48 48 GLY C C 45 173.844 173.844 174.394 -0.550 17835 4511 1 11 . 1 1 48 48 GLY CA C 45 44.826 44.826 44.440 0.386 17835 4512 1 11 . 1 1 48 48 GLY H H 45 7.741 7.741 7.936 -0.195 17835 4513 1 11 . 1 1 49 49 TYR N N 46 119.946 119.946 121.097 -1.151 17835 4514 1 11 . 1 1 49 49 TYR HA H 46 4.839 4.839 4.854 -0.015 17835 4515 1 11 . 1 1 49 49 TYR C C 46 174.575 174.575 174.965 -0.390 17835 4516 1 11 . 1 1 49 49 TYR CA C 46 56.349 56.349 56.138 0.211 17835 4517 1 11 . 1 1 49 49 TYR CB C 46 41.464 41.464 38.454 3.010 17835 4518 1 11 . 1 1 49 49 TYR H H 46 8.332 8.332 8.022 0.310 17835 4519 1 11 . 1 1 50 50 PRO HA H 47 4.556 4.556 4.536 0.020 17835 4520 1 11 . 1 1 50 50 PRO C C 47 177.125 177.125 176.223 0.902 17835 4521 1 11 . 1 1 50 50 PRO CA C 47 64.115 64.115 64.972 -0.857 17835 4522 1 11 . 1 1 50 50 PRO CB C 47 32.152 32.152 31.912 0.240 17835 4523 1 11 . 1 1 51 51 THR N N 48 105.643 105.643 107.152 -1.509 17835 4524 1 11 . 1 1 51 51 THR HA H 48 4.129 4.129 4.299 -0.170 17835 4525 1 11 . 1 1 51 51 THR C C 48 173.270 173.270 174.680 -1.410 17835 4526 1 11 . 1 1 51 51 THR CA C 48 58.738 58.738 59.476 -0.738 17835 4527 1 11 . 1 1 51 51 THR CB C 48 73.254 73.254 71.538 1.716 17835 4528 1 11 . 1 1 51 51 THR H H 48 6.939 6.939 7.700 -0.761 17835 4529 1 11 . 1 1 52 52 LEU N N 49 121.743 121.743 122.248 -0.505 17835 4530 1 11 . 1 1 52 52 LEU HA H 49 3.325 3.325 3.810 -0.485 17835 4531 1 11 . 1 1 52 52 LEU C C 49 178.195 178.195 178.688 -0.493 17835 4532 1 11 . 1 1 52 52 LEU CA C 49 57.551 57.551 57.988 -0.437 17835 4533 1 11 . 1 1 52 52 LEU CB C 49 40.517 40.517 40.917 -0.400 17835 4534 1 11 . 1 1 52 52 LEU H H 49 7.849 7.849 8.248 -0.399 17835 4535 1 11 . 1 1 53 53 GLU N N 50 118.706 118.706 118.824 -0.118 17835 4536 1 11 . 1 1 53 53 GLU HA H 50 3.411 3.411 3.882 -0.471 17835 4537 1 11 . 1 1 53 53 GLU C C 50 176.853 176.853 178.503 -1.650 17835 4538 1 11 . 1 1 53 53 GLU CA C 50 60.720 60.720 59.398 1.322 17835 4539 1 11 . 1 1 53 53 GLU CB C 50 28.696 28.696 28.756 -0.060 17835 4540 1 11 . 1 1 53 53 GLU H H 50 8.981 8.981 8.740 0.241 17835 4541 1 11 . 1 1 54 54 ALA N N 51 119.673 119.673 122.656 -2.983 17835 4542 1 11 . 1 1 54 54 ALA HA H 51 3.885 3.885 4.028 -0.143 17835 4543 1 11 . 1 1 54 54 ALA C C 51 180.232 180.232 179.401 0.831 17835 4544 1 11 . 1 1 54 54 ALA CA C 51 55.127 55.127 55.020 0.107 17835 4545 1 11 . 1 1 54 54 ALA CB C 51 18.345 18.345 18.473 -0.128 17835 4546 1 11 . 1 1 54 54 ALA H H 51 8.001 8.001 7.793 0.208 17835 4547 1 11 . 1 1 55 55 TYR N N 52 117.474 117.474 120.221 -2.747 17835 4548 1 11 . 1 1 55 55 TYR HA H 52 2.898 2.898 3.291 -0.393 17835 4549 1 11 . 1 1 55 55 TYR C C 52 178.563 178.563 177.199 1.364 17835 4550 1 11 . 1 1 55 55 TYR CA C 52 59.876 59.876 61.156 -1.280 17835 4551 1 11 . 1 1 55 55 TYR CB C 52 37.365 37.365 38.221 -0.856 17835 4552 1 11 . 1 1 55 55 TYR H H 52 7.218 7.218 7.990 -0.772 17835 4553 1 11 . 1 1 56 56 LEU N N 53 121.106 121.106 117.492 3.614 17835 4554 1 11 . 1 1 56 56 LEU HA H 53 3.221 3.221 3.679 -0.458 17835 4555 1 11 . 1 1 56 56 LEU C C 53 179.706 179.706 179.257 0.449 17835 4556 1 11 . 1 1 56 56 LEU CA C 53 57.334 57.334 57.368 -0.034 17835 4557 1 11 . 1 1 56 56 LEU CB C 53 40.788 40.788 41.695 -0.907 17835 4558 1 11 . 1 1 56 56 LEU H H 53 8.440 8.440 7.914 0.526 17835 4559 1 11 . 1 1 57 57 ARG N N 54 116.303 116.303 120.137 -3.834 17835 4560 1 11 . 1 1 57 57 ARG HA H 54 3.722 3.722 3.998 -0.276 17835 4561 1 11 . 1 1 57 57 ARG C C 54 176.071 176.071 177.816 -1.745 17835 4562 1 11 . 1 1 57 57 ARG CA C 54 58.463 58.463 58.650 -0.187 17835 4563 1 11 . 1 1 57 57 ARG CB C 54 29.735 29.735 29.908 -0.173 17835 4564 1 11 . 1 1 57 57 ARG H H 54 7.998 7.998 8.612 -0.614 17835 4565 1 11 . 1 1 58 58 SER N N 55 115.365 115.365 113.506 1.859 17835 4566 1 11 . 1 1 58 58 SER HA H 55 4.357 4.357 4.387 -0.030 17835 4567 1 11 . 1 1 58 58 SER C C 55 173.970 173.970 174.162 -0.192 17835 4568 1 11 . 1 1 58 58 SER CA C 55 59.762 59.762 60.119 -0.357 17835 4569 1 11 . 1 1 58 58 SER CB C 55 63.886 63.886 63.346 0.540 17835 4570 1 11 . 1 1 58 58 SER H H 55 7.491 7.491 7.488 0.003 17835 4571 1 11 . 1 1 59 59 VAL N N 56 113.059 113.059 119.790 -6.731 17835 4572 1 11 . 1 1 59 59 VAL HA H 56 5.090 5.090 4.601 0.489 17835 4573 1 11 . 1 1 59 59 VAL C C 56 174.276 174.276 173.956 0.320 17835 4574 1 11 . 1 1 59 59 VAL CA C 56 58.444 58.444 58.830 -0.386 17835 4575 1 11 . 1 1 59 59 VAL CB C 56 31.559 31.559 32.398 -0.839 17835 4576 1 11 . 1 1 59 59 VAL H H 56 6.729 6.729 7.147 -0.418 17835 4577 1 11 . 1 1 60 60 PRO HA H 57 4.902 4.902 4.704 0.198 17835 4578 1 11 . 1 1 60 60 PRO C C 57 177.563 177.563 177.183 0.380 17835 4579 1 11 . 1 1 60 60 PRO CA C 57 64.541 64.541 64.606 -0.065 17835 4580 1 11 . 1 1 60 60 PRO CB C 57 31.768 31.768 31.721 0.047 17835 4581 1 11 . 1 1 61 61 ALA N N 58 120.004 120.004 119.977 0.027 17835 4582 1 11 . 1 1 61 61 ALA HA H 58 4.327 4.327 4.282 0.045 17835 4583 1 11 . 1 1 61 61 ALA C C 58 177.191 177.191 177.896 -0.705 17835 4584 1 11 . 1 1 61 61 ALA CA C 58 52.795 52.795 53.394 -0.599 17835 4585 1 11 . 1 1 61 61 ALA CB C 58 18.427 18.427 19.417 -0.990 17835 4586 1 11 . 1 1 61 61 ALA H H 58 8.397 8.397 8.221 0.176 17835 4587 1 11 . 1 1 62 62 VAL N N 59 116.635 116.635 113.403 3.232 17835 4588 1 11 . 1 1 62 62 VAL HA H 59 4.032 4.032 4.344 -0.312 17835 4589 1 11 . 1 1 62 62 VAL C C 59 174.238 174.238 174.910 -0.672 17835 4590 1 11 . 1 1 62 62 VAL CA C 59 63.741 63.741 62.892 0.849 17835 4591 1 11 . 1 1 62 62 VAL CB C 59 34.115 34.115 34.760 -0.645 17835 4592 1 11 . 1 1 62 62 VAL H H 59 8.080 8.080 7.640 0.440 17835 4593 1 11 . 1 1 63 63 VAL N N 60 117.153 117.153 118.317 -1.164 17835 4594 1 11 . 1 1 63 63 VAL HA H 60 4.911 4.911 4.727 0.184 17835 4595 1 11 . 1 1 63 63 VAL C C 60 172.258 172.258 173.746 -1.488 17835 4596 1 11 . 1 1 63 63 VAL CA C 60 59.006 59.006 60.169 -1.163 17835 4597 1 11 . 1 1 63 63 VAL CB C 60 35.461 35.461 36.321 -0.860 17835 4598 1 11 . 1 1 63 63 VAL H H 60 7.791 7.791 8.107 -0.316 17835 4599 1 11 . 1 1 64 64 ARG N N 61 129.658 129.658 121.471 8.187 17835 4600 1 11 . 1 1 64 64 ARG HA H 61 4.727 4.727 4.683 0.044 17835 4601 1 11 . 1 1 64 64 ARG C C 61 174.437 174.437 173.652 0.785 17835 4602 1 11 . 1 1 64 64 ARG CA C 61 54.117 54.117 55.376 -1.259 17835 4603 1 11 . 1 1 64 64 ARG CB C 61 32.754 32.754 34.328 -1.574 17835 4604 1 11 . 1 1 64 64 ARG H H 61 9.208 9.208 9.006 0.202 17835 4605 1 11 . 1 1 65 65 ILE N N 62 125.775 125.775 117.817 7.958 17835 4606 1 11 . 1 1 65 65 ILE HA H 62 4.917 4.917 5.342 -0.425 17835 4607 1 11 . 1 1 65 65 ILE C C 62 175.842 175.842 174.622 1.220 17835 4608 1 11 . 1 1 65 65 ILE CA C 62 59.545 59.545 59.804 -0.259 17835 4609 1 11 . 1 1 65 65 ILE CB C 62 39.645 39.645 42.340 -2.695 17835 4610 1 11 . 1 1 65 65 ILE H H 62 8.736 8.736 8.318 0.418 17835 4611 1 11 . 1 1 66 66 GLU N N 63 127.114 127.114 122.951 4.163 17835 4612 1 11 . 1 1 66 66 GLU HA H 63 4.677 4.677 4.742 -0.065 17835 4613 1 11 . 1 1 66 66 GLU C C 63 174.409 174.409 175.276 -0.867 17835 4614 1 11 . 1 1 66 66 GLU CA C 63 54.791 54.791 54.933 -0.142 17835 4615 1 11 . 1 1 66 66 GLU CB C 63 33.078 33.078 32.187 0.891 17835 4616 1 11 . 1 1 66 66 GLU H H 63 9.197 9.197 9.079 0.118 17835 4617 1 11 . 1 1 67 67 ALA N N 64 127.913 127.913 130.043 -2.130 17835 4618 1 11 . 1 1 67 67 ALA HA H 64 5.026 5.026 4.631 0.395 17835 4619 1 11 . 1 1 67 67 ALA C C 64 177.717 177.717 177.260 0.457 17835 4620 1 11 . 1 1 67 67 ALA CA C 64 51.070 51.070 51.711 -0.641 17835 4621 1 11 . 1 1 67 67 ALA CB C 64 19.550 19.550 19.001 0.549 17835 4622 1 11 . 1 1 67 67 ALA H H 64 8.779 8.779 8.625 0.154 17835 4623 1 11 . 1 1 68 68 SER N N 65 119.364 119.364 119.945 -0.581 17835 4624 1 11 . 1 1 68 68 SER HA H 65 4.665 4.665 4.480 0.185 17835 4625 1 11 . 1 1 68 68 SER C C 65 176.518 176.518 176.712 -0.194 17835 4626 1 11 . 1 1 68 68 SER CA C 65 57.096 57.096 56.891 0.205 17835 4627 1 11 . 1 1 68 68 SER CB C 65 65.234 65.234 64.326 0.909 17835 4628 1 11 . 1 1 68 68 SER H H 65 8.951 8.951 8.592 0.359 17835 4629 1 11 . 1 1 69 69 ARG N N 66 123.143 123.143 125.639 -2.496 17835 4630 1 11 . 1 1 69 69 ARG HA H 66 4.153 4.153 4.190 -0.037 17835 4631 1 11 . 1 1 69 69 ARG C C 66 177.356 177.356 176.574 0.782 17835 4632 1 11 . 1 1 69 69 ARG CA C 66 58.973 58.973 57.601 1.372 17835 4633 1 11 . 1 1 69 69 ARG CB C 66 29.659 29.659 29.584 0.075 17835 4634 1 11 . 1 1 69 69 ARG H H 66 9.075 9.075 8.905 0.170 17835 4635 1 11 . 1 1 70 70 SER N N 67 112.081 112.081 115.765 -3.684 17835 4636 1 11 . 1 1 70 70 SER HA H 67 4.416 4.416 4.412 0.004 17835 4637 1 11 . 1 1 70 70 SER C C 67 175.146 175.146 175.364 -0.218 17835 4638 1 11 . 1 1 70 70 SER CA C 67 58.413 58.413 58.260 0.153 17835 4639 1 11 . 1 1 70 70 SER CB C 67 63.477 63.477 63.521 -0.044 17835 4640 1 11 . 1 1 70 70 SER H H 67 8.083 8.083 7.718 0.365 17835 4641 1 11 . 1 1 71 71 GLY N N 68 110.519 110.519 109.496 1.023 17835 4642 1 11 . 1 1 71 71 GLY C C 68 174.116 174.116 173.539 0.577 17835 4643 1 11 . 1 1 71 71 GLY CA C 68 45.114 45.114 45.290 -0.176 17835 4644 1 11 . 1 1 71 71 GLY H H 68 7.974 7.974 7.831 0.143 17835 4645 1 11 . 1 1 72 72 GLU N N 69 120.663 120.663 119.037 1.626 17835 4646 1 11 . 1 1 72 72 GLU HA H 69 4.289 4.289 4.680 -0.391 17835 4647 1 11 . 1 1 72 72 GLU C C 69 175.352 175.352 174.358 0.994 17835 4648 1 11 . 1 1 72 72 GLU CA C 69 56.082 56.082 54.353 1.729 17835 4649 1 11 . 1 1 72 72 GLU CB C 69 30.517 30.517 32.915 -2.398 17835 4650 1 11 . 1 1 72 72 GLU H H 69 7.630 7.630 7.584 0.046 17835 4651 1 11 . 1 1 73 73 ILE N N 70 125.775 125.775 121.924 3.851 17835 4652 1 11 . 1 1 73 73 ILE HA H 70 4.367 4.367 4.929 -0.562 17835 4653 1 11 . 1 1 73 73 ILE C C 70 174.613 174.613 173.629 0.984 17835 4654 1 11 . 1 1 73 73 ILE CA C 70 60.876 60.876 59.486 1.390 17835 4655 1 11 . 1 1 73 73 ILE CB C 70 37.465 37.465 41.290 -3.825 17835 4656 1 11 . 1 1 73 73 ILE H H 70 8.753 8.753 8.457 0.296 17835 4657 1 11 . 1 1 74 74 VAL N N 71 128.300 128.300 127.850 0.450 17835 4658 1 11 . 1 1 74 74 VAL HA H 71 4.153 4.153 4.346 -0.193 17835 4659 1 11 . 1 1 74 74 VAL C C 71 173.544 173.544 174.714 -1.170 17835 4660 1 11 . 1 1 74 74 VAL CA C 71 61.736 61.736 60.740 0.996 17835 4661 1 11 . 1 1 74 74 VAL CB C 71 33.763 33.763 33.685 0.078 17835 4662 1 11 . 1 1 74 74 VAL H H 71 8.724 8.724 8.789 -0.065 17835 4663 1 11 . 1 1 75 75 CYS N N 72 122.823 122.823 124.197 -1.374 17835 4664 1 11 . 1 1 75 75 CYS HA H 72 4.948 4.948 5.021 -0.073 17835 4665 1 11 . 1 1 75 75 CYS C C 72 173.200 173.200 173.715 -0.515 17835 4666 1 11 . 1 1 75 75 CYS CA C 72 57.176 57.176 57.739 -0.563 17835 4667 1 11 . 1 1 75 75 CYS CB C 72 29.712 29.712 29.686 0.026 17835 4668 1 11 . 1 1 75 75 CYS H H 72 8.200 8.200 8.668 -0.468 17835 4669 1 11 . 1 1 76 76 TYR N N 73 119.584 119.584 119.293 0.291 17835 4670 1 11 . 1 1 76 76 TYR HA H 73 5.013 5.013 4.782 0.231 17835 4671 1 11 . 1 1 76 76 TYR C C 73 175.779 175.779 174.892 0.887 17835 4672 1 11 . 1 1 76 76 TYR CA C 73 56.289 56.289 57.021 -0.732 17835 4673 1 11 . 1 1 76 76 TYR CB C 73 42.505 42.505 43.115 -0.610 17835 4674 1 11 . 1 1 76 76 TYR H H 73 9.265 9.265 9.295 -0.030 17835 4675 1 11 . 1 1 77 77 ALA N N 74 122.844 122.844 121.900 0.944 17835 4676 1 11 . 1 1 77 77 ALA HA H 74 4.423 4.423 4.621 -0.198 17835 4677 1 11 . 1 1 77 77 ALA C C 74 177.907 177.907 175.786 2.121 17835 4678 1 11 . 1 1 77 77 ALA CA C 74 52.151 52.151 51.237 0.914 17835 4679 1 11 . 1 1 77 77 ALA CB C 74 18.915 18.915 20.989 -2.074 17835 4680 1 11 . 1 1 77 77 ALA H H 74 9.145 9.145 8.962 0.183 17835 4681 1 11 . 1 1 78 78 VAL N N 75 123.434 123.434 116.600 6.834 17835 4682 1 11 . 1 1 78 78 VAL HA H 75 3.826 3.826 4.452 -0.626 17835 4683 1 11 . 1 1 78 78 VAL C C 75 174.995 174.995 175.035 -0.040 17835 4684 1 11 . 1 1 78 78 VAL CA C 75 63.379 63.379 62.181 1.198 17835 4685 1 11 . 1 1 78 78 VAL CB C 75 32.715 32.715 35.073 -2.358 17835 4686 1 11 . 1 1 78 78 VAL H H 75 7.894 7.894 8.751 -0.857 17835 4687 1 12 . 1 1 5 5 LEU N N 2 124.907 124.907 122.067 2.840 17835 4688 1 12 . 1 1 5 5 LEU HA H 2 4.299 4.299 4.495 -0.196 17835 4689 1 12 . 1 1 5 5 LEU C C 2 177.892 177.892 177.664 0.228 17835 4690 1 12 . 1 1 5 5 LEU CA C 2 55.749 55.749 54.673 1.076 17835 4691 1 12 . 1 1 5 5 LEU CB C 2 42.001 42.001 42.664 -0.663 17835 4692 1 12 . 1 1 5 5 LEU H H 2 8.636 8.636 8.508 0.128 17835 4693 1 12 . 1 1 6 6 GLU N N 3 122.649 122.649 122.812 -0.163 17835 4694 1 12 . 1 1 6 6 GLU HA H 3 4.172 4.172 3.976 0.196 17835 4695 1 12 . 1 1 6 6 GLU C C 3 177.481 177.481 178.435 -0.954 17835 4696 1 12 . 1 1 6 6 GLU CA C 3 58.106 58.106 60.106 -2.000 17835 4697 1 12 . 1 1 6 6 GLU CB C 3 28.874 28.874 29.905 -1.031 17835 4698 1 12 . 1 1 6 6 GLU H H 3 8.594 8.594 9.042 -0.448 17835 4699 1 12 . 1 1 7 7 ALA N N 4 121.929 121.929 121.384 0.545 17835 4700 1 12 . 1 1 7 7 ALA HA H 4 3.944 3.944 4.197 -0.253 17835 4701 1 12 . 1 1 7 7 ALA C C 4 180.419 180.419 179.315 1.104 17835 4702 1 12 . 1 1 7 7 ALA CA C 4 55.686 55.686 55.051 0.635 17835 4703 1 12 . 1 1 7 7 ALA CB C 4 18.587 18.587 18.012 0.575 17835 4704 1 12 . 1 1 7 7 ALA H H 4 8.744 8.744 8.373 0.371 17835 4705 1 12 . 1 1 8 8 ASP N N 5 117.514 117.514 119.774 -2.260 17835 4706 1 12 . 1 1 8 8 ASP HA H 5 4.482 4.482 4.497 -0.015 17835 4707 1 12 . 1 1 8 8 ASP C C 5 178.010 178.010 178.157 -0.147 17835 4708 1 12 . 1 1 8 8 ASP CA C 5 56.603 56.603 56.781 -0.177 17835 4709 1 12 . 1 1 8 8 ASP CB C 5 40.353 40.353 40.648 -0.295 17835 4710 1 12 . 1 1 8 8 ASP H H 5 8.071 8.071 8.277 -0.206 17835 4711 1 12 . 1 1 9 9 LEU N N 6 122.640 122.640 121.367 1.273 17835 4712 1 12 . 1 1 9 9 LEU HA H 6 4.165 4.165 4.051 0.114 17835 4713 1 12 . 1 1 9 9 LEU C C 6 178.699 178.699 178.726 -0.027 17835 4714 1 12 . 1 1 9 9 LEU CA C 6 57.986 57.986 58.011 -0.025 17835 4715 1 12 . 1 1 9 9 LEU CB C 6 41.675 41.675 42.119 -0.444 17835 4716 1 12 . 1 1 9 9 LEU H H 6 7.713 7.713 8.257 -0.544 17835 4717 1 12 . 1 1 10 10 VAL N N 7 119.303 119.303 115.708 3.595 17835 4718 1 12 . 1 1 10 10 VAL HA H 7 4.025 4.025 3.809 0.216 17835 4719 1 12 . 1 1 10 10 VAL C C 7 178.570 178.570 177.853 0.717 17835 4720 1 12 . 1 1 10 10 VAL CA C 7 65.683 65.683 66.709 -1.026 17835 4721 1 12 . 1 1 10 10 VAL CB C 7 31.841 31.841 31.340 0.501 17835 4722 1 12 . 1 1 10 10 VAL H H 7 8.115 8.115 8.159 -0.044 17835 4723 1 12 . 1 1 11 11 SER N N 8 113.146 113.146 118.659 -5.513 17835 4724 1 12 . 1 1 11 11 SER HA H 8 4.042 4.042 4.278 -0.236 17835 4725 1 12 . 1 1 11 11 SER C C 8 176.364 176.364 176.761 -0.397 17835 4726 1 12 . 1 1 11 11 SER CA C 8 62.600 62.600 62.842 -0.242 17835 4727 1 12 . 1 1 11 11 SER CB C 8 61.596 61.596 63.090 -1.494 17835 4728 1 12 . 1 1 11 11 SER H H 8 7.796 7.796 8.127 -0.331 17835 4729 1 12 . 1 1 12 12 LYS N N 9 121.690 121.690 122.410 -0.720 17835 4730 1 12 . 1 1 12 12 LYS HA H 9 4.044 4.044 4.029 0.015 17835 4731 1 12 . 1 1 12 12 LYS C C 9 180.048 180.048 179.205 0.843 17835 4732 1 12 . 1 1 12 12 LYS CA C 9 60.002 60.002 59.664 0.338 17835 4733 1 12 . 1 1 12 12 LYS CB C 9 32.839 32.839 32.462 0.377 17835 4734 1 12 . 1 1 12 12 LYS H H 9 7.754 7.754 8.238 -0.484 17835 4735 1 12 . 1 1 13 13 MET N N 10 119.794 119.794 118.906 0.888 17835 4736 1 12 . 1 1 13 13 MET HA H 10 4.420 4.420 4.119 0.301 17835 4737 1 12 . 1 1 13 13 MET C C 10 178.151 178.151 178.323 -0.172 17835 4738 1 12 . 1 1 13 13 MET CA C 10 57.095 57.095 59.120 -2.025 17835 4739 1 12 . 1 1 13 13 MET CB C 10 31.599 31.599 32.660 -1.061 17835 4740 1 12 . 1 1 13 13 MET H H 10 8.451 8.451 8.337 0.114 17835 4741 1 12 . 1 1 14 14 LEU N N 11 122.035 122.035 122.133 -0.098 17835 4742 1 12 . 1 1 14 14 LEU HA H 11 4.207 4.207 4.122 0.085 17835 4743 1 12 . 1 1 14 14 LEU C C 11 178.526 178.526 178.013 0.513 17835 4744 1 12 . 1 1 14 14 LEU CA C 11 58.178 58.178 59.132 -0.954 17835 4745 1 12 . 1 1 14 14 LEU CB C 11 42.148 42.148 41.787 0.361 17835 4746 1 12 . 1 1 14 14 LEU H H 11 9.301 9.301 8.702 0.599 17835 4747 1 12 . 1 1 15 15 ARG N N 12 118.150 118.150 119.292 -1.142 17835 4748 1 12 . 1 1 15 15 ARG HA H 12 3.839 3.839 3.873 -0.034 17835 4749 1 12 . 1 1 15 15 ARG C C 12 177.951 177.951 178.368 -0.417 17835 4750 1 12 . 1 1 15 15 ARG CA C 12 60.500 60.500 59.282 1.218 17835 4751 1 12 . 1 1 15 15 ARG CB C 12 29.966 29.966 29.812 0.154 17835 4752 1 12 . 1 1 15 15 ARG H H 12 8.248 8.248 8.479 -0.231 17835 4753 1 12 . 1 1 16 16 ALA N N 13 120.291 120.291 122.076 -1.785 17835 4754 1 12 . 1 1 16 16 ALA HA H 13 4.150 4.150 4.046 0.104 17835 4755 1 12 . 1 1 16 16 ALA C C 13 181.072 181.072 179.660 1.412 17835 4756 1 12 . 1 1 16 16 ALA CA C 13 55.371 55.371 55.059 0.312 17835 4757 1 12 . 1 1 16 16 ALA CB C 13 17.845 17.845 18.463 -0.618 17835 4758 1 12 . 1 1 16 16 ALA H H 13 7.587 7.587 8.233 -0.646 17835 4759 1 12 . 1 1 17 17 VAL N N 14 119.183 119.183 119.149 0.034 17835 4760 1 12 . 1 1 17 17 VAL HA H 14 3.858 3.858 3.408 0.450 17835 4761 1 12 . 1 1 17 17 VAL C C 14 178.531 178.531 177.979 0.552 17835 4762 1 12 . 1 1 17 17 VAL CA C 14 65.552 65.552 66.568 -1.016 17835 4763 1 12 . 1 1 17 17 VAL CB C 14 32.190 32.190 30.999 1.191 17835 4764 1 12 . 1 1 17 17 VAL H H 14 8.324 8.324 8.189 0.135 17835 4765 1 12 . 1 1 18 18 LEU N N 15 120.498 120.498 119.324 1.174 17835 4766 1 12 . 1 1 18 18 LEU HA H 15 3.985 3.985 3.929 0.056 17835 4767 1 12 . 1 1 18 18 LEU C C 15 179.935 179.935 179.210 0.725 17835 4768 1 12 . 1 1 18 18 LEU CA C 15 58.474 58.474 57.818 0.656 17835 4769 1 12 . 1 1 18 18 LEU CB C 15 41.885 41.885 41.429 0.456 17835 4770 1 12 . 1 1 18 18 LEU H H 15 8.388 8.388 8.097 0.291 17835 4771 1 12 . 1 1 19 19 GLN N N 16 117.835 117.835 117.226 0.609 17835 4772 1 12 . 1 1 19 19 GLN HA H 16 3.981 3.981 4.091 -0.110 17835 4773 1 12 . 1 1 19 19 GLN C C 16 177.304 177.304 178.764 -1.460 17835 4774 1 12 . 1 1 19 19 GLN CA C 16 58.668 58.668 58.178 0.490 17835 4775 1 12 . 1 1 19 19 GLN CB C 16 28.274 28.274 28.466 -0.192 17835 4776 1 12 . 1 1 19 19 GLN H H 16 8.689 8.689 8.494 0.195 17835 4777 1 12 . 1 1 20 20 SER N N 17 111.043 111.043 115.098 -4.055 17835 4778 1 12 . 1 1 20 20 SER HA H 17 4.386 4.386 4.376 0.010 17835 4779 1 12 . 1 1 20 20 SER C C 17 173.630 173.630 175.936 -2.306 17835 4780 1 12 . 1 1 20 20 SER CA C 17 59.252 59.252 61.045 -1.793 17835 4781 1 12 . 1 1 20 20 SER CB C 17 63.600 63.600 63.661 -0.061 17835 4782 1 12 . 1 1 20 20 SER H H 17 7.461 7.461 7.951 -0.490 17835 4783 1 12 . 1 1 21 21 HIS N N 18 121.324 121.324 119.751 1.573 17835 4784 1 12 . 1 1 21 21 HIS HA H 18 4.824 4.824 4.850 -0.026 17835 4785 1 12 . 1 1 21 21 HIS C C 18 174.835 174.835 175.104 -0.269 17835 4786 1 12 . 1 1 21 21 HIS CA C 18 54.386 54.386 52.718 1.668 17835 4787 1 12 . 1 1 21 21 HIS CB C 18 28.657 28.657 27.770 0.886 17835 4788 1 12 . 1 1 21 21 HIS H H 18 7.692 7.692 8.098 -0.406 17835 4789 1 12 . 1 1 22 22 LYS N N 19 123.925 123.925 121.534 2.391 17835 4790 1 12 . 1 1 22 22 LYS HA H 19 4.161 4.161 4.211 -0.050 17835 4791 1 12 . 1 1 22 22 LYS C C 19 177.562 177.562 177.948 -0.386 17835 4792 1 12 . 1 1 22 22 LYS CA C 19 59.316 59.316 58.400 0.916 17835 4793 1 12 . 1 1 22 22 LYS CB C 19 32.202 32.202 31.941 0.261 17835 4794 1 12 . 1 1 22 22 LYS H H 19 8.809 8.809 7.912 0.897 17835 4795 1 12 . 1 1 23 23 ASN N N 20 115.473 115.473 116.587 -1.114 17835 4796 1 12 . 1 1 23 23 ASN HA H 20 5.073 5.073 4.672 0.401 17835 4797 1 12 . 1 1 23 23 ASN C C 20 174.783 174.783 175.871 -1.088 17835 4798 1 12 . 1 1 23 23 ASN CA C 20 52.835 52.835 53.642 -0.807 17835 4799 1 12 . 1 1 23 23 ASN CB C 20 38.540 38.540 38.978 -0.438 17835 4800 1 12 . 1 1 23 23 ASN H H 20 8.784 8.784 8.143 0.641 17835 4801 1 12 . 1 1 24 24 GLY N N 21 107.402 107.402 107.201 0.201 17835 4802 1 12 . 1 1 24 24 GLY C C 21 172.572 172.572 172.938 -0.366 17835 4803 1 12 . 1 1 24 24 GLY CA C 21 44.739 44.739 44.303 0.436 17835 4804 1 12 . 1 1 24 24 GLY H H 21 7.743 7.743 7.878 -0.135 17835 4805 1 12 . 1 1 25 25 ILE N N 22 117.796 117.796 115.463 2.333 17835 4806 1 12 . 1 1 25 25 ILE HA H 22 4.272 4.272 4.605 -0.333 17835 4807 1 12 . 1 1 25 25 ILE C C 22 175.452 175.452 175.268 0.184 17835 4808 1 12 . 1 1 25 25 ILE CA C 22 59.468 59.468 59.702 -0.234 17835 4809 1 12 . 1 1 25 25 ILE CB C 22 41.833 41.833 40.904 0.929 17835 4810 1 12 . 1 1 25 25 ILE H H 22 8.509 8.509 8.047 0.462 17835 4811 1 12 . 1 1 26 26 VAL N N 23 124.597 124.597 122.119 2.478 17835 4812 1 12 . 1 1 26 26 VAL HA H 23 4.585 4.585 4.450 0.135 17835 4813 1 12 . 1 1 26 26 VAL C C 23 177.566 177.566 177.664 -0.098 17835 4814 1 12 . 1 1 26 26 VAL CA C 23 62.227 62.227 61.930 0.297 17835 4815 1 12 . 1 1 26 26 VAL CB C 23 31.945 31.945 32.306 -0.361 17835 4816 1 12 . 1 1 26 26 VAL H H 23 8.524 8.524 8.359 0.165 17835 4817 1 12 . 1 1 27 27 LEU N N 24 124.858 124.858 120.808 4.050 17835 4818 1 12 . 1 1 27 27 LEU HA H 24 4.011 4.011 4.268 -0.257 17835 4819 1 12 . 1 1 27 27 LEU C C 24 175.569 175.569 176.672 -1.103 17835 4820 1 12 . 1 1 27 27 LEU CA C 24 60.394 60.394 58.697 1.697 17835 4821 1 12 . 1 1 27 27 LEU CB C 24 39.402 39.402 39.115 0.287 17835 4822 1 12 . 1 1 27 27 LEU H H 24 8.816 8.816 8.706 0.110 17835 4823 1 12 . 1 1 28 28 PRO HA H 25 4.401 4.401 4.340 0.061 17835 4824 1 12 . 1 1 28 28 PRO C C 25 177.600 177.600 179.276 -1.676 17835 4825 1 12 . 1 1 28 28 PRO CA C 25 65.549 65.549 65.119 0.430 17835 4826 1 12 . 1 1 28 28 PRO CB C 25 31.458 31.458 31.183 0.275 17835 4827 1 12 . 1 1 29 29 ARG N N 26 115.136 115.136 119.315 -4.179 17835 4828 1 12 . 1 1 29 29 ARG HA H 26 4.511 4.511 4.100 0.411 17835 4829 1 12 . 1 1 29 29 ARG C C 26 177.152 177.152 178.207 -1.055 17835 4830 1 12 . 1 1 29 29 ARG CA C 26 55.853 55.853 59.301 -3.448 17835 4831 1 12 . 1 1 29 29 ARG CB C 26 30.981 30.981 29.926 1.055 17835 4832 1 12 . 1 1 29 29 ARG H H 26 7.869 7.869 7.809 0.060 17835 4833 1 12 . 1 1 30 30 LEU N N 27 122.984 122.984 121.374 1.610 17835 4834 1 12 . 1 1 30 30 LEU HA H 27 3.842 3.842 3.973 -0.131 17835 4835 1 12 . 1 1 30 30 LEU C C 27 177.872 177.872 178.479 -0.607 17835 4836 1 12 . 1 1 30 30 LEU CA C 27 59.458 59.458 58.629 0.829 17835 4837 1 12 . 1 1 30 30 LEU CB C 27 42.326 42.326 41.386 0.940 17835 4838 1 12 . 1 1 30 30 LEU H H 27 7.870 7.870 8.606 -0.736 17835 4839 1 12 . 1 1 31 31 GLN N N 28 117.382 117.382 118.098 -0.716 17835 4840 1 12 . 1 1 31 31 GLN HA H 28 4.689 4.689 3.991 0.698 17835 4841 1 12 . 1 1 31 31 GLN C C 28 178.888 178.888 179.016 -0.128 17835 4842 1 12 . 1 1 31 31 GLN CA C 28 60.243 60.243 59.314 0.929 17835 4843 1 12 . 1 1 31 31 GLN CB C 28 27.811 27.811 28.541 -0.730 17835 4844 1 12 . 1 1 31 31 GLN H H 28 9.217 9.217 7.891 1.326 17835 4845 1 12 . 1 1 32 32 GLY N N 29 105.066 105.066 107.967 -2.901 17835 4846 1 12 . 1 1 32 32 GLY C C 29 177.579 177.579 176.469 1.110 17835 4847 1 12 . 1 1 32 32 GLY CA C 29 47.254 47.254 47.306 -0.052 17835 4848 1 12 . 1 1 32 32 GLY H H 29 8.680 8.680 8.312 0.367 17835 4849 1 12 . 1 1 33 33 GLU N N 30 121.593 121.593 122.937 -1.344 17835 4850 1 12 . 1 1 33 33 GLU HA H 30 4.274 4.274 4.217 0.057 17835 4851 1 12 . 1 1 33 33 GLU C C 30 179.316 179.316 178.888 0.428 17835 4852 1 12 . 1 1 33 33 GLU CA C 30 59.068 59.068 58.483 0.585 17835 4853 1 12 . 1 1 33 33 GLU CB C 30 29.077 29.077 29.367 -0.290 17835 4854 1 12 . 1 1 33 33 GLU H H 30 8.063 8.063 8.310 -0.247 17835 4855 1 12 . 1 1 34 34 TYR N N 31 123.143 123.143 122.061 1.082 17835 4856 1 12 . 1 1 34 34 TYR HA H 31 4.083 4.083 4.056 0.027 17835 4857 1 12 . 1 1 34 34 TYR C C 31 178.379 178.379 177.223 1.156 17835 4858 1 12 . 1 1 34 34 TYR CA C 31 62.406 62.406 61.788 0.618 17835 4859 1 12 . 1 1 34 34 TYR CB C 31 39.405 39.405 38.427 0.978 17835 4860 1 12 . 1 1 34 34 TYR H H 31 9.063 9.063 8.779 0.284 17835 4861 1 12 . 1 1 35 35 ARG N N 32 123.458 123.458 119.761 3.697 17835 4862 1 12 . 1 1 35 35 ARG HA H 32 4.281 4.281 3.949 0.332 17835 4863 1 12 . 1 1 35 35 ARG C C 32 180.186 180.186 179.006 1.180 17835 4864 1 12 . 1 1 35 35 ARG CA C 32 58.908 58.908 59.136 -0.228 17835 4865 1 12 . 1 1 35 35 ARG CB C 32 29.708 29.708 29.997 -0.289 17835 4866 1 12 . 1 1 35 35 ARG H H 32 9.321 9.321 8.568 0.753 17835 4867 1 12 . 1 1 36 36 SER N N 33 116.071 116.071 115.804 0.267 17835 4868 1 12 . 1 1 36 36 SER HA H 33 4.048 4.048 4.082 -0.034 17835 4869 1 12 . 1 1 36 36 SER C C 33 175.063 175.063 175.728 -0.665 17835 4870 1 12 . 1 1 36 36 SER CA C 33 61.856 61.856 61.077 0.779 17835 4871 1 12 . 1 1 36 36 SER CB C 33 62.779 62.779 63.025 -0.246 17835 4872 1 12 . 1 1 36 36 SER H H 33 8.078 8.078 8.010 0.068 17835 4873 1 12 . 1 1 37 37 LEU N N 34 118.571 118.571 122.033 -3.462 17835 4874 1 12 . 1 1 37 37 LEU HA H 34 4.342 4.342 4.221 0.121 17835 4875 1 12 . 1 1 37 37 LEU C C 34 178.400 178.400 178.149 0.251 17835 4876 1 12 . 1 1 37 37 LEU CA C 34 57.073 57.073 57.137 -0.064 17835 4877 1 12 . 1 1 37 37 LEU CB C 34 43.132 43.132 42.386 0.746 17835 4878 1 12 . 1 1 37 37 LEU H H 34 7.167 7.167 7.501 -0.334 17835 4879 1 12 . 1 1 38 38 THR N N 35 106.425 106.425 109.606 -3.181 17835 4880 1 12 . 1 1 38 38 THR HA H 35 4.163 4.163 4.178 -0.015 17835 4881 1 12 . 1 1 38 38 THR C C 35 176.259 176.259 175.850 0.409 17835 4882 1 12 . 1 1 38 38 THR CA C 35 62.637 62.637 62.448 0.189 17835 4883 1 12 . 1 1 38 38 THR CB C 35 71.659 71.659 69.350 2.309 17835 4884 1 12 . 1 1 38 38 THR H H 35 8.168 8.168 7.829 0.339 17835 4885 1 12 . 1 1 39 39 GLY N N 36 112.162 112.162 110.674 1.488 17835 4886 1 12 . 1 1 39 39 GLY C C 36 172.464 172.464 172.982 -0.518 17835 4887 1 12 . 1 1 39 39 GLY CA C 36 45.225 45.225 45.111 0.114 17835 4888 1 12 . 1 1 39 39 GLY H H 36 8.759 8.759 8.080 0.679 17835 4889 1 12 . 1 1 40 40 ASP N N 37 121.106 121.106 118.231 2.875 17835 4890 1 12 . 1 1 40 40 ASP HA H 37 4.733 4.733 4.720 0.013 17835 4891 1 12 . 1 1 40 40 ASP C C 37 173.861 173.861 174.047 -0.186 17835 4892 1 12 . 1 1 40 40 ASP CA C 37 52.159 52.159 51.749 0.410 17835 4893 1 12 . 1 1 40 40 ASP CB C 37 44.573 44.573 43.621 0.952 17835 4894 1 12 . 1 1 40 40 ASP H H 37 8.414 8.414 7.540 0.874 17835 4895 1 12 . 1 1 41 41 TRP N N 38 115.206 115.206 120.315 -5.109 17835 4896 1 12 . 1 1 41 41 TRP HA H 38 5.107 5.107 4.851 0.256 17835 4897 1 12 . 1 1 41 41 TRP C C 38 177.125 177.125 177.210 -0.085 17835 4898 1 12 . 1 1 41 41 TRP CA C 38 54.889 54.889 55.881 -0.992 17835 4899 1 12 . 1 1 41 41 TRP CB C 38 31.592 31.592 30.713 0.879 17835 4900 1 12 . 1 1 41 41 TRP H H 38 8.016 8.016 8.104 -0.088 17835 4901 1 12 . 1 1 42 42 ILE N N 39 123.723 123.723 122.732 0.991 17835 4902 1 12 . 1 1 42 42 ILE HA H 39 3.512 3.512 3.542 -0.030 17835 4903 1 12 . 1 1 42 42 ILE C C 39 177.199 177.199 175.542 1.657 17835 4904 1 12 . 1 1 42 42 ILE CA C 39 60.467 60.467 60.469 -0.002 17835 4905 1 12 . 1 1 42 42 ILE CB C 39 38.133 38.133 37.123 1.010 17835 4906 1 12 . 1 1 42 42 ILE H H 39 10.079 10.079 8.610 1.469 17835 4907 1 12 . 1 1 43 43 PRO HA H 40 4.600 4.600 4.726 -0.126 17835 4908 1 12 . 1 1 43 43 PRO C C 40 174.997 174.997 176.806 -1.809 17835 4909 1 12 . 1 1 43 43 PRO CA C 40 62.511 62.511 62.310 0.201 17835 4910 1 12 . 1 1 43 43 PRO CB C 40 27.857 27.857 29.400 -1.543 17835 4911 1 12 . 1 1 44 44 PHE N N 41 118.808 118.808 119.756 -0.948 17835 4912 1 12 . 1 1 44 44 PHE HA H 41 3.737 3.737 4.234 -0.497 17835 4913 1 12 . 1 1 44 44 PHE C C 41 175.891 175.891 176.951 -1.060 17835 4914 1 12 . 1 1 44 44 PHE CA C 41 60.911 60.911 62.170 -1.259 17835 4915 1 12 . 1 1 44 44 PHE CB C 41 38.412 38.412 37.480 0.932 17835 4916 1 12 . 1 1 44 44 PHE H H 41 7.647 7.647 7.890 -0.243 17835 4917 1 12 . 1 1 45 45 LYS N N 42 123.543 123.543 119.277 4.266 17835 4918 1 12 . 1 1 45 45 LYS HA H 42 4.763 4.763 4.241 0.522 17835 4919 1 12 . 1 1 45 45 LYS C C 42 181.828 181.828 178.720 3.108 17835 4920 1 12 . 1 1 45 45 LYS CA C 42 58.959 58.959 57.407 1.552 17835 4921 1 12 . 1 1 45 45 LYS CB C 42 31.599 31.599 31.181 0.418 17835 4922 1 12 . 1 1 45 45 LYS H H 42 7.387 7.387 7.320 0.067 17835 4923 1 12 . 1 1 46 46 GLN N N 43 123.171 123.171 118.535 4.636 17835 4924 1 12 . 1 1 46 46 GLN HA H 43 3.896 3.896 4.014 -0.118 17835 4925 1 12 . 1 1 46 46 GLN C C 43 178.167 178.167 177.919 0.248 17835 4926 1 12 . 1 1 46 46 GLN CA C 43 59.066 59.066 58.614 0.453 17835 4927 1 12 . 1 1 46 46 GLN CB C 43 27.702 27.702 28.172 -0.469 17835 4928 1 12 . 1 1 46 46 GLN H H 43 8.567 8.567 7.932 0.635 17835 4929 1 12 . 1 1 47 47 LEU N N 44 116.472 116.472 118.233 -1.761 17835 4930 1 12 . 1 1 47 47 LEU HA H 44 4.255 4.255 4.240 0.015 17835 4931 1 12 . 1 1 47 47 LEU C C 44 176.103 176.103 178.032 -1.929 17835 4932 1 12 . 1 1 47 47 LEU CA C 44 55.308 55.308 55.846 -0.538 17835 4933 1 12 . 1 1 47 47 LEU CB C 44 41.374 41.374 42.934 -1.560 17835 4934 1 12 . 1 1 47 47 LEU H H 44 7.544 7.544 8.206 -0.662 17835 4935 1 12 . 1 1 48 48 GLY N N 45 104.932 104.932 105.217 -0.285 17835 4936 1 12 . 1 1 48 48 GLY C C 45 173.844 173.844 174.453 -0.609 17835 4937 1 12 . 1 1 48 48 GLY CA C 45 44.826 44.826 44.386 0.440 17835 4938 1 12 . 1 1 48 48 GLY H H 45 7.741 7.741 7.802 -0.061 17835 4939 1 12 . 1 1 49 49 TYR N N 46 119.946 119.946 120.861 -0.915 17835 4940 1 12 . 1 1 49 49 TYR HA H 46 4.839 4.839 4.762 0.077 17835 4941 1 12 . 1 1 49 49 TYR C C 46 174.575 174.575 175.269 -0.694 17835 4942 1 12 . 1 1 49 49 TYR CA C 46 56.349 56.349 56.341 0.008 17835 4943 1 12 . 1 1 49 49 TYR CB C 46 41.464 41.464 38.194 3.270 17835 4944 1 12 . 1 1 49 49 TYR H H 46 8.332 8.332 8.083 0.249 17835 4945 1 12 . 1 1 50 50 PRO HA H 47 4.556 4.556 4.509 0.047 17835 4946 1 12 . 1 1 50 50 PRO C C 47 177.125 177.125 176.259 0.866 17835 4947 1 12 . 1 1 50 50 PRO CA C 47 64.115 64.115 64.874 -0.759 17835 4948 1 12 . 1 1 50 50 PRO CB C 47 32.152 32.152 31.901 0.251 17835 4949 1 12 . 1 1 51 51 THR N N 48 105.643 105.643 107.108 -1.465 17835 4950 1 12 . 1 1 51 51 THR HA H 48 4.129 4.129 4.360 -0.231 17835 4951 1 12 . 1 1 51 51 THR C C 48 173.270 173.270 174.789 -1.519 17835 4952 1 12 . 1 1 51 51 THR CA C 48 58.738 58.738 58.961 -0.223 17835 4953 1 12 . 1 1 51 51 THR CB C 48 73.254 73.254 71.848 1.406 17835 4954 1 12 . 1 1 51 51 THR H H 48 6.939 6.939 7.705 -0.766 17835 4955 1 12 . 1 1 52 52 LEU N N 49 121.743 121.743 122.363 -0.620 17835 4956 1 12 . 1 1 52 52 LEU HA H 49 3.325 3.325 3.753 -0.428 17835 4957 1 12 . 1 1 52 52 LEU C C 49 178.195 178.195 178.788 -0.593 17835 4958 1 12 . 1 1 52 52 LEU CA C 49 57.551 57.551 58.016 -0.465 17835 4959 1 12 . 1 1 52 52 LEU CB C 49 40.517 40.517 40.758 -0.241 17835 4960 1 12 . 1 1 52 52 LEU H H 49 7.849 7.849 8.298 -0.449 17835 4961 1 12 . 1 1 53 53 GLU N N 50 118.706 118.706 118.772 -0.066 17835 4962 1 12 . 1 1 53 53 GLU HA H 50 3.411 3.411 3.879 -0.468 17835 4963 1 12 . 1 1 53 53 GLU C C 50 176.853 176.853 178.482 -1.629 17835 4964 1 12 . 1 1 53 53 GLU CA C 50 60.720 60.720 59.404 1.316 17835 4965 1 12 . 1 1 53 53 GLU CB C 50 28.696 28.696 28.746 -0.050 17835 4966 1 12 . 1 1 53 53 GLU H H 50 8.981 8.981 8.738 0.243 17835 4967 1 12 . 1 1 54 54 ALA N N 51 119.673 119.673 122.709 -3.036 17835 4968 1 12 . 1 1 54 54 ALA HA H 51 3.885 3.885 4.023 -0.138 17835 4969 1 12 . 1 1 54 54 ALA C C 51 180.232 180.232 179.433 0.799 17835 4970 1 12 . 1 1 54 54 ALA CA C 51 55.127 55.127 55.030 0.097 17835 4971 1 12 . 1 1 54 54 ALA CB C 51 18.345 18.345 18.463 -0.118 17835 4972 1 12 . 1 1 54 54 ALA H H 51 8.001 8.001 7.576 0.425 17835 4973 1 12 . 1 1 55 55 TYR N N 52 117.474 117.474 120.297 -2.823 17835 4974 1 12 . 1 1 55 55 TYR HA H 52 2.898 2.898 3.315 -0.417 17835 4975 1 12 . 1 1 55 55 TYR C C 52 178.563 178.563 177.357 1.206 17835 4976 1 12 . 1 1 55 55 TYR CA C 52 59.876 59.876 61.230 -1.354 17835 4977 1 12 . 1 1 55 55 TYR CB C 52 37.365 37.365 38.226 -0.861 17835 4978 1 12 . 1 1 55 55 TYR H H 52 7.218 7.218 8.022 -0.804 17835 4979 1 12 . 1 1 56 56 LEU N N 53 121.106 121.106 117.747 3.359 17835 4980 1 12 . 1 1 56 56 LEU HA H 53 3.221 3.221 3.675 -0.454 17835 4981 1 12 . 1 1 56 56 LEU C C 53 179.706 179.706 179.261 0.445 17835 4982 1 12 . 1 1 56 56 LEU CA C 53 57.334 57.334 57.396 -0.062 17835 4983 1 12 . 1 1 56 56 LEU CB C 53 40.788 40.788 41.652 -0.864 17835 4984 1 12 . 1 1 56 56 LEU H H 53 8.440 8.440 7.933 0.507 17835 4985 1 12 . 1 1 57 57 ARG N N 54 116.303 116.303 120.067 -3.764 17835 4986 1 12 . 1 1 57 57 ARG HA H 54 3.722 3.722 4.006 -0.284 17835 4987 1 12 . 1 1 57 57 ARG C C 54 176.071 176.071 177.790 -1.719 17835 4988 1 12 . 1 1 57 57 ARG CA C 54 58.463 58.463 58.625 -0.162 17835 4989 1 12 . 1 1 57 57 ARG CB C 54 29.735 29.735 29.909 -0.174 17835 4990 1 12 . 1 1 57 57 ARG H H 54 7.998 7.998 8.615 -0.617 17835 4991 1 12 . 1 1 58 58 SER N N 55 115.365 115.365 112.972 2.393 17835 4992 1 12 . 1 1 58 58 SER HA H 55 4.357 4.357 4.385 -0.028 17835 4993 1 12 . 1 1 58 58 SER C C 55 173.970 173.970 173.866 0.104 17835 4994 1 12 . 1 1 58 58 SER CA C 55 59.762 59.762 59.969 -0.207 17835 4995 1 12 . 1 1 58 58 SER CB C 55 63.886 63.886 63.335 0.551 17835 4996 1 12 . 1 1 58 58 SER H H 55 7.491 7.491 7.601 -0.110 17835 4997 1 12 . 1 1 59 59 VAL N N 56 113.059 113.059 120.490 -7.431 17835 4998 1 12 . 1 1 59 59 VAL HA H 56 5.090 5.090 4.564 0.526 17835 4999 1 12 . 1 1 59 59 VAL C C 56 174.276 174.276 173.924 0.352 17835 5000 1 12 . 1 1 59 59 VAL CA C 56 58.444 58.444 58.726 -0.282 17835 5001 1 12 . 1 1 59 59 VAL CB C 56 31.559 31.559 32.677 -1.118 17835 5002 1 12 . 1 1 59 59 VAL H H 56 6.729 6.729 6.994 -0.265 17835 5003 1 12 . 1 1 60 60 PRO HA H 57 4.902 4.902 4.777 0.125 17835 5004 1 12 . 1 1 60 60 PRO C C 57 177.563 177.563 177.347 0.216 17835 5005 1 12 . 1 1 60 60 PRO CA C 57 64.541 64.541 64.516 0.025 17835 5006 1 12 . 1 1 60 60 PRO CB C 57 31.768 31.768 31.657 0.111 17835 5007 1 12 . 1 1 61 61 ALA N N 58 120.004 120.004 119.960 0.044 17835 5008 1 12 . 1 1 61 61 ALA HA H 58 4.327 4.327 4.285 0.042 17835 5009 1 12 . 1 1 61 61 ALA C C 58 177.191 177.191 177.884 -0.693 17835 5010 1 12 . 1 1 61 61 ALA CA C 58 52.795 52.795 53.362 -0.567 17835 5011 1 12 . 1 1 61 61 ALA CB C 58 18.427 18.427 19.417 -0.990 17835 5012 1 12 . 1 1 61 61 ALA H H 58 8.397 8.397 8.219 0.178 17835 5013 1 12 . 1 1 62 62 VAL N N 59 116.635 116.635 113.708 2.927 17835 5014 1 12 . 1 1 62 62 VAL HA H 59 4.032 4.032 4.307 -0.275 17835 5015 1 12 . 1 1 62 62 VAL C C 59 174.238 174.238 175.058 -0.820 17835 5016 1 12 . 1 1 62 62 VAL CA C 59 63.741 63.741 62.913 0.828 17835 5017 1 12 . 1 1 62 62 VAL CB C 59 34.115 34.115 34.895 -0.780 17835 5018 1 12 . 1 1 62 62 VAL H H 59 8.080 8.080 7.643 0.437 17835 5019 1 12 . 1 1 63 63 VAL N N 60 117.153 117.153 118.139 -0.986 17835 5020 1 12 . 1 1 63 63 VAL HA H 60 4.911 4.911 4.657 0.254 17835 5021 1 12 . 1 1 63 63 VAL C C 60 172.258 172.258 173.513 -1.255 17835 5022 1 12 . 1 1 63 63 VAL CA C 60 59.006 59.006 60.025 -1.019 17835 5023 1 12 . 1 1 63 63 VAL CB C 60 35.461 35.461 36.416 -0.955 17835 5024 1 12 . 1 1 63 63 VAL H H 60 7.791 7.791 8.125 -0.334 17835 5025 1 12 . 1 1 64 64 ARG N N 61 129.658 129.658 121.793 7.865 17835 5026 1 12 . 1 1 64 64 ARG HA H 61 4.727 4.727 4.657 0.070 17835 5027 1 12 . 1 1 64 64 ARG C C 61 174.437 174.437 173.520 0.917 17835 5028 1 12 . 1 1 64 64 ARG CA C 61 54.117 54.117 55.383 -1.266 17835 5029 1 12 . 1 1 64 64 ARG CB C 61 32.754 32.754 34.441 -1.687 17835 5030 1 12 . 1 1 64 64 ARG H H 61 9.208 9.208 8.911 0.297 17835 5031 1 12 . 1 1 65 65 ILE N N 62 125.775 125.775 117.949 7.826 17835 5032 1 12 . 1 1 65 65 ILE HA H 62 4.917 4.917 5.363 -0.446 17835 5033 1 12 . 1 1 65 65 ILE C C 62 175.842 175.842 174.535 1.307 17835 5034 1 12 . 1 1 65 65 ILE CA C 62 59.545 59.545 59.863 -0.318 17835 5035 1 12 . 1 1 65 65 ILE CB C 62 39.645 39.645 42.420 -2.775 17835 5036 1 12 . 1 1 65 65 ILE H H 62 8.736 8.736 8.309 0.427 17835 5037 1 12 . 1 1 66 66 GLU N N 63 127.114 127.114 122.984 4.130 17835 5038 1 12 . 1 1 66 66 GLU HA H 63 4.677 4.677 4.726 -0.049 17835 5039 1 12 . 1 1 66 66 GLU C C 63 174.409 174.409 175.396 -0.987 17835 5040 1 12 . 1 1 66 66 GLU CA C 63 54.791 54.791 55.265 -0.474 17835 5041 1 12 . 1 1 66 66 GLU CB C 63 33.078 33.078 32.611 0.467 17835 5042 1 12 . 1 1 66 66 GLU H H 63 9.197 9.197 9.069 0.128 17835 5043 1 12 . 1 1 67 67 ALA N N 64 127.913 127.913 130.165 -2.252 17835 5044 1 12 . 1 1 67 67 ALA HA H 64 5.026 5.026 4.616 0.410 17835 5045 1 12 . 1 1 67 67 ALA C C 64 177.717 177.717 177.155 0.562 17835 5046 1 12 . 1 1 67 67 ALA CA C 64 51.070 51.070 51.899 -0.829 17835 5047 1 12 . 1 1 67 67 ALA CB C 64 19.550 19.550 18.791 0.759 17835 5048 1 12 . 1 1 67 67 ALA H H 64 8.779 8.779 8.677 0.102 17835 5049 1 12 . 1 1 68 68 SER N N 65 119.364 119.364 120.057 -0.693 17835 5050 1 12 . 1 1 68 68 SER HA H 65 4.665 4.665 4.593 0.072 17835 5051 1 12 . 1 1 68 68 SER C C 65 176.518 176.518 176.793 -0.275 17835 5052 1 12 . 1 1 68 68 SER CA C 65 57.096 57.096 56.700 0.396 17835 5053 1 12 . 1 1 68 68 SER CB C 65 65.234 65.234 64.228 1.006 17835 5054 1 12 . 1 1 68 68 SER H H 65 8.951 8.951 8.660 0.291 17835 5055 1 12 . 1 1 69 69 ARG N N 66 123.143 123.143 124.914 -1.771 17835 5056 1 12 . 1 1 69 69 ARG HA H 66 4.153 4.153 4.120 0.033 17835 5057 1 12 . 1 1 69 69 ARG C C 66 177.356 177.356 177.020 0.336 17835 5058 1 12 . 1 1 69 69 ARG CA C 66 58.973 58.973 57.991 0.982 17835 5059 1 12 . 1 1 69 69 ARG CB C 66 29.659 29.659 29.954 -0.295 17835 5060 1 12 . 1 1 69 69 ARG H H 66 9.075 9.075 8.809 0.266 17835 5061 1 12 . 1 1 70 70 SER N N 67 112.081 112.081 115.375 -3.294 17835 5062 1 12 . 1 1 70 70 SER HA H 67 4.416 4.416 4.284 0.132 17835 5063 1 12 . 1 1 70 70 SER C C 67 175.146 175.146 175.423 -0.277 17835 5064 1 12 . 1 1 70 70 SER CA C 67 58.413 58.413 58.830 -0.417 17835 5065 1 12 . 1 1 70 70 SER CB C 67 63.477 63.477 63.409 0.068 17835 5066 1 12 . 1 1 70 70 SER H H 67 8.083 8.083 7.680 0.403 17835 5067 1 12 . 1 1 71 71 GLY N N 68 110.519 110.519 109.086 1.433 17835 5068 1 12 . 1 1 71 71 GLY C C 68 174.116 174.116 173.558 0.558 17835 5069 1 12 . 1 1 71 71 GLY CA C 68 45.114 45.114 45.197 -0.083 17835 5070 1 12 . 1 1 71 71 GLY H H 68 7.974 7.974 7.887 0.087 17835 5071 1 12 . 1 1 72 72 GLU N N 69 120.663 120.663 118.903 1.760 17835 5072 1 12 . 1 1 72 72 GLU HA H 69 4.289 4.289 4.658 -0.369 17835 5073 1 12 . 1 1 72 72 GLU C C 69 175.352 175.352 174.079 1.273 17835 5074 1 12 . 1 1 72 72 GLU CA C 69 56.082 56.082 54.650 1.432 17835 5075 1 12 . 1 1 72 72 GLU CB C 69 30.517 30.517 33.005 -2.488 17835 5076 1 12 . 1 1 72 72 GLU H H 69 7.630 7.630 7.428 0.202 17835 5077 1 12 . 1 1 73 73 ILE N N 70 125.775 125.775 122.380 3.395 17835 5078 1 12 . 1 1 73 73 ILE HA H 70 4.367 4.367 4.979 -0.612 17835 5079 1 12 . 1 1 73 73 ILE C C 70 174.613 174.613 173.760 0.853 17835 5080 1 12 . 1 1 73 73 ILE CA C 70 60.876 60.876 59.379 1.497 17835 5081 1 12 . 1 1 73 73 ILE CB C 70 37.465 37.465 41.217 -3.752 17835 5082 1 12 . 1 1 73 73 ILE H H 70 8.753 8.753 8.416 0.337 17835 5083 1 12 . 1 1 74 74 VAL N N 71 128.300 128.300 128.986 -0.686 17835 5084 1 12 . 1 1 74 74 VAL HA H 71 4.153 4.153 4.318 -0.165 17835 5085 1 12 . 1 1 74 74 VAL C C 71 173.544 173.544 174.689 -1.145 17835 5086 1 12 . 1 1 74 74 VAL CA C 71 61.736 61.736 61.041 0.695 17835 5087 1 12 . 1 1 74 74 VAL CB C 71 33.763 33.763 33.120 0.643 17835 5088 1 12 . 1 1 74 74 VAL H H 71 8.724 8.724 8.785 -0.061 17835 5089 1 12 . 1 1 75 75 CYS N N 72 122.823 122.823 124.588 -1.765 17835 5090 1 12 . 1 1 75 75 CYS HA H 72 4.948 4.948 5.068 -0.120 17835 5091 1 12 . 1 1 75 75 CYS C C 72 173.200 173.200 173.694 -0.494 17835 5092 1 12 . 1 1 75 75 CYS CA C 72 57.176 57.176 57.686 -0.510 17835 5093 1 12 . 1 1 75 75 CYS CB C 72 29.712 29.712 29.814 -0.102 17835 5094 1 12 . 1 1 75 75 CYS H H 72 8.200 8.200 8.713 -0.513 17835 5095 1 12 . 1 1 76 76 TYR N N 73 119.584 119.584 119.312 0.272 17835 5096 1 12 . 1 1 76 76 TYR HA H 73 5.013 5.013 4.784 0.229 17835 5097 1 12 . 1 1 76 76 TYR C C 73 175.779 175.779 174.895 0.884 17835 5098 1 12 . 1 1 76 76 TYR CA C 73 56.289 56.289 57.054 -0.765 17835 5099 1 12 . 1 1 76 76 TYR CB C 73 42.505 42.505 43.151 -0.646 17835 5100 1 12 . 1 1 76 76 TYR H H 73 9.265 9.265 9.302 -0.037 17835 5101 1 12 . 1 1 77 77 ALA N N 74 122.844 122.844 121.793 1.051 17835 5102 1 12 . 1 1 77 77 ALA HA H 74 4.423 4.423 4.611 -0.188 17835 5103 1 12 . 1 1 77 77 ALA C C 74 177.907 177.907 175.720 2.187 17835 5104 1 12 . 1 1 77 77 ALA CA C 74 52.151 52.151 51.316 0.835 17835 5105 1 12 . 1 1 77 77 ALA CB C 74 18.915 18.915 20.729 -1.814 17835 5106 1 12 . 1 1 77 77 ALA H H 74 9.145 9.145 8.911 0.234 17835 5107 1 12 . 1 1 78 78 VAL N N 75 123.434 123.434 117.142 6.292 17835 5108 1 12 . 1 1 78 78 VAL HA H 75 3.826 3.826 4.350 -0.524 17835 5109 1 12 . 1 1 78 78 VAL C C 75 174.995 174.995 174.711 0.284 17835 5110 1 12 . 1 1 78 78 VAL CA C 75 63.379 63.379 62.099 1.280 17835 5111 1 12 . 1 1 78 78 VAL CB C 75 32.715 32.715 35.174 -2.459 17835 5112 1 12 . 1 1 78 78 VAL H H 75 7.894 7.894 8.634 -0.740 17835 5113 1 13 . 1 1 5 5 LEU N N 2 124.907 124.907 122.411 2.496 17835 5114 1 13 . 1 1 5 5 LEU HA H 2 4.299 4.299 4.416 -0.117 17835 5115 1 13 . 1 1 5 5 LEU C C 2 177.892 177.892 178.055 -0.163 17835 5116 1 13 . 1 1 5 5 LEU CA C 2 55.749 55.749 54.644 1.105 17835 5117 1 13 . 1 1 5 5 LEU CB C 2 42.001 42.001 42.552 -0.551 17835 5118 1 13 . 1 1 5 5 LEU H H 2 8.636 8.636 8.557 0.079 17835 5119 1 13 . 1 1 6 6 GLU N N 3 122.649 122.649 122.342 0.307 17835 5120 1 13 . 1 1 6 6 GLU HA H 3 4.172 4.172 3.963 0.209 17835 5121 1 13 . 1 1 6 6 GLU C C 3 177.481 177.481 178.492 -1.011 17835 5122 1 13 . 1 1 6 6 GLU CA C 3 58.106 58.106 59.946 -1.840 17835 5123 1 13 . 1 1 6 6 GLU CB C 3 28.874 28.874 29.782 -0.908 17835 5124 1 13 . 1 1 6 6 GLU H H 3 8.594 8.594 8.992 -0.398 17835 5125 1 13 . 1 1 7 7 ALA N N 4 121.929 121.929 121.267 0.662 17835 5126 1 13 . 1 1 7 7 ALA HA H 4 3.944 3.944 4.166 -0.222 17835 5127 1 13 . 1 1 7 7 ALA C C 4 180.419 180.419 179.284 1.135 17835 5128 1 13 . 1 1 7 7 ALA CA C 4 55.686 55.686 55.127 0.559 17835 5129 1 13 . 1 1 7 7 ALA CB C 4 18.587 18.587 18.041 0.546 17835 5130 1 13 . 1 1 7 7 ALA H H 4 8.744 8.744 8.464 0.280 17835 5131 1 13 . 1 1 8 8 ASP N N 5 117.514 117.514 119.739 -2.225 17835 5132 1 13 . 1 1 8 8 ASP HA H 5 4.482 4.482 4.530 -0.048 17835 5133 1 13 . 1 1 8 8 ASP C C 5 178.010 178.010 178.172 -0.162 17835 5134 1 13 . 1 1 8 8 ASP CA C 5 56.603 56.603 56.762 -0.159 17835 5135 1 13 . 1 1 8 8 ASP CB C 5 40.353 40.353 40.713 -0.360 17835 5136 1 13 . 1 1 8 8 ASP H H 5 8.071 8.071 8.272 -0.201 17835 5137 1 13 . 1 1 9 9 LEU N N 6 122.640 122.640 121.621 1.019 17835 5138 1 13 . 1 1 9 9 LEU HA H 6 4.165 4.165 4.057 0.108 17835 5139 1 13 . 1 1 9 9 LEU C C 6 178.699 178.699 178.734 -0.035 17835 5140 1 13 . 1 1 9 9 LEU CA C 6 57.986 57.986 58.006 -0.020 17835 5141 1 13 . 1 1 9 9 LEU CB C 6 41.675 41.675 42.141 -0.466 17835 5142 1 13 . 1 1 9 9 LEU H H 6 7.713 7.713 8.422 -0.709 17835 5143 1 13 . 1 1 10 10 VAL N N 7 119.303 119.303 115.442 3.861 17835 5144 1 13 . 1 1 10 10 VAL HA H 7 4.025 4.025 3.825 0.200 17835 5145 1 13 . 1 1 10 10 VAL C C 7 178.570 178.570 177.858 0.712 17835 5146 1 13 . 1 1 10 10 VAL CA C 7 65.683 65.683 66.650 -0.967 17835 5147 1 13 . 1 1 10 10 VAL CB C 7 31.841 31.841 31.370 0.471 17835 5148 1 13 . 1 1 10 10 VAL H H 7 8.115 8.115 8.167 -0.052 17835 5149 1 13 . 1 1 11 11 SER N N 8 113.146 113.146 118.647 -5.501 17835 5150 1 13 . 1 1 11 11 SER HA H 8 4.042 4.042 4.228 -0.186 17835 5151 1 13 . 1 1 11 11 SER C C 8 176.364 176.364 176.737 -0.373 17835 5152 1 13 . 1 1 11 11 SER CA C 8 62.600 62.600 63.074 -0.474 17835 5153 1 13 . 1 1 11 11 SER CB C 8 61.596 61.596 63.020 -1.424 17835 5154 1 13 . 1 1 11 11 SER H H 8 7.796 7.796 8.026 -0.230 17835 5155 1 13 . 1 1 12 12 LYS N N 9 121.690 121.690 121.624 0.066 17835 5156 1 13 . 1 1 12 12 LYS HA H 9 4.044 4.044 3.997 0.047 17835 5157 1 13 . 1 1 12 12 LYS C C 9 180.048 180.048 178.820 1.228 17835 5158 1 13 . 1 1 12 12 LYS CA C 9 60.002 60.002 59.619 0.383 17835 5159 1 13 . 1 1 12 12 LYS CB C 9 32.839 32.839 32.378 0.461 17835 5160 1 13 . 1 1 12 12 LYS H H 9 7.754 7.754 8.373 -0.619 17835 5161 1 13 . 1 1 13 13 MET N N 10 119.794 119.794 118.953 0.841 17835 5162 1 13 . 1 1 13 13 MET HA H 10 4.420 4.420 4.130 0.290 17835 5163 1 13 . 1 1 13 13 MET C C 10 178.151 178.151 178.281 -0.130 17835 5164 1 13 . 1 1 13 13 MET CA C 10 57.095 57.095 59.087 -1.992 17835 5165 1 13 . 1 1 13 13 MET CB C 10 31.599 31.599 32.668 -1.069 17835 5166 1 13 . 1 1 13 13 MET H H 10 8.451 8.451 8.299 0.152 17835 5167 1 13 . 1 1 14 14 LEU N N 11 122.035 122.035 122.217 -0.182 17835 5168 1 13 . 1 1 14 14 LEU HA H 11 4.207 4.207 4.118 0.089 17835 5169 1 13 . 1 1 14 14 LEU C C 11 178.526 178.526 177.972 0.554 17835 5170 1 13 . 1 1 14 14 LEU CA C 11 58.178 58.178 59.137 -0.959 17835 5171 1 13 . 1 1 14 14 LEU CB C 11 42.148 42.148 41.777 0.371 17835 5172 1 13 . 1 1 14 14 LEU H H 11 9.301 9.301 8.638 0.663 17835 5173 1 13 . 1 1 15 15 ARG N N 12 118.150 118.150 119.311 -1.161 17835 5174 1 13 . 1 1 15 15 ARG HA H 12 3.839 3.839 3.868 -0.029 17835 5175 1 13 . 1 1 15 15 ARG C C 12 177.951 177.951 178.399 -0.448 17835 5176 1 13 . 1 1 15 15 ARG CA C 12 60.500 60.500 59.267 1.233 17835 5177 1 13 . 1 1 15 15 ARG CB C 12 29.966 29.966 29.808 0.157 17835 5178 1 13 . 1 1 15 15 ARG H H 12 8.248 8.248 8.474 -0.226 17835 5179 1 13 . 1 1 16 16 ALA N N 13 120.291 120.291 122.039 -1.748 17835 5180 1 13 . 1 1 16 16 ALA HA H 13 4.150 4.150 4.118 0.032 17835 5181 1 13 . 1 1 16 16 ALA C C 13 181.072 181.072 179.919 1.153 17835 5182 1 13 . 1 1 16 16 ALA CA C 13 55.371 55.371 54.979 0.392 17835 5183 1 13 . 1 1 16 16 ALA CB C 13 17.845 17.845 18.164 -0.319 17835 5184 1 13 . 1 1 16 16 ALA H H 13 7.587 7.587 8.178 -0.591 17835 5185 1 13 . 1 1 17 17 VAL N N 14 119.183 119.183 119.011 0.172 17835 5186 1 13 . 1 1 17 17 VAL HA H 14 3.858 3.858 3.393 0.465 17835 5187 1 13 . 1 1 17 17 VAL C C 14 178.531 178.531 178.022 0.509 17835 5188 1 13 . 1 1 17 17 VAL CA C 14 65.552 65.552 66.613 -1.061 17835 5189 1 13 . 1 1 17 17 VAL CB C 14 32.190 32.190 30.983 1.207 17835 5190 1 13 . 1 1 17 17 VAL H H 14 8.324 8.324 8.137 0.187 17835 5191 1 13 . 1 1 18 18 LEU N N 15 120.498 120.498 119.087 1.411 17835 5192 1 13 . 1 1 18 18 LEU HA H 15 3.985 3.985 3.932 0.053 17835 5193 1 13 . 1 1 18 18 LEU C C 15 179.935 179.935 179.172 0.763 17835 5194 1 13 . 1 1 18 18 LEU CA C 15 58.474 58.474 57.751 0.723 17835 5195 1 13 . 1 1 18 18 LEU CB C 15 41.885 41.885 41.363 0.522 17835 5196 1 13 . 1 1 18 18 LEU H H 15 8.388 8.388 8.084 0.304 17835 5197 1 13 . 1 1 19 19 GLN N N 16 117.835 117.835 117.420 0.415 17835 5198 1 13 . 1 1 19 19 GLN HA H 16 3.981 3.981 4.063 -0.082 17835 5199 1 13 . 1 1 19 19 GLN C C 16 177.304 177.304 178.951 -1.647 17835 5200 1 13 . 1 1 19 19 GLN CA C 16 58.668 58.668 58.302 0.366 17835 5201 1 13 . 1 1 19 19 GLN CB C 16 28.274 28.274 28.425 -0.151 17835 5202 1 13 . 1 1 19 19 GLN H H 16 8.689 8.689 8.258 0.431 17835 5203 1 13 . 1 1 20 20 SER N N 17 111.043 111.043 116.216 -5.173 17835 5204 1 13 . 1 1 20 20 SER HA H 17 4.386 4.386 4.322 0.064 17835 5205 1 13 . 1 1 20 20 SER C C 17 173.630 173.630 176.537 -2.907 17835 5206 1 13 . 1 1 20 20 SER CA C 17 59.252 59.252 61.116 -1.864 17835 5207 1 13 . 1 1 20 20 SER CB C 17 63.600 63.600 63.642 -0.042 17835 5208 1 13 . 1 1 20 20 SER H H 17 7.461 7.461 8.059 -0.598 17835 5209 1 13 . 1 1 21 21 HIS N N 18 121.324 121.324 120.201 1.123 17835 5210 1 13 . 1 1 21 21 HIS HA H 18 4.824 4.824 4.841 -0.017 17835 5211 1 13 . 1 1 21 21 HIS C C 18 174.835 174.835 175.129 -0.294 17835 5212 1 13 . 1 1 21 21 HIS CA C 18 54.386 54.386 52.616 1.770 17835 5213 1 13 . 1 1 21 21 HIS CB C 18 28.657 28.657 27.565 1.092 17835 5214 1 13 . 1 1 21 21 HIS H H 18 7.692 7.692 8.193 -0.501 17835 5215 1 13 . 1 1 22 22 LYS N N 19 123.925 123.925 120.879 3.046 17835 5216 1 13 . 1 1 22 22 LYS HA H 19 4.161 4.161 4.127 0.034 17835 5217 1 13 . 1 1 22 22 LYS C C 19 177.562 177.562 177.651 -0.089 17835 5218 1 13 . 1 1 22 22 LYS CA C 19 59.316 59.316 58.518 0.798 17835 5219 1 13 . 1 1 22 22 LYS CB C 19 32.202 32.202 32.122 0.080 17835 5220 1 13 . 1 1 22 22 LYS H H 19 8.809 8.809 7.611 1.198 17835 5221 1 13 . 1 1 23 23 ASN N N 20 115.473 115.473 116.188 -0.715 17835 5222 1 13 . 1 1 23 23 ASN HA H 20 5.073 5.073 4.625 0.448 17835 5223 1 13 . 1 1 23 23 ASN C C 20 174.783 174.783 175.429 -0.646 17835 5224 1 13 . 1 1 23 23 ASN CA C 20 52.835 52.835 54.229 -1.394 17835 5225 1 13 . 1 1 23 23 ASN CB C 20 38.540 38.540 39.053 -0.513 17835 5226 1 13 . 1 1 23 23 ASN H H 20 8.784 8.784 8.278 0.506 17835 5227 1 13 . 1 1 24 24 GLY N N 21 107.402 107.402 106.290 1.112 17835 5228 1 13 . 1 1 24 24 GLY C C 21 172.572 172.572 173.180 -0.608 17835 5229 1 13 . 1 1 24 24 GLY CA C 21 44.739 44.739 44.246 0.493 17835 5230 1 13 . 1 1 24 24 GLY H H 21 7.743 7.743 7.795 -0.052 17835 5231 1 13 . 1 1 25 25 ILE N N 22 117.796 117.796 116.073 1.723 17835 5232 1 13 . 1 1 25 25 ILE HA H 22 4.272 4.272 4.584 -0.312 17835 5233 1 13 . 1 1 25 25 ILE C C 22 175.452 175.452 175.092 0.360 17835 5234 1 13 . 1 1 25 25 ILE CA C 22 59.468 59.468 59.666 -0.198 17835 5235 1 13 . 1 1 25 25 ILE CB C 22 41.833 41.833 40.959 0.874 17835 5236 1 13 . 1 1 25 25 ILE H H 22 8.509 8.509 8.077 0.432 17835 5237 1 13 . 1 1 26 26 VAL N N 23 124.597 124.597 122.159 2.438 17835 5238 1 13 . 1 1 26 26 VAL HA H 23 4.585 4.585 4.539 0.046 17835 5239 1 13 . 1 1 26 26 VAL C C 23 177.566 177.566 177.543 0.023 17835 5240 1 13 . 1 1 26 26 VAL CA C 23 62.227 62.227 62.298 -0.071 17835 5241 1 13 . 1 1 26 26 VAL CB C 23 31.945 31.945 32.132 -0.187 17835 5242 1 13 . 1 1 26 26 VAL H H 23 8.524 8.524 8.307 0.217 17835 5243 1 13 . 1 1 27 27 LEU N N 24 124.858 124.858 122.182 2.676 17835 5244 1 13 . 1 1 27 27 LEU HA H 24 4.011 4.011 4.387 -0.376 17835 5245 1 13 . 1 1 27 27 LEU C C 24 175.569 175.569 176.574 -1.005 17835 5246 1 13 . 1 1 27 27 LEU CA C 24 60.394 60.394 59.022 1.373 17835 5247 1 13 . 1 1 27 27 LEU CB C 24 39.402 39.402 38.922 0.480 17835 5248 1 13 . 1 1 27 27 LEU H H 24 8.816 8.816 8.228 0.588 17835 5249 1 13 . 1 1 28 28 PRO HA H 25 4.401 4.401 4.275 0.126 17835 5250 1 13 . 1 1 28 28 PRO C C 25 177.600 177.600 179.199 -1.599 17835 5251 1 13 . 1 1 28 28 PRO CA C 25 65.549 65.549 65.729 -0.180 17835 5252 1 13 . 1 1 28 28 PRO CB C 25 31.458 31.458 30.878 0.580 17835 5253 1 13 . 1 1 29 29 ARG N N 26 115.136 115.136 119.284 -4.148 17835 5254 1 13 . 1 1 29 29 ARG HA H 26 4.511 4.511 4.113 0.398 17835 5255 1 13 . 1 1 29 29 ARG C C 26 177.152 177.152 178.177 -1.025 17835 5256 1 13 . 1 1 29 29 ARG CA C 26 55.853 55.853 59.228 -3.375 17835 5257 1 13 . 1 1 29 29 ARG CB C 26 30.981 30.981 29.994 0.987 17835 5258 1 13 . 1 1 29 29 ARG H H 26 7.869 7.869 7.778 0.091 17835 5259 1 13 . 1 1 30 30 LEU N N 27 122.984 122.984 121.891 1.093 17835 5260 1 13 . 1 1 30 30 LEU HA H 27 3.842 3.842 3.970 -0.128 17835 5261 1 13 . 1 1 30 30 LEU C C 27 177.872 177.872 178.453 -0.581 17835 5262 1 13 . 1 1 30 30 LEU CA C 27 59.458 59.458 58.602 0.856 17835 5263 1 13 . 1 1 30 30 LEU CB C 27 42.326 42.326 41.301 1.025 17835 5264 1 13 . 1 1 30 30 LEU H H 27 7.870 7.870 8.650 -0.780 17835 5265 1 13 . 1 1 31 31 GLN N N 28 117.382 117.382 117.673 -0.291 17835 5266 1 13 . 1 1 31 31 GLN HA H 28 4.689 4.689 4.012 0.677 17835 5267 1 13 . 1 1 31 31 GLN C C 28 178.888 178.888 179.085 -0.197 17835 5268 1 13 . 1 1 31 31 GLN CA C 28 60.243 60.243 59.697 0.546 17835 5269 1 13 . 1 1 31 31 GLN CB C 28 27.811 27.811 28.373 -0.562 17835 5270 1 13 . 1 1 31 31 GLN H H 28 9.217 9.217 7.975 1.242 17835 5271 1 13 . 1 1 32 32 GLY N N 29 105.066 105.066 107.714 -2.648 17835 5272 1 13 . 1 1 32 32 GLY C C 29 177.579 177.579 176.553 1.026 17835 5273 1 13 . 1 1 32 32 GLY CA C 29 47.254 47.254 47.276 -0.022 17835 5274 1 13 . 1 1 32 32 GLY H H 29 8.680 8.680 8.212 0.468 17835 5275 1 13 . 1 1 33 33 GLU N N 30 121.593 121.593 122.977 -1.384 17835 5276 1 13 . 1 1 33 33 GLU HA H 30 4.274 4.274 4.197 0.077 17835 5277 1 13 . 1 1 33 33 GLU C C 30 179.316 179.316 178.886 0.430 17835 5278 1 13 . 1 1 33 33 GLU CA C 30 59.068 59.068 58.551 0.517 17835 5279 1 13 . 1 1 33 33 GLU CB C 30 29.077 29.077 29.375 -0.298 17835 5280 1 13 . 1 1 33 33 GLU H H 30 8.063 8.063 8.231 -0.168 17835 5281 1 13 . 1 1 34 34 TYR N N 31 123.143 123.143 121.998 1.145 17835 5282 1 13 . 1 1 34 34 TYR HA H 31 4.083 4.083 4.045 0.038 17835 5283 1 13 . 1 1 34 34 TYR C C 31 178.379 178.379 177.211 1.168 17835 5284 1 13 . 1 1 34 34 TYR CA C 31 62.406 62.406 61.765 0.641 17835 5285 1 13 . 1 1 34 34 TYR CB C 31 39.405 39.405 38.411 0.994 17835 5286 1 13 . 1 1 34 34 TYR H H 31 9.063 9.063 8.870 0.193 17835 5287 1 13 . 1 1 35 35 ARG N N 32 123.458 123.458 119.741 3.717 17835 5288 1 13 . 1 1 35 35 ARG HA H 32 4.281 4.281 3.901 0.380 17835 5289 1 13 . 1 1 35 35 ARG C C 32 180.186 180.186 178.951 1.235 17835 5290 1 13 . 1 1 35 35 ARG CA C 32 58.908 58.908 59.158 -0.250 17835 5291 1 13 . 1 1 35 35 ARG CB C 32 29.708 29.708 29.957 -0.249 17835 5292 1 13 . 1 1 35 35 ARG H H 32 9.321 9.321 8.568 0.753 17835 5293 1 13 . 1 1 36 36 SER N N 33 116.071 116.071 115.706 0.365 17835 5294 1 13 . 1 1 36 36 SER HA H 33 4.048 4.048 4.070 -0.022 17835 5295 1 13 . 1 1 36 36 SER C C 33 175.063 175.063 175.739 -0.676 17835 5296 1 13 . 1 1 36 36 SER CA C 33 61.856 61.856 61.036 0.820 17835 5297 1 13 . 1 1 36 36 SER CB C 33 62.779 62.779 63.015 -0.236 17835 5298 1 13 . 1 1 36 36 SER H H 33 8.078 8.078 7.989 0.089 17835 5299 1 13 . 1 1 37 37 LEU N N 34 118.571 118.571 122.208 -3.637 17835 5300 1 13 . 1 1 37 37 LEU HA H 34 4.342 4.342 4.186 0.156 17835 5301 1 13 . 1 1 37 37 LEU C C 34 178.400 178.400 178.259 0.141 17835 5302 1 13 . 1 1 37 37 LEU CA C 34 57.073 57.073 57.065 0.008 17835 5303 1 13 . 1 1 37 37 LEU CB C 34 43.132 43.132 42.446 0.686 17835 5304 1 13 . 1 1 37 37 LEU H H 34 7.167 7.167 7.497 -0.330 17835 5305 1 13 . 1 1 38 38 THR N N 35 106.425 106.425 108.479 -2.054 17835 5306 1 13 . 1 1 38 38 THR HA H 35 4.163 4.163 4.077 0.086 17835 5307 1 13 . 1 1 38 38 THR C C 35 176.259 176.259 175.907 0.352 17835 5308 1 13 . 1 1 38 38 THR CA C 35 62.637 62.637 62.431 0.206 17835 5309 1 13 . 1 1 38 38 THR CB C 35 71.659 71.659 69.631 2.028 17835 5310 1 13 . 1 1 38 38 THR H H 35 8.168 8.168 7.887 0.281 17835 5311 1 13 . 1 1 39 39 GLY N N 36 112.162 112.162 111.407 0.755 17835 5312 1 13 . 1 1 39 39 GLY C C 36 172.464 172.464 172.883 -0.419 17835 5313 1 13 . 1 1 39 39 GLY CA C 36 45.225 45.225 45.171 0.054 17835 5314 1 13 . 1 1 39 39 GLY H H 36 8.759 8.759 8.082 0.677 17835 5315 1 13 . 1 1 40 40 ASP N N 37 121.106 121.106 118.544 2.562 17835 5316 1 13 . 1 1 40 40 ASP HA H 37 4.733 4.733 4.804 -0.071 17835 5317 1 13 . 1 1 40 40 ASP C C 37 173.861 173.861 174.266 -0.405 17835 5318 1 13 . 1 1 40 40 ASP CA C 37 52.159 52.159 52.065 0.094 17835 5319 1 13 . 1 1 40 40 ASP CB C 37 44.573 44.573 43.750 0.823 17835 5320 1 13 . 1 1 40 40 ASP H H 37 8.414 8.414 7.515 0.899 17835 5321 1 13 . 1 1 41 41 TRP N N 38 115.206 115.206 119.086 -3.880 17835 5322 1 13 . 1 1 41 41 TRP HA H 38 5.107 5.107 5.013 0.094 17835 5323 1 13 . 1 1 41 41 TRP C C 38 177.125 177.125 177.742 -0.617 17835 5324 1 13 . 1 1 41 41 TRP CA C 38 54.889 54.889 56.295 -1.406 17835 5325 1 13 . 1 1 41 41 TRP CB C 38 31.592 31.592 31.067 0.525 17835 5326 1 13 . 1 1 41 41 TRP H H 38 8.016 8.016 8.385 -0.369 17835 5327 1 13 . 1 1 42 42 ILE N N 39 123.723 123.723 123.059 0.664 17835 5328 1 13 . 1 1 42 42 ILE HA H 39 3.512 3.512 3.569 -0.057 17835 5329 1 13 . 1 1 42 42 ILE C C 39 177.199 177.199 175.653 1.546 17835 5330 1 13 . 1 1 42 42 ILE CA C 39 60.467 60.467 60.287 0.180 17835 5331 1 13 . 1 1 42 42 ILE CB C 39 38.133 38.133 36.736 1.397 17835 5332 1 13 . 1 1 42 42 ILE H H 39 10.079 10.079 9.278 0.801 17835 5333 1 13 . 1 1 43 43 PRO HA H 40 4.600 4.600 4.917 -0.317 17835 5334 1 13 . 1 1 43 43 PRO C C 40 174.997 174.997 177.246 -2.249 17835 5335 1 13 . 1 1 43 43 PRO CA C 40 62.511 62.511 62.293 0.218 17835 5336 1 13 . 1 1 43 43 PRO CB C 40 27.857 27.857 29.681 -1.824 17835 5337 1 13 . 1 1 44 44 PHE N N 41 118.808 118.808 120.009 -1.201 17835 5338 1 13 . 1 1 44 44 PHE HA H 41 3.737 3.737 4.211 -0.474 17835 5339 1 13 . 1 1 44 44 PHE C C 41 175.891 175.891 176.757 -0.866 17835 5340 1 13 . 1 1 44 44 PHE CA C 41 60.911 60.911 62.046 -1.135 17835 5341 1 13 . 1 1 44 44 PHE CB C 41 38.412 38.412 37.573 0.839 17835 5342 1 13 . 1 1 44 44 PHE H H 41 7.647 7.647 7.876 -0.229 17835 5343 1 13 . 1 1 45 45 LYS N N 42 123.543 123.543 119.623 3.920 17835 5344 1 13 . 1 1 45 45 LYS HA H 42 4.763 4.763 4.100 0.663 17835 5345 1 13 . 1 1 45 45 LYS C C 42 181.828 181.828 178.667 3.161 17835 5346 1 13 . 1 1 45 45 LYS CA C 42 58.959 58.959 58.448 0.511 17835 5347 1 13 . 1 1 45 45 LYS CB C 42 31.599 31.599 31.506 0.094 17835 5348 1 13 . 1 1 45 45 LYS H H 42 7.387 7.387 7.173 0.214 17835 5349 1 13 . 1 1 46 46 GLN N N 43 123.171 123.171 118.470 4.701 17835 5350 1 13 . 1 1 46 46 GLN HA H 43 3.896 3.896 4.012 -0.116 17835 5351 1 13 . 1 1 46 46 GLN C C 43 178.167 178.167 177.929 0.238 17835 5352 1 13 . 1 1 46 46 GLN CA C 43 59.066 59.066 58.376 0.690 17835 5353 1 13 . 1 1 46 46 GLN CB C 43 27.702 27.702 28.457 -0.755 17835 5354 1 13 . 1 1 46 46 GLN H H 43 8.567 8.567 7.735 0.832 17835 5355 1 13 . 1 1 47 47 LEU N N 44 116.472 116.472 118.321 -1.849 17835 5356 1 13 . 1 1 47 47 LEU HA H 44 4.255 4.255 4.203 0.052 17835 5357 1 13 . 1 1 47 47 LEU C C 44 176.103 176.103 178.073 -1.970 17835 5358 1 13 . 1 1 47 47 LEU CA C 44 55.308 55.308 56.105 -0.797 17835 5359 1 13 . 1 1 47 47 LEU CB C 44 41.374 41.374 42.862 -1.488 17835 5360 1 13 . 1 1 47 47 LEU H H 44 7.544 7.544 8.314 -0.770 17835 5361 1 13 . 1 1 48 48 GLY N N 45 104.932 104.932 103.914 1.018 17835 5362 1 13 . 1 1 48 48 GLY C C 45 173.844 173.844 174.417 -0.573 17835 5363 1 13 . 1 1 48 48 GLY CA C 45 44.826 44.826 44.418 0.408 17835 5364 1 13 . 1 1 48 48 GLY H H 45 7.741 7.741 7.868 -0.127 17835 5365 1 13 . 1 1 49 49 TYR N N 46 119.946 119.946 120.993 -1.047 17835 5366 1 13 . 1 1 49 49 TYR HA H 46 4.839 4.839 4.861 -0.022 17835 5367 1 13 . 1 1 49 49 TYR C C 46 174.575 174.575 174.943 -0.368 17835 5368 1 13 . 1 1 49 49 TYR CA C 46 56.349 56.349 56.073 0.276 17835 5369 1 13 . 1 1 49 49 TYR CB C 46 41.464 41.464 38.448 3.016 17835 5370 1 13 . 1 1 49 49 TYR H H 46 8.332 8.332 7.982 0.350 17835 5371 1 13 . 1 1 50 50 PRO HA H 47 4.556 4.556 4.543 0.013 17835 5372 1 13 . 1 1 50 50 PRO C C 47 177.125 177.125 176.216 0.909 17835 5373 1 13 . 1 1 50 50 PRO CA C 47 64.115 64.115 64.949 -0.834 17835 5374 1 13 . 1 1 50 50 PRO CB C 47 32.152 32.152 31.917 0.235 17835 5375 1 13 . 1 1 51 51 THR N N 48 105.643 105.643 107.269 -1.626 17835 5376 1 13 . 1 1 51 51 THR HA H 48 4.129 4.129 4.319 -0.190 17835 5377 1 13 . 1 1 51 51 THR C C 48 173.270 173.270 174.523 -1.253 17835 5378 1 13 . 1 1 51 51 THR CA C 48 58.738 58.738 59.870 -1.132 17835 5379 1 13 . 1 1 51 51 THR CB C 48 73.254 73.254 71.521 1.733 17835 5380 1 13 . 1 1 51 51 THR H H 48 6.939 6.939 7.692 -0.753 17835 5381 1 13 . 1 1 52 52 LEU N N 49 121.743 121.743 122.756 -1.013 17835 5382 1 13 . 1 1 52 52 LEU HA H 49 3.325 3.325 3.835 -0.510 17835 5383 1 13 . 1 1 52 52 LEU C C 49 178.195 178.195 178.673 -0.478 17835 5384 1 13 . 1 1 52 52 LEU CA C 49 57.551 57.551 57.685 -0.134 17835 5385 1 13 . 1 1 52 52 LEU CB C 49 40.517 40.517 40.533 -0.016 17835 5386 1 13 . 1 1 52 52 LEU H H 49 7.849 7.849 8.111 -0.262 17835 5387 1 13 . 1 1 53 53 GLU N N 50 118.706 118.706 118.853 -0.147 17835 5388 1 13 . 1 1 53 53 GLU HA H 50 3.411 3.411 3.884 -0.473 17835 5389 1 13 . 1 1 53 53 GLU C C 50 176.853 176.853 178.515 -1.662 17835 5390 1 13 . 1 1 53 53 GLU CA C 50 60.720 60.720 59.389 1.331 17835 5391 1 13 . 1 1 53 53 GLU CB C 50 28.696 28.696 28.738 -0.042 17835 5392 1 13 . 1 1 53 53 GLU H H 50 8.981 8.981 8.734 0.247 17835 5393 1 13 . 1 1 54 54 ALA N N 51 119.673 119.673 122.600 -2.927 17835 5394 1 13 . 1 1 54 54 ALA HA H 51 3.885 3.885 4.031 -0.146 17835 5395 1 13 . 1 1 54 54 ALA C C 51 180.232 180.232 179.374 0.858 17835 5396 1 13 . 1 1 54 54 ALA CA C 51 55.127 55.127 55.016 0.111 17835 5397 1 13 . 1 1 54 54 ALA CB C 51 18.345 18.345 18.488 -0.143 17835 5398 1 13 . 1 1 54 54 ALA H H 51 8.001 8.001 7.764 0.237 17835 5399 1 13 . 1 1 55 55 TYR N N 52 117.474 117.474 120.225 -2.751 17835 5400 1 13 . 1 1 55 55 TYR HA H 52 2.898 2.898 3.275 -0.377 17835 5401 1 13 . 1 1 55 55 TYR C C 52 178.563 178.563 177.259 1.304 17835 5402 1 13 . 1 1 55 55 TYR CA C 52 59.876 59.876 61.237 -1.361 17835 5403 1 13 . 1 1 55 55 TYR CB C 52 37.365 37.365 38.260 -0.895 17835 5404 1 13 . 1 1 55 55 TYR H H 52 7.218 7.218 7.962 -0.744 17835 5405 1 13 . 1 1 56 56 LEU N N 53 121.106 121.106 117.639 3.467 17835 5406 1 13 . 1 1 56 56 LEU HA H 53 3.221 3.221 3.722 -0.501 17835 5407 1 13 . 1 1 56 56 LEU C C 53 179.706 179.706 179.291 0.415 17835 5408 1 13 . 1 1 56 56 LEU CA C 53 57.334 57.334 57.435 -0.101 17835 5409 1 13 . 1 1 56 56 LEU CB C 53 40.788 40.788 41.684 -0.896 17835 5410 1 13 . 1 1 56 56 LEU H H 53 8.440 8.440 8.053 0.388 17835 5411 1 13 . 1 1 57 57 ARG N N 54 116.303 116.303 120.071 -3.768 17835 5412 1 13 . 1 1 57 57 ARG HA H 54 3.722 3.722 4.015 -0.293 17835 5413 1 13 . 1 1 57 57 ARG C C 54 176.071 176.071 177.822 -1.751 17835 5414 1 13 . 1 1 57 57 ARG CA C 54 58.463 58.463 58.632 -0.169 17835 5415 1 13 . 1 1 57 57 ARG CB C 54 29.735 29.735 29.937 -0.202 17835 5416 1 13 . 1 1 57 57 ARG H H 54 7.998 7.998 8.614 -0.616 17835 5417 1 13 . 1 1 58 58 SER N N 55 115.365 115.365 113.038 2.327 17835 5418 1 13 . 1 1 58 58 SER HA H 55 4.357 4.357 4.379 -0.022 17835 5419 1 13 . 1 1 58 58 SER C C 55 173.970 173.970 173.938 0.032 17835 5420 1 13 . 1 1 58 58 SER CA C 55 59.762 59.762 60.164 -0.402 17835 5421 1 13 . 1 1 58 58 SER CB C 55 63.886 63.886 63.328 0.558 17835 5422 1 13 . 1 1 58 58 SER H H 55 7.491 7.491 7.566 -0.075 17835 5423 1 13 . 1 1 59 59 VAL N N 56 113.059 113.059 119.725 -6.666 17835 5424 1 13 . 1 1 59 59 VAL HA H 56 5.090 5.090 4.536 0.554 17835 5425 1 13 . 1 1 59 59 VAL C C 56 174.276 174.276 173.772 0.504 17835 5426 1 13 . 1 1 59 59 VAL CA C 56 58.444 58.444 58.851 -0.407 17835 5427 1 13 . 1 1 59 59 VAL CB C 56 31.559 31.559 32.730 -1.171 17835 5428 1 13 . 1 1 59 59 VAL H H 56 6.729 6.729 6.975 -0.246 17835 5429 1 13 . 1 1 60 60 PRO HA H 57 4.902 4.902 4.720 0.182 17835 5430 1 13 . 1 1 60 60 PRO C C 57 177.563 177.563 177.178 0.385 17835 5431 1 13 . 1 1 60 60 PRO CA C 57 64.541 64.541 64.591 -0.050 17835 5432 1 13 . 1 1 60 60 PRO CB C 57 31.768 31.768 31.736 0.032 17835 5433 1 13 . 1 1 61 61 ALA N N 58 120.004 120.004 120.000 0.004 17835 5434 1 13 . 1 1 61 61 ALA HA H 58 4.327 4.327 4.290 0.037 17835 5435 1 13 . 1 1 61 61 ALA C C 58 177.191 177.191 177.892 -0.701 17835 5436 1 13 . 1 1 61 61 ALA CA C 58 52.795 52.795 53.361 -0.566 17835 5437 1 13 . 1 1 61 61 ALA CB C 58 18.427 18.427 19.438 -1.011 17835 5438 1 13 . 1 1 61 61 ALA H H 58 8.397 8.397 8.223 0.174 17835 5439 1 13 . 1 1 62 62 VAL N N 59 116.635 116.635 113.292 3.343 17835 5440 1 13 . 1 1 62 62 VAL HA H 59 4.032 4.032 4.290 -0.258 17835 5441 1 13 . 1 1 62 62 VAL C C 59 174.238 174.238 174.902 -0.664 17835 5442 1 13 . 1 1 62 62 VAL CA C 59 63.741 63.741 62.780 0.961 17835 5443 1 13 . 1 1 62 62 VAL CB C 59 34.115 34.115 34.873 -0.758 17835 5444 1 13 . 1 1 62 62 VAL H H 59 8.080 8.080 7.635 0.445 17835 5445 1 13 . 1 1 63 63 VAL N N 60 117.153 117.153 118.535 -1.382 17835 5446 1 13 . 1 1 63 63 VAL HA H 60 4.911 4.911 4.645 0.266 17835 5447 1 13 . 1 1 63 63 VAL C C 60 172.258 172.258 173.632 -1.374 17835 5448 1 13 . 1 1 63 63 VAL CA C 60 59.006 59.006 60.748 -1.742 17835 5449 1 13 . 1 1 63 63 VAL CB C 60 35.461 35.461 36.531 -1.070 17835 5450 1 13 . 1 1 63 63 VAL H H 60 7.791 7.791 8.113 -0.322 17835 5451 1 13 . 1 1 64 64 ARG N N 61 129.658 129.658 121.655 8.003 17835 5452 1 13 . 1 1 64 64 ARG HA H 61 4.727 4.727 4.704 0.023 17835 5453 1 13 . 1 1 64 64 ARG C C 61 174.437 174.437 173.601 0.836 17835 5454 1 13 . 1 1 64 64 ARG CA C 61 54.117 54.117 55.527 -1.410 17835 5455 1 13 . 1 1 64 64 ARG CB C 61 32.754 32.754 34.185 -1.431 17835 5456 1 13 . 1 1 64 64 ARG H H 61 9.208 9.208 8.991 0.217 17835 5457 1 13 . 1 1 65 65 ILE N N 62 125.775 125.775 118.105 7.670 17835 5458 1 13 . 1 1 65 65 ILE HA H 62 4.917 4.917 5.397 -0.480 17835 5459 1 13 . 1 1 65 65 ILE C C 62 175.842 175.842 174.572 1.270 17835 5460 1 13 . 1 1 65 65 ILE CA C 62 59.545 59.545 59.830 -0.285 17835 5461 1 13 . 1 1 65 65 ILE CB C 62 39.645 39.645 42.428 -2.783 17835 5462 1 13 . 1 1 65 65 ILE H H 62 8.736 8.736 8.315 0.421 17835 5463 1 13 . 1 1 66 66 GLU N N 63 127.114 127.114 122.900 4.214 17835 5464 1 13 . 1 1 66 66 GLU HA H 63 4.677 4.677 4.718 -0.041 17835 5465 1 13 . 1 1 66 66 GLU C C 63 174.409 174.409 175.377 -0.968 17835 5466 1 13 . 1 1 66 66 GLU CA C 63 54.791 54.791 55.346 -0.555 17835 5467 1 13 . 1 1 66 66 GLU CB C 63 33.078 33.078 32.589 0.489 17835 5468 1 13 . 1 1 66 66 GLU H H 63 9.197 9.197 9.038 0.159 17835 5469 1 13 . 1 1 67 67 ALA N N 64 127.913 127.913 129.804 -1.891 17835 5470 1 13 . 1 1 67 67 ALA HA H 64 5.026 5.026 4.683 0.343 17835 5471 1 13 . 1 1 67 67 ALA C C 64 177.717 177.717 176.973 0.744 17835 5472 1 13 . 1 1 67 67 ALA CA C 64 51.070 51.070 51.959 -0.889 17835 5473 1 13 . 1 1 67 67 ALA CB C 64 19.550 19.550 19.093 0.457 17835 5474 1 13 . 1 1 67 67 ALA H H 64 8.779 8.779 8.575 0.204 17835 5475 1 13 . 1 1 68 68 SER N N 65 119.364 119.364 118.857 0.507 17835 5476 1 13 . 1 1 68 68 SER HA H 65 4.665 4.665 4.715 -0.050 17835 5477 1 13 . 1 1 68 68 SER C C 65 176.518 176.518 176.729 -0.211 17835 5478 1 13 . 1 1 68 68 SER CA C 65 57.096 57.096 56.428 0.668 17835 5479 1 13 . 1 1 68 68 SER CB C 65 65.234 65.234 64.489 0.745 17835 5480 1 13 . 1 1 68 68 SER H H 65 8.951 8.951 8.653 0.298 17835 5481 1 13 . 1 1 69 69 ARG N N 66 123.143 123.143 125.534 -2.391 17835 5482 1 13 . 1 1 69 69 ARG HA H 66 4.153 4.153 4.143 0.010 17835 5483 1 13 . 1 1 69 69 ARG C C 66 177.356 177.356 176.237 1.119 17835 5484 1 13 . 1 1 69 69 ARG CA C 66 58.973 58.973 58.318 0.655 17835 5485 1 13 . 1 1 69 69 ARG CB C 66 29.659 29.659 29.285 0.374 17835 5486 1 13 . 1 1 69 69 ARG H H 66 9.075 9.075 8.797 0.278 17835 5487 1 13 . 1 1 70 70 SER N N 67 112.081 112.081 114.923 -2.842 17835 5488 1 13 . 1 1 70 70 SER HA H 67 4.416 4.416 4.397 0.019 17835 5489 1 13 . 1 1 70 70 SER C C 67 175.146 175.146 175.382 -0.236 17835 5490 1 13 . 1 1 70 70 SER CA C 67 58.413 58.413 58.602 -0.189 17835 5491 1 13 . 1 1 70 70 SER CB C 67 63.477 63.477 63.602 -0.125 17835 5492 1 13 . 1 1 70 70 SER H H 67 8.083 8.083 8.019 0.064 17835 5493 1 13 . 1 1 71 71 GLY N N 68 110.519 110.519 109.311 1.208 17835 5494 1 13 . 1 1 71 71 GLY C C 68 174.116 174.116 173.997 0.119 17835 5495 1 13 . 1 1 71 71 GLY CA C 68 45.114 45.114 45.267 -0.153 17835 5496 1 13 . 1 1 71 71 GLY H H 68 7.974 7.974 7.976 -0.002 17835 5497 1 13 . 1 1 72 72 GLU N N 69 120.663 120.663 120.205 0.458 17835 5498 1 13 . 1 1 72 72 GLU HA H 69 4.289 4.289 4.494 -0.205 17835 5499 1 13 . 1 1 72 72 GLU C C 69 175.352 175.352 175.250 0.102 17835 5500 1 13 . 1 1 72 72 GLU CA C 69 56.082 56.082 55.286 0.796 17835 5501 1 13 . 1 1 72 72 GLU CB C 69 30.517 30.517 30.911 -0.394 17835 5502 1 13 . 1 1 72 72 GLU H H 69 7.630 7.630 7.939 -0.309 17835 5503 1 13 . 1 1 73 73 ILE N N 70 125.775 125.775 121.053 4.722 17835 5504 1 13 . 1 1 73 73 ILE HA H 70 4.367 4.367 4.890 -0.523 17835 5505 1 13 . 1 1 73 73 ILE C C 70 174.613 174.613 173.959 0.654 17835 5506 1 13 . 1 1 73 73 ILE CA C 70 60.876 60.876 59.425 1.451 17835 5507 1 13 . 1 1 73 73 ILE CB C 70 37.465 37.465 41.316 -3.851 17835 5508 1 13 . 1 1 73 73 ILE H H 70 8.753 8.753 8.290 0.463 17835 5509 1 13 . 1 1 74 74 VAL N N 71 128.300 128.300 127.913 0.387 17835 5510 1 13 . 1 1 74 74 VAL HA H 71 4.153 4.153 4.337 -0.184 17835 5511 1 13 . 1 1 74 74 VAL C C 71 173.544 173.544 174.674 -1.130 17835 5512 1 13 . 1 1 74 74 VAL CA C 71 61.736 61.736 60.663 1.073 17835 5513 1 13 . 1 1 74 74 VAL CB C 71 33.763 33.763 33.603 0.160 17835 5514 1 13 . 1 1 74 74 VAL H H 71 8.724 8.724 8.724 0.000 17835 5515 1 13 . 1 1 75 75 CYS N N 72 122.823 122.823 125.526 -2.703 17835 5516 1 13 . 1 1 75 75 CYS HA H 72 4.948 4.948 4.929 0.019 17835 5517 1 13 . 1 1 75 75 CYS C C 72 173.200 173.200 173.865 -0.665 17835 5518 1 13 . 1 1 75 75 CYS CA C 72 57.176 57.176 58.232 -1.056 17835 5519 1 13 . 1 1 75 75 CYS CB C 72 29.712 29.712 29.008 0.705 17835 5520 1 13 . 1 1 75 75 CYS H H 72 8.200 8.200 8.730 -0.530 17835 5521 1 13 . 1 1 76 76 TYR N N 73 119.584 119.584 119.146 0.438 17835 5522 1 13 . 1 1 76 76 TYR HA H 73 5.013 5.013 4.767 0.246 17835 5523 1 13 . 1 1 76 76 TYR C C 73 175.779 175.779 174.920 0.859 17835 5524 1 13 . 1 1 76 76 TYR CA C 73 56.289 56.289 57.100 -0.811 17835 5525 1 13 . 1 1 76 76 TYR CB C 73 42.505 42.505 43.100 -0.595 17835 5526 1 13 . 1 1 76 76 TYR H H 73 9.265 9.265 9.276 -0.011 17835 5527 1 13 . 1 1 77 77 ALA N N 74 122.844 122.844 121.974 0.870 17835 5528 1 13 . 1 1 77 77 ALA HA H 74 4.423 4.423 4.671 -0.248 17835 5529 1 13 . 1 1 77 77 ALA C C 74 177.907 177.907 175.809 2.098 17835 5530 1 13 . 1 1 77 77 ALA CA C 74 52.151 52.151 51.148 1.003 17835 5531 1 13 . 1 1 77 77 ALA CB C 74 18.915 18.915 21.018 -2.103 17835 5532 1 13 . 1 1 77 77 ALA H H 74 9.145 9.145 8.984 0.161 17835 5533 1 13 . 1 1 78 78 VAL N N 75 123.434 123.434 116.641 6.793 17835 5534 1 13 . 1 1 78 78 VAL HA H 75 3.826 3.826 4.378 -0.552 17835 5535 1 13 . 1 1 78 78 VAL C C 75 174.995 174.995 174.800 0.195 17835 5536 1 13 . 1 1 78 78 VAL CA C 75 63.379 63.379 61.880 1.499 17835 5537 1 13 . 1 1 78 78 VAL CB C 75 32.715 32.715 34.643 -1.928 17835 5538 1 13 . 1 1 78 78 VAL H H 75 7.894 7.894 8.656 -0.762 17835 5539 1 14 . 1 1 5 5 LEU N N 2 124.907 124.907 121.693 3.214 17835 5540 1 14 . 1 1 5 5 LEU HA H 2 4.299 4.299 4.270 0.029 17835 5541 1 14 . 1 1 5 5 LEU C C 2 177.892 177.892 178.164 -0.272 17835 5542 1 14 . 1 1 5 5 LEU CA C 2 55.749 55.749 54.537 1.212 17835 5543 1 14 . 1 1 5 5 LEU CB C 2 42.001 42.001 42.337 -0.336 17835 5544 1 14 . 1 1 5 5 LEU H H 2 8.636 8.636 8.502 0.134 17835 5545 1 14 . 1 1 6 6 GLU N N 3 122.649 122.649 122.034 0.615 17835 5546 1 14 . 1 1 6 6 GLU HA H 3 4.172 4.172 3.949 0.223 17835 5547 1 14 . 1 1 6 6 GLU C C 3 177.481 177.481 178.537 -1.056 17835 5548 1 14 . 1 1 6 6 GLU CA C 3 58.106 58.106 60.068 -1.962 17835 5549 1 14 . 1 1 6 6 GLU CB C 3 28.874 28.874 29.730 -0.856 17835 5550 1 14 . 1 1 6 6 GLU H H 3 8.594 8.594 8.950 -0.356 17835 5551 1 14 . 1 1 7 7 ALA N N 4 121.929 121.929 121.196 0.733 17835 5552 1 14 . 1 1 7 7 ALA HA H 4 3.944 3.944 4.190 -0.246 17835 5553 1 14 . 1 1 7 7 ALA C C 4 180.419 180.419 179.424 0.995 17835 5554 1 14 . 1 1 7 7 ALA CA C 4 55.686 55.686 55.088 0.598 17835 5555 1 14 . 1 1 7 7 ALA CB C 4 18.587 18.587 18.012 0.574 17835 5556 1 14 . 1 1 7 7 ALA H H 4 8.744 8.744 8.385 0.359 17835 5557 1 14 . 1 1 8 8 ASP N N 5 117.514 117.514 119.621 -2.107 17835 5558 1 14 . 1 1 8 8 ASP HA H 5 4.482 4.482 4.523 -0.041 17835 5559 1 14 . 1 1 8 8 ASP C C 5 178.010 178.010 178.229 -0.219 17835 5560 1 14 . 1 1 8 8 ASP CA C 5 56.603 56.603 56.781 -0.178 17835 5561 1 14 . 1 1 8 8 ASP CB C 5 40.353 40.353 40.722 -0.369 17835 5562 1 14 . 1 1 8 8 ASP H H 5 8.071 8.071 8.279 -0.208 17835 5563 1 14 . 1 1 9 9 LEU N N 6 122.640 122.640 121.419 1.221 17835 5564 1 14 . 1 1 9 9 LEU HA H 6 4.165 4.165 4.094 0.071 17835 5565 1 14 . 1 1 9 9 LEU C C 6 178.699 178.699 178.658 0.041 17835 5566 1 14 . 1 1 9 9 LEU CA C 6 57.986 57.986 58.321 -0.334 17835 5567 1 14 . 1 1 9 9 LEU CB C 6 41.675 41.675 42.172 -0.497 17835 5568 1 14 . 1 1 9 9 LEU H H 6 7.713 7.713 8.382 -0.669 17835 5569 1 14 . 1 1 10 10 VAL N N 7 119.303 119.303 115.721 3.582 17835 5570 1 14 . 1 1 10 10 VAL HA H 7 4.025 4.025 3.853 0.172 17835 5571 1 14 . 1 1 10 10 VAL C C 7 178.570 178.570 178.112 0.458 17835 5572 1 14 . 1 1 10 10 VAL CA C 7 65.683 65.683 66.400 -0.717 17835 5573 1 14 . 1 1 10 10 VAL CB C 7 31.841 31.841 30.621 1.220 17835 5574 1 14 . 1 1 10 10 VAL H H 7 8.115 8.115 8.112 0.003 17835 5575 1 14 . 1 1 11 11 SER N N 8 113.146 113.146 118.715 -5.569 17835 5576 1 14 . 1 1 11 11 SER HA H 8 4.042 4.042 4.366 -0.324 17835 5577 1 14 . 1 1 11 11 SER C C 8 176.364 176.364 176.881 -0.517 17835 5578 1 14 . 1 1 11 11 SER CA C 8 62.600 62.600 62.654 -0.054 17835 5579 1 14 . 1 1 11 11 SER CB C 8 61.596 61.596 63.159 -1.563 17835 5580 1 14 . 1 1 11 11 SER H H 8 7.796 7.796 8.225 -0.429 17835 5581 1 14 . 1 1 12 12 LYS N N 9 121.690 121.690 121.985 -0.295 17835 5582 1 14 . 1 1 12 12 LYS HA H 9 4.044 4.044 4.014 0.030 17835 5583 1 14 . 1 1 12 12 LYS C C 9 180.048 180.048 178.797 1.251 17835 5584 1 14 . 1 1 12 12 LYS CA C 9 60.002 60.002 59.693 0.309 17835 5585 1 14 . 1 1 12 12 LYS CB C 9 32.839 32.839 32.334 0.506 17835 5586 1 14 . 1 1 12 12 LYS H H 9 7.754 7.754 8.330 -0.576 17835 5587 1 14 . 1 1 13 13 MET N N 10 119.794 119.794 118.628 1.166 17835 5588 1 14 . 1 1 13 13 MET HA H 10 4.420 4.420 4.164 0.256 17835 5589 1 14 . 1 1 13 13 MET C C 10 178.151 178.151 178.121 0.030 17835 5590 1 14 . 1 1 13 13 MET CA C 10 57.095 57.095 57.872 -0.777 17835 5591 1 14 . 1 1 13 13 MET CB C 10 31.599 31.599 31.834 -0.235 17835 5592 1 14 . 1 1 13 13 MET H H 10 8.451 8.451 8.457 -0.006 17835 5593 1 14 . 1 1 14 14 LEU N N 11 122.035 122.035 122.112 -0.077 17835 5594 1 14 . 1 1 14 14 LEU HA H 11 4.207 4.207 4.137 0.070 17835 5595 1 14 . 1 1 14 14 LEU C C 11 178.526 178.526 178.133 0.393 17835 5596 1 14 . 1 1 14 14 LEU CA C 11 58.178 58.178 59.119 -0.941 17835 5597 1 14 . 1 1 14 14 LEU CB C 11 42.148 42.148 41.751 0.397 17835 5598 1 14 . 1 1 14 14 LEU H H 11 9.301 9.301 8.774 0.527 17835 5599 1 14 . 1 1 15 15 ARG N N 12 118.150 118.150 119.313 -1.163 17835 5600 1 14 . 1 1 15 15 ARG HA H 12 3.839 3.839 3.866 -0.027 17835 5601 1 14 . 1 1 15 15 ARG C C 12 177.951 177.951 178.390 -0.439 17835 5602 1 14 . 1 1 15 15 ARG CA C 12 60.500 60.500 59.284 1.216 17835 5603 1 14 . 1 1 15 15 ARG CB C 12 29.966 29.966 29.805 0.161 17835 5604 1 14 . 1 1 15 15 ARG H H 12 8.248 8.248 8.408 -0.160 17835 5605 1 14 . 1 1 16 16 ALA N N 13 120.291 120.291 122.056 -1.765 17835 5606 1 14 . 1 1 16 16 ALA HA H 13 4.150 4.150 4.122 0.028 17835 5607 1 14 . 1 1 16 16 ALA C C 13 181.072 181.072 179.929 1.143 17835 5608 1 14 . 1 1 16 16 ALA CA C 13 55.371 55.371 54.993 0.378 17835 5609 1 14 . 1 1 16 16 ALA CB C 13 17.845 17.845 18.158 -0.313 17835 5610 1 14 . 1 1 16 16 ALA H H 13 7.587 7.587 8.210 -0.623 17835 5611 1 14 . 1 1 17 17 VAL N N 14 119.183 119.183 118.954 0.229 17835 5612 1 14 . 1 1 17 17 VAL HA H 14 3.858 3.858 3.404 0.454 17835 5613 1 14 . 1 1 17 17 VAL C C 14 178.531 178.531 178.039 0.492 17835 5614 1 14 . 1 1 17 17 VAL CA C 14 65.552 65.552 66.562 -1.010 17835 5615 1 14 . 1 1 17 17 VAL CB C 14 32.190 32.190 30.981 1.209 17835 5616 1 14 . 1 1 17 17 VAL H H 14 8.324 8.324 8.064 0.260 17835 5617 1 14 . 1 1 18 18 LEU N N 15 120.498 120.498 119.104 1.394 17835 5618 1 14 . 1 1 18 18 LEU HA H 15 3.985 3.985 3.922 0.063 17835 5619 1 14 . 1 1 18 18 LEU C C 15 179.935 179.935 179.162 0.773 17835 5620 1 14 . 1 1 18 18 LEU CA C 15 58.474 58.474 57.764 0.710 17835 5621 1 14 . 1 1 18 18 LEU CB C 15 41.885 41.885 41.383 0.502 17835 5622 1 14 . 1 1 18 18 LEU H H 15 8.388 8.388 8.070 0.318 17835 5623 1 14 . 1 1 19 19 GLN N N 16 117.835 117.835 117.115 0.720 17835 5624 1 14 . 1 1 19 19 GLN HA H 16 3.981 3.981 4.087 -0.106 17835 5625 1 14 . 1 1 19 19 GLN C C 16 177.304 177.304 179.263 -1.959 17835 5626 1 14 . 1 1 19 19 GLN CA C 16 58.668 58.668 58.397 0.271 17835 5627 1 14 . 1 1 19 19 GLN CB C 16 28.274 28.274 28.329 -0.055 17835 5628 1 14 . 1 1 19 19 GLN H H 16 8.689 8.689 8.297 0.392 17835 5629 1 14 . 1 1 20 20 SER N N 17 111.043 111.043 116.412 -5.369 17835 5630 1 14 . 1 1 20 20 SER HA H 17 4.386 4.386 4.362 0.024 17835 5631 1 14 . 1 1 20 20 SER C C 17 173.630 173.630 176.497 -2.867 17835 5632 1 14 . 1 1 20 20 SER CA C 17 59.252 59.252 61.581 -2.329 17835 5633 1 14 . 1 1 20 20 SER CB C 17 63.600 63.600 63.602 -0.002 17835 5634 1 14 . 1 1 20 20 SER H H 17 7.461 7.461 8.136 -0.675 17835 5635 1 14 . 1 1 21 21 HIS N N 18 121.324 121.324 120.316 1.008 17835 5636 1 14 . 1 1 21 21 HIS HA H 18 4.824 4.824 4.860 -0.036 17835 5637 1 14 . 1 1 21 21 HIS C C 18 174.835 174.835 175.219 -0.384 17835 5638 1 14 . 1 1 21 21 HIS CA C 18 54.386 54.386 53.008 1.378 17835 5639 1 14 . 1 1 21 21 HIS CB C 18 28.657 28.657 27.661 0.996 17835 5640 1 14 . 1 1 21 21 HIS H H 18 7.692 7.692 8.030 -0.338 17835 5641 1 14 . 1 1 22 22 LYS N N 19 123.925 123.925 121.638 2.287 17835 5642 1 14 . 1 1 22 22 LYS HA H 19 4.161 4.161 4.223 -0.062 17835 5643 1 14 . 1 1 22 22 LYS C C 19 177.562 177.562 177.950 -0.388 17835 5644 1 14 . 1 1 22 22 LYS CA C 19 59.316 59.316 58.229 1.087 17835 5645 1 14 . 1 1 22 22 LYS CB C 19 32.202 32.202 31.820 0.382 17835 5646 1 14 . 1 1 22 22 LYS H H 19 8.809 8.809 7.795 1.014 17835 5647 1 14 . 1 1 23 23 ASN N N 20 115.473 115.473 116.685 -1.212 17835 5648 1 14 . 1 1 23 23 ASN HA H 20 5.073 5.073 4.711 0.362 17835 5649 1 14 . 1 1 23 23 ASN C C 20 174.783 174.783 175.832 -1.049 17835 5650 1 14 . 1 1 23 23 ASN CA C 20 52.835 52.835 53.430 -0.595 17835 5651 1 14 . 1 1 23 23 ASN CB C 20 38.540 38.540 39.070 -0.530 17835 5652 1 14 . 1 1 23 23 ASN H H 20 8.784 8.784 8.213 0.571 17835 5653 1 14 . 1 1 24 24 GLY N N 21 107.402 107.402 108.500 -1.098 17835 5654 1 14 . 1 1 24 24 GLY C C 21 172.572 172.572 172.827 -0.255 17835 5655 1 14 . 1 1 24 24 GLY CA C 21 44.739 44.739 44.481 0.258 17835 5656 1 14 . 1 1 24 24 GLY H H 21 7.743 7.743 7.902 -0.159 17835 5657 1 14 . 1 1 25 25 ILE N N 22 117.796 117.796 115.776 2.020 17835 5658 1 14 . 1 1 25 25 ILE HA H 22 4.272 4.272 4.662 -0.390 17835 5659 1 14 . 1 1 25 25 ILE C C 22 175.452 175.452 175.145 0.307 17835 5660 1 14 . 1 1 25 25 ILE CA C 22 59.468 59.468 59.255 0.213 17835 5661 1 14 . 1 1 25 25 ILE CB C 22 41.833 41.833 40.676 1.157 17835 5662 1 14 . 1 1 25 25 ILE H H 22 8.509 8.509 7.930 0.579 17835 5663 1 14 . 1 1 26 26 VAL N N 23 124.597 124.597 122.541 2.056 17835 5664 1 14 . 1 1 26 26 VAL HA H 23 4.585 4.585 4.527 0.058 17835 5665 1 14 . 1 1 26 26 VAL C C 23 177.566 177.566 177.455 0.111 17835 5666 1 14 . 1 1 26 26 VAL CA C 23 62.227 62.227 62.282 -0.055 17835 5667 1 14 . 1 1 26 26 VAL CB C 23 31.945 31.945 32.116 -0.171 17835 5668 1 14 . 1 1 26 26 VAL H H 23 8.524 8.524 8.351 0.173 17835 5669 1 14 . 1 1 27 27 LEU N N 24 124.858 124.858 122.311 2.547 17835 5670 1 14 . 1 1 27 27 LEU HA H 24 4.011 4.011 4.414 -0.403 17835 5671 1 14 . 1 1 27 27 LEU C C 24 175.569 175.569 176.605 -1.036 17835 5672 1 14 . 1 1 27 27 LEU CA C 24 60.394 60.394 59.007 1.387 17835 5673 1 14 . 1 1 27 27 LEU CB C 24 39.402 39.402 38.901 0.501 17835 5674 1 14 . 1 1 27 27 LEU H H 24 8.816 8.816 8.140 0.676 17835 5675 1 14 . 1 1 28 28 PRO HA H 25 4.401 4.401 4.251 0.150 17835 5676 1 14 . 1 1 28 28 PRO C C 25 177.600 177.600 179.247 -1.647 17835 5677 1 14 . 1 1 28 28 PRO CA C 25 65.549 65.549 65.837 -0.287 17835 5678 1 14 . 1 1 28 28 PRO CB C 25 31.458 31.458 30.837 0.621 17835 5679 1 14 . 1 1 29 29 ARG N N 26 115.136 115.136 119.291 -4.155 17835 5680 1 14 . 1 1 29 29 ARG HA H 26 4.511 4.511 4.109 0.402 17835 5681 1 14 . 1 1 29 29 ARG C C 26 177.152 177.152 178.255 -1.103 17835 5682 1 14 . 1 1 29 29 ARG CA C 26 55.853 55.853 59.358 -3.505 17835 5683 1 14 . 1 1 29 29 ARG CB C 26 30.981 30.981 29.961 1.020 17835 5684 1 14 . 1 1 29 29 ARG H H 26 7.869 7.869 7.786 0.083 17835 5685 1 14 . 1 1 30 30 LEU N N 27 122.984 122.984 121.748 1.236 17835 5686 1 14 . 1 1 30 30 LEU HA H 27 3.842 3.842 3.988 -0.146 17835 5687 1 14 . 1 1 30 30 LEU C C 27 177.872 177.872 178.542 -0.670 17835 5688 1 14 . 1 1 30 30 LEU CA C 27 59.458 59.458 58.670 0.787 17835 5689 1 14 . 1 1 30 30 LEU CB C 27 42.326 42.326 41.361 0.965 17835 5690 1 14 . 1 1 30 30 LEU H H 27 7.870 7.870 8.675 -0.805 17835 5691 1 14 . 1 1 31 31 GLN N N 28 117.382 117.382 117.778 -0.396 17835 5692 1 14 . 1 1 31 31 GLN HA H 28 4.689 4.689 4.081 0.608 17835 5693 1 14 . 1 1 31 31 GLN C C 28 178.888 178.888 179.132 -0.244 17835 5694 1 14 . 1 1 31 31 GLN CA C 28 60.243 60.243 59.725 0.518 17835 5695 1 14 . 1 1 31 31 GLN CB C 28 27.811 27.811 28.450 -0.639 17835 5696 1 14 . 1 1 31 31 GLN H H 28 9.217 9.217 8.125 1.092 17835 5697 1 14 . 1 1 32 32 GLY N N 29 105.066 105.066 108.088 -3.022 17835 5698 1 14 . 1 1 32 32 GLY C C 29 177.579 177.579 176.732 0.847 17835 5699 1 14 . 1 1 32 32 GLY CA C 29 47.254 47.254 47.398 -0.144 17835 5700 1 14 . 1 1 32 32 GLY H H 29 8.680 8.680 8.582 0.098 17835 5701 1 14 . 1 1 33 33 GLU N N 30 121.593 121.593 122.961 -1.368 17835 5702 1 14 . 1 1 33 33 GLU HA H 30 4.274 4.274 4.210 0.064 17835 5703 1 14 . 1 1 33 33 GLU C C 30 179.316 179.316 178.744 0.572 17835 5704 1 14 . 1 1 33 33 GLU CA C 30 59.068 59.068 58.671 0.397 17835 5705 1 14 . 1 1 33 33 GLU CB C 30 29.077 29.077 29.375 -0.298 17835 5706 1 14 . 1 1 33 33 GLU H H 30 8.063 8.063 8.441 -0.378 17835 5707 1 14 . 1 1 34 34 TYR N N 31 123.143 123.143 122.478 0.665 17835 5708 1 14 . 1 1 34 34 TYR HA H 31 4.083 4.083 4.058 0.025 17835 5709 1 14 . 1 1 34 34 TYR C C 31 178.379 178.379 177.261 1.118 17835 5710 1 14 . 1 1 34 34 TYR CA C 31 62.406 62.406 61.657 0.749 17835 5711 1 14 . 1 1 34 34 TYR CB C 31 39.405 39.405 38.505 0.899 17835 5712 1 14 . 1 1 34 34 TYR H H 31 9.063 9.063 8.846 0.217 17835 5713 1 14 . 1 1 35 35 ARG N N 32 123.458 123.458 119.025 4.433 17835 5714 1 14 . 1 1 35 35 ARG HA H 32 4.281 4.281 3.973 0.308 17835 5715 1 14 . 1 1 35 35 ARG C C 32 180.186 180.186 178.930 1.256 17835 5716 1 14 . 1 1 35 35 ARG CA C 32 58.908 58.908 58.517 0.391 17835 5717 1 14 . 1 1 35 35 ARG CB C 32 29.708 29.708 29.314 0.393 17835 5718 1 14 . 1 1 35 35 ARG H H 32 9.321 9.321 8.661 0.660 17835 5719 1 14 . 1 1 36 36 SER N N 33 116.071 116.071 115.783 0.288 17835 5720 1 14 . 1 1 36 36 SER HA H 33 4.048 4.048 4.139 -0.091 17835 5721 1 14 . 1 1 36 36 SER C C 33 175.063 175.063 175.621 -0.558 17835 5722 1 14 . 1 1 36 36 SER CA C 33 61.856 61.856 61.493 0.363 17835 5723 1 14 . 1 1 36 36 SER CB C 33 62.779 62.779 62.835 -0.056 17835 5724 1 14 . 1 1 36 36 SER H H 33 8.078 8.078 7.860 0.218 17835 5725 1 14 . 1 1 37 37 LEU N N 34 118.571 118.571 122.250 -3.679 17835 5726 1 14 . 1 1 37 37 LEU HA H 34 4.342 4.342 4.203 0.139 17835 5727 1 14 . 1 1 37 37 LEU C C 34 178.400 178.400 178.233 0.167 17835 5728 1 14 . 1 1 37 37 LEU CA C 34 57.073 57.073 57.110 -0.037 17835 5729 1 14 . 1 1 37 37 LEU CB C 34 43.132 43.132 42.330 0.802 17835 5730 1 14 . 1 1 37 37 LEU H H 34 7.167 7.167 7.489 -0.322 17835 5731 1 14 . 1 1 38 38 THR N N 35 106.425 106.425 108.506 -2.081 17835 5732 1 14 . 1 1 38 38 THR HA H 35 4.163 4.163 4.005 0.158 17835 5733 1 14 . 1 1 38 38 THR C C 35 176.259 176.259 175.673 0.586 17835 5734 1 14 . 1 1 38 38 THR CA C 35 62.637 62.637 62.516 0.121 17835 5735 1 14 . 1 1 38 38 THR CB C 35 71.659 71.659 69.687 1.972 17835 5736 1 14 . 1 1 38 38 THR H H 35 8.168 8.168 7.957 0.211 17835 5737 1 14 . 1 1 39 39 GLY N N 36 112.162 112.162 110.683 1.479 17835 5738 1 14 . 1 1 39 39 GLY C C 36 172.464 172.464 173.127 -0.663 17835 5739 1 14 . 1 1 39 39 GLY CA C 36 45.225 45.225 44.995 0.230 17835 5740 1 14 . 1 1 39 39 GLY H H 36 8.759 8.759 7.702 1.057 17835 5741 1 14 . 1 1 40 40 ASP N N 37 121.106 121.106 118.938 2.168 17835 5742 1 14 . 1 1 40 40 ASP HA H 37 4.733 4.733 4.736 -0.003 17835 5743 1 14 . 1 1 40 40 ASP C C 37 173.861 173.861 173.818 0.043 17835 5744 1 14 . 1 1 40 40 ASP CA C 37 52.159 52.159 52.220 -0.061 17835 5745 1 14 . 1 1 40 40 ASP CB C 37 44.573 44.573 43.085 1.488 17835 5746 1 14 . 1 1 40 40 ASP H H 37 8.414 8.414 7.520 0.894 17835 5747 1 14 . 1 1 41 41 TRP N N 38 115.206 115.206 119.206 -4.000 17835 5748 1 14 . 1 1 41 41 TRP HA H 38 5.107 5.107 4.977 0.130 17835 5749 1 14 . 1 1 41 41 TRP C C 38 177.125 177.125 177.721 -0.596 17835 5750 1 14 . 1 1 41 41 TRP CA C 38 54.889 54.889 55.962 -1.073 17835 5751 1 14 . 1 1 41 41 TRP CB C 38 31.592 31.592 31.087 0.505 17835 5752 1 14 . 1 1 41 41 TRP H H 38 8.016 8.016 8.299 -0.283 17835 5753 1 14 . 1 1 42 42 ILE N N 39 123.723 123.723 123.522 0.201 17835 5754 1 14 . 1 1 42 42 ILE HA H 39 3.512 3.512 3.676 -0.164 17835 5755 1 14 . 1 1 42 42 ILE C C 39 177.199 177.199 176.288 0.911 17835 5756 1 14 . 1 1 42 42 ILE CA C 39 60.467 60.467 61.344 -0.877 17835 5757 1 14 . 1 1 42 42 ILE CB C 39 38.133 38.133 37.839 0.294 17835 5758 1 14 . 1 1 42 42 ILE H H 39 10.079 10.079 9.146 0.933 17835 5759 1 14 . 1 1 43 43 PRO HA H 40 4.600 4.600 4.732 -0.132 17835 5760 1 14 . 1 1 43 43 PRO C C 40 174.997 174.997 176.777 -1.780 17835 5761 1 14 . 1 1 43 43 PRO CA C 40 62.511 62.511 62.376 0.135 17835 5762 1 14 . 1 1 43 43 PRO CB C 40 27.857 27.857 29.436 -1.579 17835 5763 1 14 . 1 1 44 44 PHE N N 41 118.808 118.808 119.895 -1.087 17835 5764 1 14 . 1 1 44 44 PHE HA H 41 3.737 3.737 4.175 -0.438 17835 5765 1 14 . 1 1 44 44 PHE C C 41 175.891 175.891 176.941 -1.050 17835 5766 1 14 . 1 1 44 44 PHE CA C 41 60.911 60.911 62.128 -1.217 17835 5767 1 14 . 1 1 44 44 PHE CB C 41 38.412 38.412 37.551 0.861 17835 5768 1 14 . 1 1 44 44 PHE H H 41 7.647 7.647 7.929 -0.282 17835 5769 1 14 . 1 1 45 45 LYS N N 42 123.543 123.543 119.275 4.268 17835 5770 1 14 . 1 1 45 45 LYS HA H 42 4.763 4.763 4.240 0.523 17835 5771 1 14 . 1 1 45 45 LYS C C 42 181.828 181.828 178.704 3.124 17835 5772 1 14 . 1 1 45 45 LYS CA C 42 58.959 58.959 57.828 1.131 17835 5773 1 14 . 1 1 45 45 LYS CB C 42 31.599 31.599 31.299 0.300 17835 5774 1 14 . 1 1 45 45 LYS H H 42 7.387 7.387 7.367 0.020 17835 5775 1 14 . 1 1 46 46 GLN N N 43 123.171 123.171 118.327 4.844 17835 5776 1 14 . 1 1 46 46 GLN HA H 43 3.896 3.896 4.016 -0.120 17835 5777 1 14 . 1 1 46 46 GLN C C 43 178.167 178.167 177.946 0.221 17835 5778 1 14 . 1 1 46 46 GLN CA C 43 59.066 59.066 58.543 0.523 17835 5779 1 14 . 1 1 46 46 GLN CB C 43 27.702 27.702 28.145 -0.443 17835 5780 1 14 . 1 1 46 46 GLN H H 43 8.567 8.567 7.892 0.675 17835 5781 1 14 . 1 1 47 47 LEU N N 44 116.472 116.472 118.533 -2.061 17835 5782 1 14 . 1 1 47 47 LEU HA H 44 4.255 4.255 4.166 0.089 17835 5783 1 14 . 1 1 47 47 LEU C C 44 176.103 176.103 178.130 -2.027 17835 5784 1 14 . 1 1 47 47 LEU CA C 44 55.308 55.308 56.148 -0.840 17835 5785 1 14 . 1 1 47 47 LEU CB C 44 41.374 41.374 42.829 -1.455 17835 5786 1 14 . 1 1 47 47 LEU H H 44 7.544 7.544 8.255 -0.711 17835 5787 1 14 . 1 1 48 48 GLY N N 45 104.932 104.932 103.670 1.262 17835 5788 1 14 . 1 1 48 48 GLY C C 45 173.844 173.844 174.404 -0.560 17835 5789 1 14 . 1 1 48 48 GLY CA C 45 44.826 44.826 44.402 0.424 17835 5790 1 14 . 1 1 48 48 GLY H H 45 7.741 7.741 7.888 -0.147 17835 5791 1 14 . 1 1 49 49 TYR N N 46 119.946 119.946 121.108 -1.162 17835 5792 1 14 . 1 1 49 49 TYR HA H 46 4.839 4.839 4.864 -0.025 17835 5793 1 14 . 1 1 49 49 TYR C C 46 174.575 174.575 174.969 -0.394 17835 5794 1 14 . 1 1 49 49 TYR CA C 46 56.349 56.349 56.036 0.313 17835 5795 1 14 . 1 1 49 49 TYR CB C 46 41.464 41.464 38.432 3.032 17835 5796 1 14 . 1 1 49 49 TYR H H 46 8.332 8.332 7.939 0.393 17835 5797 1 14 . 1 1 50 50 PRO HA H 47 4.556 4.556 4.455 0.101 17835 5798 1 14 . 1 1 50 50 PRO C C 47 177.125 177.125 176.846 0.279 17835 5799 1 14 . 1 1 50 50 PRO CA C 47 64.115 64.115 64.767 -0.652 17835 5800 1 14 . 1 1 50 50 PRO CB C 47 32.152 32.152 31.996 0.156 17835 5801 1 14 . 1 1 51 51 THR N N 48 105.643 105.643 106.553 -0.910 17835 5802 1 14 . 1 1 51 51 THR HA H 48 4.129 4.129 4.435 -0.306 17835 5803 1 14 . 1 1 51 51 THR C C 48 173.270 173.270 174.688 -1.418 17835 5804 1 14 . 1 1 51 51 THR CA C 48 58.738 58.738 59.613 -0.875 17835 5805 1 14 . 1 1 51 51 THR CB C 48 73.254 73.254 72.521 0.733 17835 5806 1 14 . 1 1 51 51 THR H H 48 6.939 6.939 7.628 -0.689 17835 5807 1 14 . 1 1 52 52 LEU N N 49 121.743 121.743 122.888 -1.145 17835 5808 1 14 . 1 1 52 52 LEU HA H 49 3.325 3.325 3.852 -0.527 17835 5809 1 14 . 1 1 52 52 LEU C C 49 178.195 178.195 178.768 -0.573 17835 5810 1 14 . 1 1 52 52 LEU CA C 49 57.551 57.551 57.476 0.075 17835 5811 1 14 . 1 1 52 52 LEU CB C 49 40.517 40.517 40.311 0.206 17835 5812 1 14 . 1 1 52 52 LEU H H 49 7.849 7.849 8.231 -0.382 17835 5813 1 14 . 1 1 53 53 GLU N N 50 118.706 118.706 119.034 -0.328 17835 5814 1 14 . 1 1 53 53 GLU HA H 50 3.411 3.411 3.885 -0.474 17835 5815 1 14 . 1 1 53 53 GLU C C 50 176.853 176.853 178.502 -1.649 17835 5816 1 14 . 1 1 53 53 GLU CA C 50 60.720 60.720 59.430 1.290 17835 5817 1 14 . 1 1 53 53 GLU CB C 50 28.696 28.696 28.741 -0.045 17835 5818 1 14 . 1 1 53 53 GLU H H 50 8.981 8.981 8.743 0.238 17835 5819 1 14 . 1 1 54 54 ALA N N 51 119.673 119.673 122.668 -2.995 17835 5820 1 14 . 1 1 54 54 ALA HA H 51 3.885 3.885 4.024 -0.139 17835 5821 1 14 . 1 1 54 54 ALA C C 51 180.232 180.232 179.416 0.816 17835 5822 1 14 . 1 1 54 54 ALA CA C 51 55.127 55.127 55.056 0.071 17835 5823 1 14 . 1 1 54 54 ALA CB C 51 18.345 18.345 18.473 -0.128 17835 5824 1 14 . 1 1 54 54 ALA H H 51 8.001 8.001 7.742 0.259 17835 5825 1 14 . 1 1 55 55 TYR N N 52 117.474 117.474 120.384 -2.910 17835 5826 1 14 . 1 1 55 55 TYR HA H 52 2.898 2.898 3.277 -0.379 17835 5827 1 14 . 1 1 55 55 TYR C C 52 178.563 178.563 177.590 0.973 17835 5828 1 14 . 1 1 55 55 TYR CA C 52 59.876 59.876 61.224 -1.348 17835 5829 1 14 . 1 1 55 55 TYR CB C 52 37.365 37.365 38.229 -0.864 17835 5830 1 14 . 1 1 55 55 TYR H H 52 7.218 7.218 8.013 -0.795 17835 5831 1 14 . 1 1 56 56 LEU N N 53 121.106 121.106 118.298 2.808 17835 5832 1 14 . 1 1 56 56 LEU HA H 53 3.221 3.221 3.611 -0.390 17835 5833 1 14 . 1 1 56 56 LEU C C 53 179.706 179.706 179.267 0.439 17835 5834 1 14 . 1 1 56 56 LEU CA C 53 57.334 57.334 57.555 -0.221 17835 5835 1 14 . 1 1 56 56 LEU CB C 53 40.788 40.788 41.551 -0.763 17835 5836 1 14 . 1 1 56 56 LEU H H 53 8.440 8.440 8.233 0.207 17835 5837 1 14 . 1 1 57 57 ARG N N 54 116.303 116.303 119.955 -3.652 17835 5838 1 14 . 1 1 57 57 ARG HA H 54 3.722 3.722 4.005 -0.283 17835 5839 1 14 . 1 1 57 57 ARG C C 54 176.071 176.071 177.765 -1.694 17835 5840 1 14 . 1 1 57 57 ARG CA C 54 58.463 58.463 58.638 -0.174 17835 5841 1 14 . 1 1 57 57 ARG CB C 54 29.735 29.735 29.921 -0.186 17835 5842 1 14 . 1 1 57 57 ARG H H 54 7.998 7.998 8.601 -0.603 17835 5843 1 14 . 1 1 58 58 SER N N 55 115.365 115.365 113.605 1.760 17835 5844 1 14 . 1 1 58 58 SER HA H 55 4.357 4.357 4.377 -0.020 17835 5845 1 14 . 1 1 58 58 SER C C 55 173.970 173.970 174.182 -0.212 17835 5846 1 14 . 1 1 58 58 SER CA C 55 59.762 59.762 59.989 -0.227 17835 5847 1 14 . 1 1 58 58 SER CB C 55 63.886 63.886 63.315 0.571 17835 5848 1 14 . 1 1 58 58 SER H H 55 7.491 7.491 7.492 -0.001 17835 5849 1 14 . 1 1 59 59 VAL N N 56 113.059 113.059 120.603 -7.544 17835 5850 1 14 . 1 1 59 59 VAL HA H 56 5.090 5.090 4.578 0.512 17835 5851 1 14 . 1 1 59 59 VAL C C 56 174.276 174.276 173.859 0.417 17835 5852 1 14 . 1 1 59 59 VAL CA C 56 58.444 58.444 58.859 -0.415 17835 5853 1 14 . 1 1 59 59 VAL CB C 56 31.559 31.559 32.486 -0.927 17835 5854 1 14 . 1 1 59 59 VAL H H 56 6.729 6.729 7.206 -0.477 17835 5855 1 14 . 1 1 60 60 PRO HA H 57 4.902 4.902 4.710 0.192 17835 5856 1 14 . 1 1 60 60 PRO C C 57 177.563 177.563 177.242 0.321 17835 5857 1 14 . 1 1 60 60 PRO CA C 57 64.541 64.541 64.552 -0.010 17835 5858 1 14 . 1 1 60 60 PRO CB C 57 31.768 31.768 31.779 -0.011 17835 5859 1 14 . 1 1 61 61 ALA N N 58 120.004 120.004 120.073 -0.069 17835 5860 1 14 . 1 1 61 61 ALA HA H 58 4.327 4.327 4.280 0.047 17835 5861 1 14 . 1 1 61 61 ALA C C 58 177.191 177.191 177.852 -0.661 17835 5862 1 14 . 1 1 61 61 ALA CA C 58 52.795 52.795 53.556 -0.762 17835 5863 1 14 . 1 1 61 61 ALA CB C 58 18.427 18.427 19.325 -0.898 17835 5864 1 14 . 1 1 61 61 ALA H H 58 8.397 8.397 8.064 0.333 17835 5865 1 14 . 1 1 62 62 VAL N N 59 116.635 116.635 113.147 3.488 17835 5866 1 14 . 1 1 62 62 VAL HA H 59 4.032 4.032 4.388 -0.356 17835 5867 1 14 . 1 1 62 62 VAL C C 59 174.238 174.238 175.091 -0.853 17835 5868 1 14 . 1 1 62 62 VAL CA C 59 63.741 63.741 62.865 0.876 17835 5869 1 14 . 1 1 62 62 VAL CB C 59 34.115 34.115 34.990 -0.875 17835 5870 1 14 . 1 1 62 62 VAL H H 59 8.080 8.080 7.687 0.393 17835 5871 1 14 . 1 1 63 63 VAL N N 60 117.153 117.153 119.462 -2.309 17835 5872 1 14 . 1 1 63 63 VAL HA H 60 4.911 4.911 4.591 0.320 17835 5873 1 14 . 1 1 63 63 VAL C C 60 172.258 172.258 173.630 -1.372 17835 5874 1 14 . 1 1 63 63 VAL CA C 60 59.006 59.006 61.028 -2.022 17835 5875 1 14 . 1 1 63 63 VAL CB C 60 35.461 35.461 36.344 -0.884 17835 5876 1 14 . 1 1 63 63 VAL H H 60 7.791 7.791 8.218 -0.427 17835 5877 1 14 . 1 1 64 64 ARG N N 61 129.658 129.658 121.703 7.955 17835 5878 1 14 . 1 1 64 64 ARG HA H 61 4.727 4.727 4.697 0.030 17835 5879 1 14 . 1 1 64 64 ARG C C 61 174.437 174.437 173.606 0.831 17835 5880 1 14 . 1 1 64 64 ARG CA C 61 54.117 54.117 55.512 -1.395 17835 5881 1 14 . 1 1 64 64 ARG CB C 61 32.754 32.754 34.200 -1.446 17835 5882 1 14 . 1 1 64 64 ARG H H 61 9.208 9.208 8.972 0.236 17835 5883 1 14 . 1 1 65 65 ILE N N 62 125.775 125.775 117.979 7.796 17835 5884 1 14 . 1 1 65 65 ILE HA H 62 4.917 4.917 5.348 -0.431 17835 5885 1 14 . 1 1 65 65 ILE C C 62 175.842 175.842 174.540 1.302 17835 5886 1 14 . 1 1 65 65 ILE CA C 62 59.545 59.545 59.851 -0.306 17835 5887 1 14 . 1 1 65 65 ILE CB C 62 39.645 39.645 42.432 -2.787 17835 5888 1 14 . 1 1 65 65 ILE H H 62 8.736 8.736 8.304 0.432 17835 5889 1 14 . 1 1 66 66 GLU N N 63 127.114 127.114 122.972 4.142 17835 5890 1 14 . 1 1 66 66 GLU HA H 63 4.677 4.677 4.716 -0.039 17835 5891 1 14 . 1 1 66 66 GLU C C 63 174.409 174.409 175.365 -0.956 17835 5892 1 14 . 1 1 66 66 GLU CA C 63 54.791 54.791 55.241 -0.450 17835 5893 1 14 . 1 1 66 66 GLU CB C 63 33.078 33.078 32.212 0.867 17835 5894 1 14 . 1 1 66 66 GLU H H 63 9.197 9.197 9.041 0.156 17835 5895 1 14 . 1 1 67 67 ALA N N 64 127.913 127.913 129.986 -2.073 17835 5896 1 14 . 1 1 67 67 ALA HA H 64 5.026 5.026 4.664 0.362 17835 5897 1 14 . 1 1 67 67 ALA C C 64 177.717 177.717 177.178 0.539 17835 5898 1 14 . 1 1 67 67 ALA CA C 64 51.070 51.070 51.730 -0.659 17835 5899 1 14 . 1 1 67 67 ALA CB C 64 19.550 19.550 18.932 0.618 17835 5900 1 14 . 1 1 67 67 ALA H H 64 8.779 8.779 8.666 0.113 17835 5901 1 14 . 1 1 68 68 SER N N 65 119.364 119.364 119.635 -0.271 17835 5902 1 14 . 1 1 68 68 SER HA H 65 4.665 4.665 4.540 0.125 17835 5903 1 14 . 1 1 68 68 SER C C 65 176.518 176.518 176.678 -0.160 17835 5904 1 14 . 1 1 68 68 SER CA C 65 57.096 57.096 56.978 0.118 17835 5905 1 14 . 1 1 68 68 SER CB C 65 65.234 65.234 64.210 1.024 17835 5906 1 14 . 1 1 68 68 SER H H 65 8.951 8.951 8.734 0.217 17835 5907 1 14 . 1 1 69 69 ARG N N 66 123.143 123.143 126.382 -3.239 17835 5908 1 14 . 1 1 69 69 ARG HA H 66 4.153 4.153 4.175 -0.022 17835 5909 1 14 . 1 1 69 69 ARG C C 66 177.356 177.356 176.512 0.844 17835 5910 1 14 . 1 1 69 69 ARG CA C 66 58.973 58.973 58.222 0.751 17835 5911 1 14 . 1 1 69 69 ARG CB C 66 29.659 29.659 28.918 0.741 17835 5912 1 14 . 1 1 69 69 ARG H H 66 9.075 9.075 8.942 0.133 17835 5913 1 14 . 1 1 70 70 SER N N 67 112.081 112.081 115.366 -3.285 17835 5914 1 14 . 1 1 70 70 SER HA H 67 4.416 4.416 4.368 0.048 17835 5915 1 14 . 1 1 70 70 SER C C 67 175.146 175.146 175.260 -0.114 17835 5916 1 14 . 1 1 70 70 SER CA C 67 58.413 58.413 58.386 0.027 17835 5917 1 14 . 1 1 70 70 SER CB C 67 63.477 63.477 63.554 -0.077 17835 5918 1 14 . 1 1 70 70 SER H H 67 8.083 8.083 7.710 0.373 17835 5919 1 14 . 1 1 71 71 GLY N N 68 110.519 110.519 109.331 1.188 17835 5920 1 14 . 1 1 71 71 GLY C C 68 174.116 174.116 173.522 0.594 17835 5921 1 14 . 1 1 71 71 GLY CA C 68 45.114 45.114 45.194 -0.080 17835 5922 1 14 . 1 1 71 71 GLY H H 68 7.974 7.974 7.854 0.120 17835 5923 1 14 . 1 1 72 72 GLU N N 69 120.663 120.663 119.114 1.549 17835 5924 1 14 . 1 1 72 72 GLU HA H 69 4.289 4.289 4.694 -0.405 17835 5925 1 14 . 1 1 72 72 GLU C C 69 175.352 175.352 174.353 0.999 17835 5926 1 14 . 1 1 72 72 GLU CA C 69 56.082 56.082 54.460 1.622 17835 5927 1 14 . 1 1 72 72 GLU CB C 69 30.517 30.517 32.931 -2.414 17835 5928 1 14 . 1 1 72 72 GLU H H 69 7.630 7.630 7.572 0.058 17835 5929 1 14 . 1 1 73 73 ILE N N 70 125.775 125.775 121.303 4.472 17835 5930 1 14 . 1 1 73 73 ILE HA H 70 4.367 4.367 4.993 -0.626 17835 5931 1 14 . 1 1 73 73 ILE C C 70 174.613 174.613 173.604 1.009 17835 5932 1 14 . 1 1 73 73 ILE CA C 70 60.876 60.876 59.264 1.612 17835 5933 1 14 . 1 1 73 73 ILE CB C 70 37.465 37.465 41.755 -4.290 17835 5934 1 14 . 1 1 73 73 ILE H H 70 8.753 8.753 8.377 0.376 17835 5935 1 14 . 1 1 74 74 VAL N N 71 128.300 128.300 127.340 0.960 17835 5936 1 14 . 1 1 74 74 VAL HA H 71 4.153 4.153 4.411 -0.258 17835 5937 1 14 . 1 1 74 74 VAL C C 71 173.544 173.544 174.708 -1.164 17835 5938 1 14 . 1 1 74 74 VAL CA C 71 61.736 61.736 60.812 0.924 17835 5939 1 14 . 1 1 74 74 VAL CB C 71 33.763 33.763 33.574 0.189 17835 5940 1 14 . 1 1 74 74 VAL H H 71 8.724 8.724 8.548 0.176 17835 5941 1 14 . 1 1 75 75 CYS N N 72 122.823 122.823 125.320 -2.497 17835 5942 1 14 . 1 1 75 75 CYS HA H 72 4.948 4.948 5.035 -0.087 17835 5943 1 14 . 1 1 75 75 CYS C C 72 173.200 173.200 174.136 -0.936 17835 5944 1 14 . 1 1 75 75 CYS CA C 72 57.176 57.176 56.969 0.207 17835 5945 1 14 . 1 1 75 75 CYS CB C 72 29.712 29.712 28.551 1.161 17835 5946 1 14 . 1 1 75 75 CYS H H 72 8.200 8.200 8.802 -0.602 17835 5947 1 14 . 1 1 76 76 TYR N N 73 119.584 119.584 119.001 0.583 17835 5948 1 14 . 1 1 76 76 TYR HA H 73 5.013 5.013 4.726 0.287 17835 5949 1 14 . 1 1 76 76 TYR C C 73 175.779 175.779 174.732 1.047 17835 5950 1 14 . 1 1 76 76 TYR CA C 73 56.289 56.289 57.075 -0.786 17835 5951 1 14 . 1 1 76 76 TYR CB C 73 42.505 42.505 42.960 -0.455 17835 5952 1 14 . 1 1 76 76 TYR H H 73 9.265 9.265 9.274 -0.009 17835 5953 1 14 . 1 1 77 77 ALA N N 74 122.844 122.844 121.805 1.039 17835 5954 1 14 . 1 1 77 77 ALA HA H 74 4.423 4.423 4.582 -0.159 17835 5955 1 14 . 1 1 77 77 ALA C C 74 177.907 177.907 175.692 2.215 17835 5956 1 14 . 1 1 77 77 ALA CA C 74 52.151 52.151 51.439 0.712 17835 5957 1 14 . 1 1 77 77 ALA CB C 74 18.915 18.915 20.641 -1.726 17835 5958 1 14 . 1 1 77 77 ALA H H 74 9.145 9.145 8.933 0.212 17835 5959 1 14 . 1 1 78 78 VAL N N 75 123.434 123.434 117.218 6.216 17835 5960 1 14 . 1 1 78 78 VAL HA H 75 3.826 3.826 4.360 -0.534 17835 5961 1 14 . 1 1 78 78 VAL C C 75 174.995 174.995 174.755 0.240 17835 5962 1 14 . 1 1 78 78 VAL CA C 75 63.379 63.379 62.188 1.191 17835 5963 1 14 . 1 1 78 78 VAL CB C 75 32.715 32.715 35.227 -2.512 17835 5964 1 14 . 1 1 78 78 VAL H H 75 7.894 7.894 8.622 -0.728 17835 5965 1 15 . 1 1 5 5 LEU N N 2 124.907 124.907 122.257 2.650 17835 5966 1 15 . 1 1 5 5 LEU HA H 2 4.299 4.299 4.337 -0.038 17835 5967 1 15 . 1 1 5 5 LEU C C 2 177.892 177.892 178.123 -0.231 17835 5968 1 15 . 1 1 5 5 LEU CA C 2 55.749 55.749 54.606 1.143 17835 5969 1 15 . 1 1 5 5 LEU CB C 2 42.001 42.001 42.520 -0.519 17835 5970 1 15 . 1 1 5 5 LEU H H 2 8.636 8.636 8.430 0.206 17835 5971 1 15 . 1 1 6 6 GLU N N 3 122.649 122.649 121.978 0.671 17835 5972 1 15 . 1 1 6 6 GLU HA H 3 4.172 4.172 3.961 0.211 17835 5973 1 15 . 1 1 6 6 GLU C C 3 177.481 177.481 178.548 -1.067 17835 5974 1 15 . 1 1 6 6 GLU CA C 3 58.106 58.106 60.061 -1.955 17835 5975 1 15 . 1 1 6 6 GLU CB C 3 28.874 28.874 29.715 -0.841 17835 5976 1 15 . 1 1 6 6 GLU H H 3 8.594 8.594 8.951 -0.357 17835 5977 1 15 . 1 1 7 7 ALA N N 4 121.929 121.929 121.345 0.584 17835 5978 1 15 . 1 1 7 7 ALA HA H 4 3.944 3.944 4.174 -0.230 17835 5979 1 15 . 1 1 7 7 ALA C C 4 180.419 180.419 179.400 1.019 17835 5980 1 15 . 1 1 7 7 ALA CA C 4 55.686 55.686 55.133 0.553 17835 5981 1 15 . 1 1 7 7 ALA CB C 4 18.587 18.587 17.932 0.655 17835 5982 1 15 . 1 1 7 7 ALA H H 4 8.744 8.744 8.364 0.380 17835 5983 1 15 . 1 1 8 8 ASP N N 5 117.514 117.514 119.455 -1.941 17835 5984 1 15 . 1 1 8 8 ASP HA H 5 4.482 4.482 4.481 0.001 17835 5985 1 15 . 1 1 8 8 ASP C C 5 178.010 178.010 178.232 -0.222 17835 5986 1 15 . 1 1 8 8 ASP CA C 5 56.603 56.603 56.844 -0.241 17835 5987 1 15 . 1 1 8 8 ASP CB C 5 40.353 40.353 40.690 -0.337 17835 5988 1 15 . 1 1 8 8 ASP H H 5 8.071 8.071 8.267 -0.196 17835 5989 1 15 . 1 1 9 9 LEU N N 6 122.640 122.640 121.103 1.537 17835 5990 1 15 . 1 1 9 9 LEU HA H 6 4.165 4.165 4.017 0.148 17835 5991 1 15 . 1 1 9 9 LEU C C 6 178.699 178.699 178.476 0.223 17835 5992 1 15 . 1 1 9 9 LEU CA C 6 57.986 57.986 58.336 -0.350 17835 5993 1 15 . 1 1 9 9 LEU CB C 6 41.675 41.675 42.105 -0.430 17835 5994 1 15 . 1 1 9 9 LEU H H 6 7.713 7.713 8.183 -0.470 17835 5995 1 15 . 1 1 10 10 VAL N N 7 119.303 119.303 116.062 3.241 17835 5996 1 15 . 1 1 10 10 VAL HA H 7 4.025 4.025 3.846 0.179 17835 5997 1 15 . 1 1 10 10 VAL C C 7 178.570 178.570 177.860 0.710 17835 5998 1 15 . 1 1 10 10 VAL CA C 7 65.683 65.683 66.672 -0.989 17835 5999 1 15 . 1 1 10 10 VAL CB C 7 31.841 31.841 31.340 0.501 17835 6000 1 15 . 1 1 10 10 VAL H H 7 8.115 8.115 8.119 -0.004 17835 6001 1 15 . 1 1 11 11 SER N N 8 113.146 113.146 118.445 -5.299 17835 6002 1 15 . 1 1 11 11 SER HA H 8 4.042 4.042 4.319 -0.277 17835 6003 1 15 . 1 1 11 11 SER C C 8 176.364 176.364 176.808 -0.444 17835 6004 1 15 . 1 1 11 11 SER CA C 8 62.600 62.600 61.879 0.721 17835 6005 1 15 . 1 1 11 11 SER CB C 8 61.596 61.596 63.160 -1.563 17835 6006 1 15 . 1 1 11 11 SER H H 8 7.796 7.796 8.304 -0.508 17835 6007 1 15 . 1 1 12 12 LYS N N 9 121.690 121.690 122.548 -0.858 17835 6008 1 15 . 1 1 12 12 LYS HA H 9 4.044 4.044 4.043 0.001 17835 6009 1 15 . 1 1 12 12 LYS C C 9 180.048 180.048 179.181 0.867 17835 6010 1 15 . 1 1 12 12 LYS CA C 9 60.002 60.002 59.605 0.397 17835 6011 1 15 . 1 1 12 12 LYS CB C 9 32.839 32.839 32.483 0.356 17835 6012 1 15 . 1 1 12 12 LYS H H 9 7.754 7.754 8.136 -0.382 17835 6013 1 15 . 1 1 13 13 MET N N 10 119.794 119.794 118.889 0.905 17835 6014 1 15 . 1 1 13 13 MET HA H 10 4.420 4.420 4.129 0.291 17835 6015 1 15 . 1 1 13 13 MET C C 10 178.151 178.151 178.392 -0.241 17835 6016 1 15 . 1 1 13 13 MET CA C 10 57.095 57.095 59.124 -2.029 17835 6017 1 15 . 1 1 13 13 MET CB C 10 31.599 31.599 32.655 -1.056 17835 6018 1 15 . 1 1 13 13 MET H H 10 8.451 8.451 8.399 0.052 17835 6019 1 15 . 1 1 14 14 LEU N N 11 122.035 122.035 122.205 -0.170 17835 6020 1 15 . 1 1 14 14 LEU HA H 11 4.207 4.207 4.134 0.073 17835 6021 1 15 . 1 1 14 14 LEU C C 11 178.526 178.526 177.958 0.568 17835 6022 1 15 . 1 1 14 14 LEU CA C 11 58.178 58.178 59.189 -1.011 17835 6023 1 15 . 1 1 14 14 LEU CB C 11 42.148 42.148 41.785 0.363 17835 6024 1 15 . 1 1 14 14 LEU H H 11 9.301 9.301 8.769 0.532 17835 6025 1 15 . 1 1 15 15 ARG N N 12 118.150 118.150 119.340 -1.190 17835 6026 1 15 . 1 1 15 15 ARG HA H 12 3.839 3.839 3.865 -0.026 17835 6027 1 15 . 1 1 15 15 ARG C C 12 177.951 177.951 178.398 -0.447 17835 6028 1 15 . 1 1 15 15 ARG CA C 12 60.500 60.500 59.234 1.266 17835 6029 1 15 . 1 1 15 15 ARG CB C 12 29.966 29.966 29.777 0.189 17835 6030 1 15 . 1 1 15 15 ARG H H 12 8.248 8.248 8.388 -0.140 17835 6031 1 15 . 1 1 16 16 ALA N N 13 120.291 120.291 121.492 -1.201 17835 6032 1 15 . 1 1 16 16 ALA HA H 13 4.150 4.150 4.094 0.056 17835 6033 1 15 . 1 1 16 16 ALA C C 13 181.072 181.072 179.845 1.227 17835 6034 1 15 . 1 1 16 16 ALA CA C 13 55.371 55.371 55.018 0.353 17835 6035 1 15 . 1 1 16 16 ALA CB C 13 17.845 17.845 18.145 -0.300 17835 6036 1 15 . 1 1 16 16 ALA H H 13 7.587 7.587 8.205 -0.618 17835 6037 1 15 . 1 1 17 17 VAL N N 14 119.183 119.183 119.451 -0.268 17835 6038 1 15 . 1 1 17 17 VAL HA H 14 3.858 3.858 3.369 0.489 17835 6039 1 15 . 1 1 17 17 VAL C C 14 178.531 178.531 177.949 0.582 17835 6040 1 15 . 1 1 17 17 VAL CA C 14 65.552 65.552 67.425 -1.873 17835 6041 1 15 . 1 1 17 17 VAL CB C 14 32.190 32.190 31.521 0.669 17835 6042 1 15 . 1 1 17 17 VAL H H 14 8.324 8.324 8.075 0.249 17835 6043 1 15 . 1 1 18 18 LEU N N 15 120.498 120.498 119.015 1.483 17835 6044 1 15 . 1 1 18 18 LEU HA H 15 3.985 3.985 3.938 0.047 17835 6045 1 15 . 1 1 18 18 LEU C C 15 179.935 179.935 179.081 0.854 17835 6046 1 15 . 1 1 18 18 LEU CA C 15 58.474 58.474 57.695 0.779 17835 6047 1 15 . 1 1 18 18 LEU CB C 15 41.885 41.885 41.334 0.551 17835 6048 1 15 . 1 1 18 18 LEU H H 15 8.388 8.388 7.984 0.404 17835 6049 1 15 . 1 1 19 19 GLN N N 16 117.835 117.835 117.241 0.594 17835 6050 1 15 . 1 1 19 19 GLN HA H 16 3.981 3.981 4.077 -0.096 17835 6051 1 15 . 1 1 19 19 GLN C C 16 177.304 177.304 178.758 -1.454 17835 6052 1 15 . 1 1 19 19 GLN CA C 16 58.668 58.668 58.166 0.502 17835 6053 1 15 . 1 1 19 19 GLN CB C 16 28.274 28.274 28.506 -0.232 17835 6054 1 15 . 1 1 19 19 GLN H H 16 8.689 8.689 8.224 0.465 17835 6055 1 15 . 1 1 20 20 SER N N 17 111.043 111.043 115.335 -4.292 17835 6056 1 15 . 1 1 20 20 SER HA H 17 4.386 4.386 4.342 0.044 17835 6057 1 15 . 1 1 20 20 SER C C 17 173.630 173.630 176.193 -2.563 17835 6058 1 15 . 1 1 20 20 SER CA C 17 59.252 59.252 60.856 -1.604 17835 6059 1 15 . 1 1 20 20 SER CB C 17 63.600 63.600 63.762 -0.162 17835 6060 1 15 . 1 1 20 20 SER H H 17 7.461 7.461 8.022 -0.561 17835 6061 1 15 . 1 1 21 21 HIS N N 18 121.324 121.324 120.095 1.229 17835 6062 1 15 . 1 1 21 21 HIS HA H 18 4.824 4.824 4.850 -0.026 17835 6063 1 15 . 1 1 21 21 HIS C C 18 174.835 174.835 175.050 -0.215 17835 6064 1 15 . 1 1 21 21 HIS CA C 18 54.386 54.386 52.614 1.772 17835 6065 1 15 . 1 1 21 21 HIS CB C 18 28.657 28.657 27.682 0.975 17835 6066 1 15 . 1 1 21 21 HIS H H 18 7.692 7.692 8.065 -0.373 17835 6067 1 15 . 1 1 22 22 LYS N N 19 123.925 123.925 121.294 2.631 17835 6068 1 15 . 1 1 22 22 LYS HA H 19 4.161 4.161 4.242 -0.081 17835 6069 1 15 . 1 1 22 22 LYS C C 19 177.562 177.562 177.965 -0.403 17835 6070 1 15 . 1 1 22 22 LYS CA C 19 59.316 59.316 58.278 1.038 17835 6071 1 15 . 1 1 22 22 LYS CB C 19 32.202 32.202 31.943 0.259 17835 6072 1 15 . 1 1 22 22 LYS H H 19 8.809 8.809 7.786 1.023 17835 6073 1 15 . 1 1 23 23 ASN N N 20 115.473 115.473 115.798 -0.325 17835 6074 1 15 . 1 1 23 23 ASN HA H 20 5.073 5.073 4.718 0.355 17835 6075 1 15 . 1 1 23 23 ASN C C 20 174.783 174.783 175.692 -0.909 17835 6076 1 15 . 1 1 23 23 ASN CA C 20 52.835 52.835 53.451 -0.616 17835 6077 1 15 . 1 1 23 23 ASN CB C 20 38.540 38.540 38.978 -0.438 17835 6078 1 15 . 1 1 23 23 ASN H H 20 8.784 8.784 8.193 0.591 17835 6079 1 15 . 1 1 24 24 GLY N N 21 107.402 107.402 107.456 -0.054 17835 6080 1 15 . 1 1 24 24 GLY C C 21 172.572 172.572 173.003 -0.431 17835 6081 1 15 . 1 1 24 24 GLY CA C 21 44.739 44.739 44.402 0.337 17835 6082 1 15 . 1 1 24 24 GLY H H 21 7.743 7.743 7.859 -0.116 17835 6083 1 15 . 1 1 25 25 ILE N N 22 117.796 117.796 115.964 1.832 17835 6084 1 15 . 1 1 25 25 ILE HA H 22 4.272 4.272 4.589 -0.317 17835 6085 1 15 . 1 1 25 25 ILE C C 22 175.452 175.452 175.233 0.219 17835 6086 1 15 . 1 1 25 25 ILE CA C 22 59.468 59.468 59.682 -0.214 17835 6087 1 15 . 1 1 25 25 ILE CB C 22 41.833 41.833 40.822 1.011 17835 6088 1 15 . 1 1 25 25 ILE H H 22 8.509 8.509 8.081 0.428 17835 6089 1 15 . 1 1 26 26 VAL N N 23 124.597 124.597 122.159 2.438 17835 6090 1 15 . 1 1 26 26 VAL HA H 23 4.585 4.585 4.502 0.083 17835 6091 1 15 . 1 1 26 26 VAL C C 23 177.566 177.566 177.704 -0.138 17835 6092 1 15 . 1 1 26 26 VAL CA C 23 62.227 62.227 62.124 0.103 17835 6093 1 15 . 1 1 26 26 VAL CB C 23 31.945 31.945 31.924 0.021 17835 6094 1 15 . 1 1 26 26 VAL H H 23 8.524 8.524 8.397 0.127 17835 6095 1 15 . 1 1 27 27 LEU N N 24 124.858 124.858 122.524 2.334 17835 6096 1 15 . 1 1 27 27 LEU HA H 24 4.011 4.011 4.373 -0.362 17835 6097 1 15 . 1 1 27 27 LEU C C 24 175.569 175.569 176.524 -0.955 17835 6098 1 15 . 1 1 27 27 LEU CA C 24 60.394 60.394 59.077 1.317 17835 6099 1 15 . 1 1 27 27 LEU CB C 24 39.402 39.402 38.794 0.608 17835 6100 1 15 . 1 1 27 27 LEU H H 24 8.816 8.816 8.376 0.440 17835 6101 1 15 . 1 1 28 28 PRO HA H 25 4.401 4.401 4.264 0.137 17835 6102 1 15 . 1 1 28 28 PRO C C 25 177.600 177.600 179.253 -1.653 17835 6103 1 15 . 1 1 28 28 PRO CA C 25 65.549 65.549 65.875 -0.326 17835 6104 1 15 . 1 1 28 28 PRO CB C 25 31.458 31.458 30.831 0.627 17835 6105 1 15 . 1 1 29 29 ARG N N 26 115.136 115.136 119.284 -4.148 17835 6106 1 15 . 1 1 29 29 ARG HA H 26 4.511 4.511 4.111 0.400 17835 6107 1 15 . 1 1 29 29 ARG C C 26 177.152 177.152 178.223 -1.071 17835 6108 1 15 . 1 1 29 29 ARG CA C 26 55.853 55.853 59.309 -3.456 17835 6109 1 15 . 1 1 29 29 ARG CB C 26 30.981 30.981 29.972 1.009 17835 6110 1 15 . 1 1 29 29 ARG H H 26 7.869 7.869 7.800 0.069 17835 6111 1 15 . 1 1 30 30 LEU N N 27 122.984 122.984 121.887 1.097 17835 6112 1 15 . 1 1 30 30 LEU HA H 27 3.842 3.842 3.974 -0.132 17835 6113 1 15 . 1 1 30 30 LEU C C 27 177.872 177.872 178.510 -0.638 17835 6114 1 15 . 1 1 30 30 LEU CA C 27 59.458 59.458 58.655 0.803 17835 6115 1 15 . 1 1 30 30 LEU CB C 27 42.326 42.326 41.353 0.973 17835 6116 1 15 . 1 1 30 30 LEU H H 27 7.870 7.870 8.645 -0.775 17835 6117 1 15 . 1 1 31 31 GLN N N 28 117.382 117.382 117.718 -0.336 17835 6118 1 15 . 1 1 31 31 GLN HA H 28 4.689 4.689 4.056 0.633 17835 6119 1 15 . 1 1 31 31 GLN C C 28 178.888 178.888 179.093 -0.205 17835 6120 1 15 . 1 1 31 31 GLN CA C 28 60.243 60.243 59.735 0.508 17835 6121 1 15 . 1 1 31 31 GLN CB C 28 27.811 27.811 28.434 -0.623 17835 6122 1 15 . 1 1 31 31 GLN H H 28 9.217 9.217 8.194 1.023 17835 6123 1 15 . 1 1 32 32 GLY N N 29 105.066 105.066 107.891 -2.825 17835 6124 1 15 . 1 1 32 32 GLY C C 29 177.579 177.579 176.680 0.899 17835 6125 1 15 . 1 1 32 32 GLY CA C 29 47.254 47.254 47.355 -0.101 17835 6126 1 15 . 1 1 32 32 GLY H H 29 8.680 8.680 8.583 0.097 17835 6127 1 15 . 1 1 33 33 GLU N N 30 121.593 121.593 122.775 -1.182 17835 6128 1 15 . 1 1 33 33 GLU HA H 30 4.274 4.274 4.185 0.089 17835 6129 1 15 . 1 1 33 33 GLU C C 30 179.316 179.316 178.749 0.567 17835 6130 1 15 . 1 1 33 33 GLU CA C 30 59.068 59.068 58.816 0.252 17835 6131 1 15 . 1 1 33 33 GLU CB C 30 29.077 29.077 29.433 -0.357 17835 6132 1 15 . 1 1 33 33 GLU H H 30 8.063 8.063 8.321 -0.258 17835 6133 1 15 . 1 1 34 34 TYR N N 31 123.143 123.143 122.314 0.829 17835 6134 1 15 . 1 1 34 34 TYR HA H 31 4.083 4.083 4.055 0.028 17835 6135 1 15 . 1 1 34 34 TYR C C 31 178.379 178.379 177.332 1.047 17835 6136 1 15 . 1 1 34 34 TYR CA C 31 62.406 62.406 61.584 0.821 17835 6137 1 15 . 1 1 34 34 TYR CB C 31 39.405 39.405 38.489 0.916 17835 6138 1 15 . 1 1 34 34 TYR H H 31 9.063 9.063 8.822 0.241 17835 6139 1 15 . 1 1 35 35 ARG N N 32 123.458 123.458 119.179 4.279 17835 6140 1 15 . 1 1 35 35 ARG HA H 32 4.281 4.281 3.906 0.375 17835 6141 1 15 . 1 1 35 35 ARG C C 32 180.186 180.186 178.837 1.349 17835 6142 1 15 . 1 1 35 35 ARG CA C 32 58.908 58.908 58.602 0.306 17835 6143 1 15 . 1 1 35 35 ARG CB C 32 29.708 29.708 29.500 0.208 17835 6144 1 15 . 1 1 35 35 ARG H H 32 9.321 9.321 8.691 0.630 17835 6145 1 15 . 1 1 36 36 SER N N 33 116.071 116.071 115.489 0.582 17835 6146 1 15 . 1 1 36 36 SER HA H 33 4.048 4.048 4.104 -0.056 17835 6147 1 15 . 1 1 36 36 SER C C 33 175.063 175.063 175.723 -0.660 17835 6148 1 15 . 1 1 36 36 SER CA C 33 61.856 61.856 61.554 0.302 17835 6149 1 15 . 1 1 36 36 SER CB C 33 62.779 62.779 62.774 0.005 17835 6150 1 15 . 1 1 36 36 SER H H 33 8.078 8.078 7.892 0.186 17835 6151 1 15 . 1 1 37 37 LEU N N 34 118.571 118.571 122.142 -3.571 17835 6152 1 15 . 1 1 37 37 LEU HA H 34 4.342 4.342 4.203 0.139 17835 6153 1 15 . 1 1 37 37 LEU C C 34 178.400 178.400 178.185 0.215 17835 6154 1 15 . 1 1 37 37 LEU CA C 34 57.073 57.073 57.069 0.004 17835 6155 1 15 . 1 1 37 37 LEU CB C 34 43.132 43.132 42.336 0.796 17835 6156 1 15 . 1 1 37 37 LEU H H 34 7.167 7.167 7.463 -0.296 17835 6157 1 15 . 1 1 38 38 THR N N 35 106.425 106.425 108.527 -2.102 17835 6158 1 15 . 1 1 38 38 THR HA H 35 4.163 4.163 4.099 0.064 17835 6159 1 15 . 1 1 38 38 THR C C 35 176.259 176.259 175.898 0.361 17835 6160 1 15 . 1 1 38 38 THR CA C 35 62.637 62.637 62.502 0.135 17835 6161 1 15 . 1 1 38 38 THR CB C 35 71.659 71.659 69.626 2.033 17835 6162 1 15 . 1 1 38 38 THR H H 35 8.168 8.168 7.852 0.316 17835 6163 1 15 . 1 1 39 39 GLY N N 36 112.162 112.162 111.344 0.818 17835 6164 1 15 . 1 1 39 39 GLY C C 36 172.464 172.464 172.867 -0.403 17835 6165 1 15 . 1 1 39 39 GLY CA C 36 45.225 45.225 45.078 0.147 17835 6166 1 15 . 1 1 39 39 GLY H H 36 8.759 8.759 7.982 0.777 17835 6167 1 15 . 1 1 40 40 ASP N N 37 121.106 121.106 118.573 2.533 17835 6168 1 15 . 1 1 40 40 ASP HA H 37 4.733 4.733 4.708 0.025 17835 6169 1 15 . 1 1 40 40 ASP C C 37 173.861 173.861 174.094 -0.233 17835 6170 1 15 . 1 1 40 40 ASP CA C 37 52.159 52.159 52.010 0.149 17835 6171 1 15 . 1 1 40 40 ASP CB C 37 44.573 44.573 43.470 1.103 17835 6172 1 15 . 1 1 40 40 ASP H H 37 8.414 8.414 7.432 0.982 17835 6173 1 15 . 1 1 41 41 TRP N N 38 115.206 115.206 120.383 -5.177 17835 6174 1 15 . 1 1 41 41 TRP HA H 38 5.107 5.107 4.893 0.214 17835 6175 1 15 . 1 1 41 41 TRP C C 38 177.125 177.125 177.889 -0.764 17835 6176 1 15 . 1 1 41 41 TRP CA C 38 54.889 54.889 56.447 -1.558 17835 6177 1 15 . 1 1 41 41 TRP CB C 38 31.592 31.592 30.723 0.869 17835 6178 1 15 . 1 1 41 41 TRP H H 38 8.016 8.016 8.388 -0.372 17835 6179 1 15 . 1 1 42 42 ILE N N 39 123.723 123.723 123.714 0.009 17835 6180 1 15 . 1 1 42 42 ILE HA H 39 3.512 3.512 3.755 -0.243 17835 6181 1 15 . 1 1 42 42 ILE C C 39 177.199 177.199 176.262 0.937 17835 6182 1 15 . 1 1 42 42 ILE CA C 39 60.467 60.467 61.419 -0.952 17835 6183 1 15 . 1 1 42 42 ILE CB C 39 38.133 38.133 37.819 0.314 17835 6184 1 15 . 1 1 42 42 ILE H H 39 10.079 10.079 9.185 0.894 17835 6185 1 15 . 1 1 43 43 PRO HA H 40 4.600 4.600 4.699 -0.099 17835 6186 1 15 . 1 1 43 43 PRO C C 40 174.997 174.997 176.769 -1.772 17835 6187 1 15 . 1 1 43 43 PRO CA C 40 62.511 62.511 62.413 0.098 17835 6188 1 15 . 1 1 43 43 PRO CB C 40 27.857 27.857 29.274 -1.417 17835 6189 1 15 . 1 1 44 44 PHE N N 41 118.808 118.808 120.376 -1.568 17835 6190 1 15 . 1 1 44 44 PHE HA H 41 3.737 3.737 4.203 -0.466 17835 6191 1 15 . 1 1 44 44 PHE C C 41 175.891 175.891 176.795 -0.904 17835 6192 1 15 . 1 1 44 44 PHE CA C 41 60.911 60.911 61.766 -0.855 17835 6193 1 15 . 1 1 44 44 PHE CB C 41 38.412 38.412 37.621 0.791 17835 6194 1 15 . 1 1 44 44 PHE H H 41 7.647 7.647 7.919 -0.272 17835 6195 1 15 . 1 1 45 45 LYS N N 42 123.543 123.543 119.997 3.546 17835 6196 1 15 . 1 1 45 45 LYS HA H 42 4.763 4.763 4.084 0.679 17835 6197 1 15 . 1 1 45 45 LYS C C 42 181.828 181.828 178.635 3.193 17835 6198 1 15 . 1 1 45 45 LYS CA C 42 58.959 58.959 58.822 0.137 17835 6199 1 15 . 1 1 45 45 LYS CB C 42 31.599 31.599 31.606 -0.007 17835 6200 1 15 . 1 1 45 45 LYS H H 42 7.387 7.387 7.257 0.130 17835 6201 1 15 . 1 1 46 46 GLN N N 43 123.171 123.171 117.947 5.224 17835 6202 1 15 . 1 1 46 46 GLN HA H 43 3.896 3.896 4.014 -0.118 17835 6203 1 15 . 1 1 46 46 GLN C C 43 178.167 178.167 177.909 0.258 17835 6204 1 15 . 1 1 46 46 GLN CA C 43 59.066 59.066 58.357 0.709 17835 6205 1 15 . 1 1 46 46 GLN CB C 43 27.702 27.702 28.239 -0.537 17835 6206 1 15 . 1 1 46 46 GLN H H 43 8.567 8.567 7.798 0.769 17835 6207 1 15 . 1 1 47 47 LEU N N 44 116.472 116.472 118.497 -2.025 17835 6208 1 15 . 1 1 47 47 LEU HA H 44 4.255 4.255 4.199 0.056 17835 6209 1 15 . 1 1 47 47 LEU C C 44 176.103 176.103 178.090 -1.987 17835 6210 1 15 . 1 1 47 47 LEU CA C 44 55.308 55.308 56.026 -0.719 17835 6211 1 15 . 1 1 47 47 LEU CB C 44 41.374 41.374 42.855 -1.481 17835 6212 1 15 . 1 1 47 47 LEU H H 44 7.544 7.544 8.231 -0.687 17835 6213 1 15 . 1 1 48 48 GLY N N 45 104.932 104.932 103.852 1.080 17835 6214 1 15 . 1 1 48 48 GLY C C 45 173.844 173.844 174.403 -0.559 17835 6215 1 15 . 1 1 48 48 GLY CA C 45 44.826 44.826 44.421 0.405 17835 6216 1 15 . 1 1 48 48 GLY H H 45 7.741 7.741 7.929 -0.188 17835 6217 1 15 . 1 1 49 49 TYR N N 46 119.946 119.946 121.096 -1.150 17835 6218 1 15 . 1 1 49 49 TYR HA H 46 4.839 4.839 4.865 -0.026 17835 6219 1 15 . 1 1 49 49 TYR C C 46 174.575 174.575 174.955 -0.380 17835 6220 1 15 . 1 1 49 49 TYR CA C 46 56.349 56.349 56.016 0.333 17835 6221 1 15 . 1 1 49 49 TYR CB C 46 41.464 41.464 38.448 3.016 17835 6222 1 15 . 1 1 49 49 TYR H H 46 8.332 8.332 7.946 0.386 17835 6223 1 15 . 1 1 50 50 PRO HA H 47 4.556 4.556 4.466 0.090 17835 6224 1 15 . 1 1 50 50 PRO C C 47 177.125 177.125 176.827 0.298 17835 6225 1 15 . 1 1 50 50 PRO CA C 47 64.115 64.115 64.490 -0.375 17835 6226 1 15 . 1 1 50 50 PRO CB C 47 32.152 32.152 32.032 0.120 17835 6227 1 15 . 1 1 51 51 THR N N 48 105.643 105.643 107.134 -1.491 17835 6228 1 15 . 1 1 51 51 THR HA H 48 4.129 4.129 4.399 -0.270 17835 6229 1 15 . 1 1 51 51 THR C C 48 173.270 173.270 174.847 -1.577 17835 6230 1 15 . 1 1 51 51 THR CA C 48 58.738 58.738 59.748 -1.010 17835 6231 1 15 . 1 1 51 51 THR CB C 48 73.254 73.254 71.988 1.266 17835 6232 1 15 . 1 1 51 51 THR H H 48 6.939 6.939 7.489 -0.550 17835 6233 1 15 . 1 1 52 52 LEU N N 49 121.743 121.743 122.902 -1.159 17835 6234 1 15 . 1 1 52 52 LEU HA H 49 3.325 3.325 3.865 -0.540 17835 6235 1 15 . 1 1 52 52 LEU C C 49 178.195 178.195 178.771 -0.576 17835 6236 1 15 . 1 1 52 52 LEU CA C 49 57.551 57.551 57.493 0.058 17835 6237 1 15 . 1 1 52 52 LEU CB C 49 40.517 40.517 40.324 0.193 17835 6238 1 15 . 1 1 52 52 LEU H H 49 7.849 7.849 8.238 -0.389 17835 6239 1 15 . 1 1 53 53 GLU N N 50 118.706 118.706 119.092 -0.386 17835 6240 1 15 . 1 1 53 53 GLU HA H 50 3.411 3.411 3.883 -0.472 17835 6241 1 15 . 1 1 53 53 GLU C C 50 176.853 176.853 178.523 -1.670 17835 6242 1 15 . 1 1 53 53 GLU CA C 50 60.720 60.720 59.403 1.317 17835 6243 1 15 . 1 1 53 53 GLU CB C 50 28.696 28.696 28.741 -0.045 17835 6244 1 15 . 1 1 53 53 GLU H H 50 8.981 8.981 8.729 0.252 17835 6245 1 15 . 1 1 54 54 ALA N N 51 119.673 119.673 122.638 -2.965 17835 6246 1 15 . 1 1 54 54 ALA HA H 51 3.885 3.885 4.020 -0.135 17835 6247 1 15 . 1 1 54 54 ALA C C 51 180.232 180.232 179.392 0.840 17835 6248 1 15 . 1 1 54 54 ALA CA C 51 55.127 55.127 55.058 0.069 17835 6249 1 15 . 1 1 54 54 ALA CB C 51 18.345 18.345 18.468 -0.123 17835 6250 1 15 . 1 1 54 54 ALA H H 51 8.001 8.001 7.937 0.064 17835 6251 1 15 . 1 1 55 55 TYR N N 52 117.474 117.474 120.399 -2.925 17835 6252 1 15 . 1 1 55 55 TYR HA H 52 2.898 2.898 3.252 -0.354 17835 6253 1 15 . 1 1 55 55 TYR C C 52 178.563 178.563 177.621 0.942 17835 6254 1 15 . 1 1 55 55 TYR CA C 52 59.876 59.876 61.242 -1.365 17835 6255 1 15 . 1 1 55 55 TYR CB C 52 37.365 37.365 38.210 -0.845 17835 6256 1 15 . 1 1 55 55 TYR H H 52 7.218 7.218 7.986 -0.768 17835 6257 1 15 . 1 1 56 56 LEU N N 53 121.106 121.106 118.345 2.761 17835 6258 1 15 . 1 1 56 56 LEU HA H 53 3.221 3.221 3.599 -0.378 17835 6259 1 15 . 1 1 56 56 LEU C C 53 179.706 179.706 179.257 0.449 17835 6260 1 15 . 1 1 56 56 LEU CA C 53 57.334 57.334 57.545 -0.211 17835 6261 1 15 . 1 1 56 56 LEU CB C 53 40.788 40.788 41.517 -0.729 17835 6262 1 15 . 1 1 56 56 LEU H H 53 8.440 8.440 8.197 0.243 17835 6263 1 15 . 1 1 57 57 ARG N N 54 116.303 116.303 119.963 -3.660 17835 6264 1 15 . 1 1 57 57 ARG HA H 54 3.722 3.722 4.001 -0.279 17835 6265 1 15 . 1 1 57 57 ARG C C 54 176.071 176.071 177.773 -1.702 17835 6266 1 15 . 1 1 57 57 ARG CA C 54 58.463 58.463 58.646 -0.183 17835 6267 1 15 . 1 1 57 57 ARG CB C 54 29.735 29.735 29.921 -0.186 17835 6268 1 15 . 1 1 57 57 ARG H H 54 7.998 7.998 8.601 -0.603 17835 6269 1 15 . 1 1 58 58 SER N N 55 115.365 115.365 112.673 2.692 17835 6270 1 15 . 1 1 58 58 SER HA H 55 4.357 4.357 4.380 -0.023 17835 6271 1 15 . 1 1 58 58 SER C C 55 173.970 173.970 174.115 -0.145 17835 6272 1 15 . 1 1 58 58 SER CA C 55 59.762 59.762 59.792 -0.030 17835 6273 1 15 . 1 1 58 58 SER CB C 55 63.886 63.886 63.532 0.354 17835 6274 1 15 . 1 1 58 58 SER H H 55 7.491 7.491 7.506 -0.015 17835 6275 1 15 . 1 1 59 59 VAL N N 56 113.059 113.059 120.434 -7.375 17835 6276 1 15 . 1 1 59 59 VAL HA H 56 5.090 5.090 4.472 0.618 17835 6277 1 15 . 1 1 59 59 VAL C C 56 174.276 174.276 173.906 0.370 17835 6278 1 15 . 1 1 59 59 VAL CA C 56 58.444 58.444 58.817 -0.373 17835 6279 1 15 . 1 1 59 59 VAL CB C 56 31.559 31.559 32.941 -1.382 17835 6280 1 15 . 1 1 59 59 VAL H H 56 6.729 6.729 7.059 -0.330 17835 6281 1 15 . 1 1 60 60 PRO HA H 57 4.902 4.902 4.689 0.213 17835 6282 1 15 . 1 1 60 60 PRO C C 57 177.563 177.563 177.172 0.391 17835 6283 1 15 . 1 1 60 60 PRO CA C 57 64.541 64.541 64.631 -0.090 17835 6284 1 15 . 1 1 60 60 PRO CB C 57 31.768 31.768 31.732 0.036 17835 6285 1 15 . 1 1 61 61 ALA N N 58 120.004 120.004 120.015 -0.011 17835 6286 1 15 . 1 1 61 61 ALA HA H 58 4.327 4.327 4.278 0.049 17835 6287 1 15 . 1 1 61 61 ALA C C 58 177.191 177.191 177.835 -0.644 17835 6288 1 15 . 1 1 61 61 ALA CA C 58 52.795 52.795 53.534 -0.739 17835 6289 1 15 . 1 1 61 61 ALA CB C 58 18.427 18.427 19.325 -0.898 17835 6290 1 15 . 1 1 61 61 ALA H H 58 8.397 8.397 8.062 0.335 17835 6291 1 15 . 1 1 62 62 VAL N N 59 116.635 116.635 113.173 3.462 17835 6292 1 15 . 1 1 62 62 VAL HA H 59 4.032 4.032 4.382 -0.350 17835 6293 1 15 . 1 1 62 62 VAL C C 59 174.238 174.238 175.072 -0.834 17835 6294 1 15 . 1 1 62 62 VAL CA C 59 63.741 63.741 62.850 0.891 17835 6295 1 15 . 1 1 62 62 VAL CB C 59 34.115 34.115 34.983 -0.868 17835 6296 1 15 . 1 1 62 62 VAL H H 59 8.080 8.080 7.670 0.410 17835 6297 1 15 . 1 1 63 63 VAL N N 60 117.153 117.153 119.480 -2.327 17835 6298 1 15 . 1 1 63 63 VAL HA H 60 4.911 4.911 4.615 0.296 17835 6299 1 15 . 1 1 63 63 VAL C C 60 172.258 172.258 173.636 -1.378 17835 6300 1 15 . 1 1 63 63 VAL CA C 60 59.006 59.006 61.003 -1.997 17835 6301 1 15 . 1 1 63 63 VAL CB C 60 35.461 35.461 36.346 -0.885 17835 6302 1 15 . 1 1 63 63 VAL H H 60 7.791 7.791 8.200 -0.409 17835 6303 1 15 . 1 1 64 64 ARG N N 61 129.658 129.658 121.625 8.033 17835 6304 1 15 . 1 1 64 64 ARG HA H 61 4.727 4.727 4.696 0.031 17835 6305 1 15 . 1 1 64 64 ARG C C 61 174.437 174.437 173.587 0.850 17835 6306 1 15 . 1 1 64 64 ARG CA C 61 54.117 54.117 55.526 -1.409 17835 6307 1 15 . 1 1 64 64 ARG CB C 61 32.754 32.754 34.206 -1.452 17835 6308 1 15 . 1 1 64 64 ARG H H 61 9.208 9.208 8.971 0.237 17835 6309 1 15 . 1 1 65 65 ILE N N 62 125.775 125.775 117.991 7.784 17835 6310 1 15 . 1 1 65 65 ILE HA H 62 4.917 4.917 5.364 -0.447 17835 6311 1 15 . 1 1 65 65 ILE C C 62 175.842 175.842 174.540 1.302 17835 6312 1 15 . 1 1 65 65 ILE CA C 62 59.545 59.545 59.857 -0.312 17835 6313 1 15 . 1 1 65 65 ILE CB C 62 39.645 39.645 42.426 -2.781 17835 6314 1 15 . 1 1 65 65 ILE H H 62 8.736 8.736 8.307 0.429 17835 6315 1 15 . 1 1 66 66 GLU N N 63 127.114 127.114 122.942 4.172 17835 6316 1 15 . 1 1 66 66 GLU HA H 63 4.677 4.677 4.723 -0.046 17835 6317 1 15 . 1 1 66 66 GLU C C 63 174.409 174.409 175.382 -0.973 17835 6318 1 15 . 1 1 66 66 GLU CA C 63 54.791 54.791 55.268 -0.477 17835 6319 1 15 . 1 1 66 66 GLU CB C 63 33.078 33.078 32.474 0.604 17835 6320 1 15 . 1 1 66 66 GLU H H 63 9.197 9.197 9.073 0.124 17835 6321 1 15 . 1 1 67 67 ALA N N 64 127.913 127.913 130.128 -2.215 17835 6322 1 15 . 1 1 67 67 ALA HA H 64 5.026 5.026 4.645 0.381 17835 6323 1 15 . 1 1 67 67 ALA C C 64 177.717 177.717 177.142 0.575 17835 6324 1 15 . 1 1 67 67 ALA CA C 64 51.070 51.070 51.847 -0.777 17835 6325 1 15 . 1 1 67 67 ALA CB C 64 19.550 19.550 18.839 0.711 17835 6326 1 15 . 1 1 67 67 ALA H H 64 8.779 8.779 8.670 0.109 17835 6327 1 15 . 1 1 68 68 SER N N 65 119.364 119.364 119.893 -0.529 17835 6328 1 15 . 1 1 68 68 SER HA H 65 4.665 4.665 4.596 0.069 17835 6329 1 15 . 1 1 68 68 SER C C 65 176.518 176.518 176.646 -0.128 17835 6330 1 15 . 1 1 68 68 SER CA C 65 57.096 57.096 56.678 0.418 17835 6331 1 15 . 1 1 68 68 SER CB C 65 65.234 65.234 64.169 1.065 17835 6332 1 15 . 1 1 68 68 SER H H 65 8.951 8.951 8.643 0.308 17835 6333 1 15 . 1 1 69 69 ARG N N 66 123.143 123.143 124.865 -1.722 17835 6334 1 15 . 1 1 69 69 ARG HA H 66 4.153 4.153 4.197 -0.044 17835 6335 1 15 . 1 1 69 69 ARG C C 66 177.356 177.356 176.567 0.789 17835 6336 1 15 . 1 1 69 69 ARG CA C 66 58.973 58.973 57.682 1.291 17835 6337 1 15 . 1 1 69 69 ARG CB C 66 29.659 29.659 29.584 0.075 17835 6338 1 15 . 1 1 69 69 ARG H H 66 9.075 9.075 8.893 0.182 17835 6339 1 15 . 1 1 70 70 SER N N 67 112.081 112.081 115.942 -3.861 17835 6340 1 15 . 1 1 70 70 SER HA H 67 4.416 4.416 4.372 0.044 17835 6341 1 15 . 1 1 70 70 SER C C 67 175.146 175.146 175.501 -0.355 17835 6342 1 15 . 1 1 70 70 SER CA C 67 58.413 58.413 58.318 0.095 17835 6343 1 15 . 1 1 70 70 SER CB C 67 63.477 63.477 63.506 -0.029 17835 6344 1 15 . 1 1 70 70 SER H H 67 8.083 8.083 7.821 0.262 17835 6345 1 15 . 1 1 71 71 GLY N N 68 110.519 110.519 109.505 1.014 17835 6346 1 15 . 1 1 71 71 GLY C C 68 174.116 174.116 173.552 0.564 17835 6347 1 15 . 1 1 71 71 GLY CA C 68 45.114 45.114 45.273 -0.159 17835 6348 1 15 . 1 1 71 71 GLY H H 68 7.974 7.974 7.858 0.116 17835 6349 1 15 . 1 1 72 72 GLU N N 69 120.663 120.663 119.067 1.596 17835 6350 1 15 . 1 1 72 72 GLU HA H 69 4.289 4.289 4.688 -0.399 17835 6351 1 15 . 1 1 72 72 GLU C C 69 175.352 175.352 174.354 0.998 17835 6352 1 15 . 1 1 72 72 GLU CA C 69 56.082 56.082 54.400 1.682 17835 6353 1 15 . 1 1 72 72 GLU CB C 69 30.517 30.517 32.925 -2.408 17835 6354 1 15 . 1 1 72 72 GLU H H 69 7.630 7.630 7.579 0.051 17835 6355 1 15 . 1 1 73 73 ILE N N 70 125.775 125.775 121.978 3.797 17835 6356 1 15 . 1 1 73 73 ILE HA H 70 4.367 4.367 4.919 -0.552 17835 6357 1 15 . 1 1 73 73 ILE C C 70 174.613 174.613 173.648 0.965 17835 6358 1 15 . 1 1 73 73 ILE CA C 70 60.876 60.876 59.500 1.376 17835 6359 1 15 . 1 1 73 73 ILE CB C 70 37.465 37.465 41.311 -3.846 17835 6360 1 15 . 1 1 73 73 ILE H H 70 8.753 8.753 8.449 0.304 17835 6361 1 15 . 1 1 74 74 VAL N N 71 128.300 128.300 127.855 0.445 17835 6362 1 15 . 1 1 74 74 VAL HA H 71 4.153 4.153 4.301 -0.148 17835 6363 1 15 . 1 1 74 74 VAL C C 71 173.544 173.544 174.600 -1.056 17835 6364 1 15 . 1 1 74 74 VAL CA C 71 61.736 61.736 60.763 0.973 17835 6365 1 15 . 1 1 74 74 VAL CB C 71 33.763 33.763 33.540 0.223 17835 6366 1 15 . 1 1 74 74 VAL H H 71 8.724 8.724 8.762 -0.038 17835 6367 1 15 . 1 1 75 75 CYS N N 72 122.823 122.823 124.976 -2.153 17835 6368 1 15 . 1 1 75 75 CYS HA H 72 4.948 4.948 4.986 -0.038 17835 6369 1 15 . 1 1 75 75 CYS C C 72 173.200 173.200 173.779 -0.579 17835 6370 1 15 . 1 1 75 75 CYS CA C 72 57.176 57.176 57.923 -0.747 17835 6371 1 15 . 1 1 75 75 CYS CB C 72 29.712 29.712 29.444 0.268 17835 6372 1 15 . 1 1 75 75 CYS H H 72 8.200 8.200 8.688 -0.488 17835 6373 1 15 . 1 1 76 76 TYR N N 73 119.584 119.584 119.106 0.478 17835 6374 1 15 . 1 1 76 76 TYR HA H 73 5.013 5.013 4.768 0.245 17835 6375 1 15 . 1 1 76 76 TYR C C 73 175.779 175.779 174.863 0.916 17835 6376 1 15 . 1 1 76 76 TYR CA C 73 56.289 56.289 57.087 -0.798 17835 6377 1 15 . 1 1 76 76 TYR CB C 73 42.505 42.505 43.089 -0.584 17835 6378 1 15 . 1 1 76 76 TYR H H 73 9.265 9.265 9.277 -0.012 17835 6379 1 15 . 1 1 77 77 ALA N N 74 122.844 122.844 121.930 0.914 17835 6380 1 15 . 1 1 77 77 ALA HA H 74 4.423 4.423 4.593 -0.170 17835 6381 1 15 . 1 1 77 77 ALA C C 74 177.907 177.907 175.709 2.198 17835 6382 1 15 . 1 1 77 77 ALA CA C 74 52.151 52.151 51.410 0.741 17835 6383 1 15 . 1 1 77 77 ALA CB C 74 18.915 18.915 20.648 -1.732 17835 6384 1 15 . 1 1 77 77 ALA H H 74 9.145 9.145 8.944 0.201 17835 6385 1 15 . 1 1 78 78 VAL N N 75 123.434 123.434 117.145 6.289 17835 6386 1 15 . 1 1 78 78 VAL HA H 75 3.826 3.826 4.354 -0.528 17835 6387 1 15 . 1 1 78 78 VAL C C 75 174.995 174.995 174.707 0.288 17835 6388 1 15 . 1 1 78 78 VAL CA C 75 63.379 63.379 62.067 1.312 17835 6389 1 15 . 1 1 78 78 VAL CB C 75 32.715 32.715 35.144 -2.429 17835 6390 1 15 . 1 1 78 78 VAL H H 75 7.894 7.894 8.643 -0.749 17835 6391 1 16 . 1 1 5 5 LEU N N 2 124.907 124.907 122.586 2.321 17835 6392 1 16 . 1 1 5 5 LEU HA H 2 4.299 4.299 4.432 -0.133 17835 6393 1 16 . 1 1 5 5 LEU C C 2 177.892 177.892 178.213 -0.321 17835 6394 1 16 . 1 1 5 5 LEU CA C 2 55.749 55.749 54.486 1.263 17835 6395 1 16 . 1 1 5 5 LEU CB C 2 42.001 42.001 42.317 -0.316 17835 6396 1 16 . 1 1 5 5 LEU H H 2 8.636 8.636 8.397 0.239 17835 6397 1 16 . 1 1 6 6 GLU N N 3 122.649 122.649 122.724 -0.075 17835 6398 1 16 . 1 1 6 6 GLU HA H 3 4.172 4.172 3.958 0.214 17835 6399 1 16 . 1 1 6 6 GLU C C 3 177.481 177.481 178.434 -0.953 17835 6400 1 16 . 1 1 6 6 GLU CA C 3 58.106 58.106 60.161 -2.055 17835 6401 1 16 . 1 1 6 6 GLU CB C 3 28.874 28.874 29.863 -0.989 17835 6402 1 16 . 1 1 6 6 GLU H H 3 8.594 8.594 9.021 -0.427 17835 6403 1 16 . 1 1 7 7 ALA N N 4 121.929 121.929 121.204 0.725 17835 6404 1 16 . 1 1 7 7 ALA HA H 4 3.944 3.944 4.183 -0.239 17835 6405 1 16 . 1 1 7 7 ALA C C 4 180.419 180.419 179.313 1.106 17835 6406 1 16 . 1 1 7 7 ALA CA C 4 55.686 55.686 55.027 0.659 17835 6407 1 16 . 1 1 7 7 ALA CB C 4 18.587 18.587 18.007 0.580 17835 6408 1 16 . 1 1 7 7 ALA H H 4 8.744 8.744 8.400 0.344 17835 6409 1 16 . 1 1 8 8 ASP N N 5 117.514 117.514 119.570 -2.056 17835 6410 1 16 . 1 1 8 8 ASP HA H 5 4.482 4.482 4.506 -0.024 17835 6411 1 16 . 1 1 8 8 ASP C C 5 178.010 178.010 178.172 -0.162 17835 6412 1 16 . 1 1 8 8 ASP CA C 5 56.603 56.603 56.832 -0.229 17835 6413 1 16 . 1 1 8 8 ASP CB C 5 40.353 40.353 40.713 -0.360 17835 6414 1 16 . 1 1 8 8 ASP H H 5 8.071 8.071 8.254 -0.183 17835 6415 1 16 . 1 1 9 9 LEU N N 6 122.640 122.640 121.392 1.248 17835 6416 1 16 . 1 1 9 9 LEU HA H 6 4.165 4.165 4.024 0.141 17835 6417 1 16 . 1 1 9 9 LEU C C 6 178.699 178.699 178.638 0.061 17835 6418 1 16 . 1 1 9 9 LEU CA C 6 57.986 57.986 58.216 -0.230 17835 6419 1 16 . 1 1 9 9 LEU CB C 6 41.675 41.675 42.103 -0.428 17835 6420 1 16 . 1 1 9 9 LEU H H 6 7.713 7.713 8.276 -0.563 17835 6421 1 16 . 1 1 10 10 VAL N N 7 119.303 119.303 115.574 3.729 17835 6422 1 16 . 1 1 10 10 VAL HA H 7 4.025 4.025 3.786 0.239 17835 6423 1 16 . 1 1 10 10 VAL C C 7 178.570 178.570 177.726 0.844 17835 6424 1 16 . 1 1 10 10 VAL CA C 7 65.683 65.683 66.360 -0.677 17835 6425 1 16 . 1 1 10 10 VAL CB C 7 31.841 31.841 30.544 1.297 17835 6426 1 16 . 1 1 10 10 VAL H H 7 8.115 8.115 8.311 -0.196 17835 6427 1 16 . 1 1 11 11 SER N N 8 113.146 113.146 118.488 -5.342 17835 6428 1 16 . 1 1 11 11 SER HA H 8 4.042 4.042 4.306 -0.264 17835 6429 1 16 . 1 1 11 11 SER C C 8 176.364 176.364 176.845 -0.481 17835 6430 1 16 . 1 1 11 11 SER CA C 8 62.600 62.600 62.644 -0.044 17835 6431 1 16 . 1 1 11 11 SER CB C 8 61.596 61.596 63.127 -1.530 17835 6432 1 16 . 1 1 11 11 SER H H 8 7.796 7.796 8.027 -0.231 17835 6433 1 16 . 1 1 12 12 LYS N N 9 121.690 121.690 122.451 -0.761 17835 6434 1 16 . 1 1 12 12 LYS HA H 9 4.044 4.044 4.034 0.010 17835 6435 1 16 . 1 1 12 12 LYS C C 9 180.048 180.048 178.846 1.202 17835 6436 1 16 . 1 1 12 12 LYS CA C 9 60.002 60.002 59.804 0.198 17835 6437 1 16 . 1 1 12 12 LYS CB C 9 32.839 32.839 32.441 0.399 17835 6438 1 16 . 1 1 12 12 LYS H H 9 7.754 7.754 8.236 -0.482 17835 6439 1 16 . 1 1 13 13 MET N N 10 119.794 119.794 118.966 0.828 17835 6440 1 16 . 1 1 13 13 MET HA H 10 4.420 4.420 4.123 0.297 17835 6441 1 16 . 1 1 13 13 MET C C 10 178.151 178.151 178.302 -0.151 17835 6442 1 16 . 1 1 13 13 MET CA C 10 57.095 57.095 59.133 -2.038 17835 6443 1 16 . 1 1 13 13 MET CB C 10 31.599 31.599 32.679 -1.080 17835 6444 1 16 . 1 1 13 13 MET H H 10 8.451 8.451 8.356 0.095 17835 6445 1 16 . 1 1 14 14 LEU N N 11 122.035 122.035 122.196 -0.161 17835 6446 1 16 . 1 1 14 14 LEU HA H 11 4.207 4.207 4.120 0.087 17835 6447 1 16 . 1 1 14 14 LEU C C 11 178.526 178.526 178.006 0.520 17835 6448 1 16 . 1 1 14 14 LEU CA C 11 58.178 58.178 59.149 -0.971 17835 6449 1 16 . 1 1 14 14 LEU CB C 11 42.148 42.148 41.802 0.346 17835 6450 1 16 . 1 1 14 14 LEU H H 11 9.301 9.301 8.762 0.539 17835 6451 1 16 . 1 1 15 15 ARG N N 12 118.150 118.150 119.333 -1.183 17835 6452 1 16 . 1 1 15 15 ARG HA H 12 3.839 3.839 3.877 -0.037 17835 6453 1 16 . 1 1 15 15 ARG C C 12 177.951 177.951 178.390 -0.439 17835 6454 1 16 . 1 1 15 15 ARG CA C 12 60.500 60.500 59.241 1.259 17835 6455 1 16 . 1 1 15 15 ARG CB C 12 29.966 29.966 29.786 0.180 17835 6456 1 16 . 1 1 15 15 ARG H H 12 8.248 8.248 8.496 -0.248 17835 6457 1 16 . 1 1 16 16 ALA N N 13 120.291 120.291 121.728 -1.437 17835 6458 1 16 . 1 1 16 16 ALA HA H 13 4.150 4.150 4.095 0.055 17835 6459 1 16 . 1 1 16 16 ALA C C 13 181.072 181.072 179.742 1.330 17835 6460 1 16 . 1 1 16 16 ALA CA C 13 55.371 55.371 54.915 0.456 17835 6461 1 16 . 1 1 16 16 ALA CB C 13 17.845 17.845 18.461 -0.616 17835 6462 1 16 . 1 1 16 16 ALA H H 13 7.587 7.587 8.124 -0.537 17835 6463 1 16 . 1 1 17 17 VAL N N 14 119.183 119.183 119.093 0.090 17835 6464 1 16 . 1 1 17 17 VAL HA H 14 3.858 3.858 3.264 0.594 17835 6465 1 16 . 1 1 17 17 VAL C C 14 178.531 178.531 177.897 0.634 17835 6466 1 16 . 1 1 17 17 VAL CA C 14 65.552 65.552 66.837 -1.285 17835 6467 1 16 . 1 1 17 17 VAL CB C 14 32.190 32.190 31.593 0.597 17835 6468 1 16 . 1 1 17 17 VAL H H 14 8.324 8.324 8.087 0.237 17835 6469 1 16 . 1 1 18 18 LEU N N 15 120.498 120.498 118.657 1.841 17835 6470 1 16 . 1 1 18 18 LEU HA H 15 3.985 3.985 3.942 0.043 17835 6471 1 16 . 1 1 18 18 LEU C C 15 179.935 179.935 178.938 0.997 17835 6472 1 16 . 1 1 18 18 LEU CA C 15 58.474 58.474 57.766 0.708 17835 6473 1 16 . 1 1 18 18 LEU CB C 15 41.885 41.885 41.491 0.394 17835 6474 1 16 . 1 1 18 18 LEU H H 15 8.388 8.388 8.016 0.372 17835 6475 1 16 . 1 1 19 19 GLN N N 16 117.835 117.835 117.270 0.565 17835 6476 1 16 . 1 1 19 19 GLN HA H 16 3.981 3.981 4.079 -0.098 17835 6477 1 16 . 1 1 19 19 GLN C C 16 177.304 177.304 178.599 -1.295 17835 6478 1 16 . 1 1 19 19 GLN CA C 16 58.668 58.668 58.270 0.398 17835 6479 1 16 . 1 1 19 19 GLN CB C 16 28.274 28.274 28.795 -0.521 17835 6480 1 16 . 1 1 19 19 GLN H H 16 8.689 8.689 8.136 0.553 17835 6481 1 16 . 1 1 20 20 SER N N 17 111.043 111.043 115.253 -4.210 17835 6482 1 16 . 1 1 20 20 SER HA H 17 4.386 4.386 4.371 0.015 17835 6483 1 16 . 1 1 20 20 SER C C 17 173.630 173.630 176.038 -2.408 17835 6484 1 16 . 1 1 20 20 SER CA C 17 59.252 59.252 60.783 -1.532 17835 6485 1 16 . 1 1 20 20 SER CB C 17 63.600 63.600 63.795 -0.195 17835 6486 1 16 . 1 1 20 20 SER H H 17 7.461 7.461 7.931 -0.470 17835 6487 1 16 . 1 1 21 21 HIS N N 18 121.324 121.324 120.219 1.105 17835 6488 1 16 . 1 1 21 21 HIS HA H 18 4.824 4.824 4.853 -0.029 17835 6489 1 16 . 1 1 21 21 HIS C C 18 174.835 174.835 175.047 -0.212 17835 6490 1 16 . 1 1 21 21 HIS CA C 18 54.386 54.386 52.604 1.782 17835 6491 1 16 . 1 1 21 21 HIS CB C 18 28.657 28.657 27.653 1.004 17835 6492 1 16 . 1 1 21 21 HIS H H 18 7.692 7.692 8.199 -0.507 17835 6493 1 16 . 1 1 22 22 LYS N N 19 123.925 123.925 121.551 2.374 17835 6494 1 16 . 1 1 22 22 LYS HA H 19 4.161 4.161 4.207 -0.046 17835 6495 1 16 . 1 1 22 22 LYS C C 19 177.562 177.562 177.952 -0.390 17835 6496 1 16 . 1 1 22 22 LYS CA C 19 59.316 59.316 58.393 0.923 17835 6497 1 16 . 1 1 22 22 LYS CB C 19 32.202 32.202 31.879 0.323 17835 6498 1 16 . 1 1 22 22 LYS H H 19 8.809 8.809 7.780 1.029 17835 6499 1 16 . 1 1 23 23 ASN N N 20 115.473 115.473 116.671 -1.198 17835 6500 1 16 . 1 1 23 23 ASN HA H 20 5.073 5.073 4.712 0.361 17835 6501 1 16 . 1 1 23 23 ASN C C 20 174.783 174.783 175.824 -1.041 17835 6502 1 16 . 1 1 23 23 ASN CA C 20 52.835 52.835 53.410 -0.575 17835 6503 1 16 . 1 1 23 23 ASN CB C 20 38.540 38.540 39.040 -0.500 17835 6504 1 16 . 1 1 23 23 ASN H H 20 8.784 8.784 8.200 0.584 17835 6505 1 16 . 1 1 24 24 GLY N N 21 107.402 107.402 108.473 -1.071 17835 6506 1 16 . 1 1 24 24 GLY C C 21 172.572 172.572 172.826 -0.254 17835 6507 1 16 . 1 1 24 24 GLY CA C 21 44.739 44.739 44.469 0.270 17835 6508 1 16 . 1 1 24 24 GLY H H 21 7.743 7.743 7.907 -0.164 17835 6509 1 16 . 1 1 25 25 ILE N N 22 117.796 117.796 115.581 2.215 17835 6510 1 16 . 1 1 25 25 ILE HA H 22 4.272 4.272 4.671 -0.399 17835 6511 1 16 . 1 1 25 25 ILE C C 22 175.452 175.452 175.155 0.297 17835 6512 1 16 . 1 1 25 25 ILE CA C 22 59.468 59.468 59.210 0.258 17835 6513 1 16 . 1 1 25 25 ILE CB C 22 41.833 41.833 40.481 1.352 17835 6514 1 16 . 1 1 25 25 ILE H H 22 8.509 8.509 7.927 0.582 17835 6515 1 16 . 1 1 26 26 VAL N N 23 124.597 124.597 121.700 2.897 17835 6516 1 16 . 1 1 26 26 VAL HA H 23 4.585 4.585 4.521 0.064 17835 6517 1 16 . 1 1 26 26 VAL C C 23 177.566 177.566 177.669 -0.103 17835 6518 1 16 . 1 1 26 26 VAL CA C 23 62.227 62.227 62.284 -0.057 17835 6519 1 16 . 1 1 26 26 VAL CB C 23 31.945 31.945 32.243 -0.298 17835 6520 1 16 . 1 1 26 26 VAL H H 23 8.524 8.524 8.344 0.180 17835 6521 1 16 . 1 1 27 27 LEU N N 24 124.858 124.858 122.162 2.696 17835 6522 1 16 . 1 1 27 27 LEU HA H 24 4.011 4.011 4.346 -0.335 17835 6523 1 16 . 1 1 27 27 LEU C C 24 175.569 175.569 176.526 -0.957 17835 6524 1 16 . 1 1 27 27 LEU CA C 24 60.394 60.394 58.904 1.490 17835 6525 1 16 . 1 1 27 27 LEU CB C 24 39.402 39.402 38.870 0.532 17835 6526 1 16 . 1 1 27 27 LEU H H 24 8.816 8.816 8.400 0.416 17835 6527 1 16 . 1 1 28 28 PRO HA H 25 4.401 4.401 4.241 0.160 17835 6528 1 16 . 1 1 28 28 PRO C C 25 177.600 177.600 179.238 -1.638 17835 6529 1 16 . 1 1 28 28 PRO CA C 25 65.549 65.549 65.857 -0.308 17835 6530 1 16 . 1 1 28 28 PRO CB C 25 31.458 31.458 30.830 0.628 17835 6531 1 16 . 1 1 29 29 ARG N N 26 115.136 115.136 119.558 -4.422 17835 6532 1 16 . 1 1 29 29 ARG HA H 26 4.511 4.511 4.195 0.316 17835 6533 1 16 . 1 1 29 29 ARG C C 26 177.152 177.152 178.465 -1.313 17835 6534 1 16 . 1 1 29 29 ARG CA C 26 55.853 55.853 59.054 -3.201 17835 6535 1 16 . 1 1 29 29 ARG CB C 26 30.981 30.981 30.142 0.839 17835 6536 1 16 . 1 1 29 29 ARG H H 26 7.869 7.869 7.719 0.150 17835 6537 1 16 . 1 1 30 30 LEU N N 27 122.984 122.984 121.982 1.002 17835 6538 1 16 . 1 1 30 30 LEU HA H 27 3.842 3.842 3.965 -0.123 17835 6539 1 16 . 1 1 30 30 LEU C C 27 177.872 177.872 178.528 -0.656 17835 6540 1 16 . 1 1 30 30 LEU CA C 27 59.458 59.458 58.634 0.824 17835 6541 1 16 . 1 1 30 30 LEU CB C 27 42.326 42.326 41.296 1.030 17835 6542 1 16 . 1 1 30 30 LEU H H 27 7.870 7.870 8.642 -0.772 17835 6543 1 16 . 1 1 31 31 GLN N N 28 117.382 117.382 117.611 -0.229 17835 6544 1 16 . 1 1 31 31 GLN HA H 28 4.689 4.689 4.048 0.641 17835 6545 1 16 . 1 1 31 31 GLN C C 28 178.888 178.888 179.107 -0.219 17835 6546 1 16 . 1 1 31 31 GLN CA C 28 60.243 60.243 59.752 0.491 17835 6547 1 16 . 1 1 31 31 GLN CB C 28 27.811 27.811 28.372 -0.561 17835 6548 1 16 . 1 1 31 31 GLN H H 28 9.217 9.217 8.080 1.137 17835 6549 1 16 . 1 1 32 32 GLY N N 29 105.066 105.066 107.785 -2.719 17835 6550 1 16 . 1 1 32 32 GLY C C 29 177.579 177.579 176.572 1.007 17835 6551 1 16 . 1 1 32 32 GLY CA C 29 47.254 47.254 47.284 -0.030 17835 6552 1 16 . 1 1 32 32 GLY H H 29 8.680 8.680 8.198 0.482 17835 6553 1 16 . 1 1 33 33 GLU N N 30 121.593 121.593 122.811 -1.218 17835 6554 1 16 . 1 1 33 33 GLU HA H 30 4.274 4.274 4.170 0.104 17835 6555 1 16 . 1 1 33 33 GLU C C 30 179.316 179.316 178.861 0.455 17835 6556 1 16 . 1 1 33 33 GLU CA C 30 59.068 59.068 59.019 0.049 17835 6557 1 16 . 1 1 33 33 GLU CB C 30 29.077 29.077 29.531 -0.454 17835 6558 1 16 . 1 1 33 33 GLU H H 30 8.063 8.063 8.359 -0.296 17835 6559 1 16 . 1 1 34 34 TYR N N 31 123.143 123.143 122.232 0.911 17835 6560 1 16 . 1 1 34 34 TYR HA H 31 4.083 4.083 4.051 0.032 17835 6561 1 16 . 1 1 34 34 TYR C C 31 178.379 178.379 177.272 1.107 17835 6562 1 16 . 1 1 34 34 TYR CA C 31 62.406 62.406 61.646 0.760 17835 6563 1 16 . 1 1 34 34 TYR CB C 31 39.405 39.405 38.493 0.912 17835 6564 1 16 . 1 1 34 34 TYR H H 31 9.063 9.063 8.876 0.187 17835 6565 1 16 . 1 1 35 35 ARG N N 32 123.458 123.458 119.352 4.106 17835 6566 1 16 . 1 1 35 35 ARG HA H 32 4.281 4.281 3.890 0.391 17835 6567 1 16 . 1 1 35 35 ARG C C 32 180.186 180.186 179.008 1.178 17835 6568 1 16 . 1 1 35 35 ARG CA C 32 58.908 58.908 58.647 0.262 17835 6569 1 16 . 1 1 35 35 ARG CB C 32 29.708 29.708 29.283 0.425 17835 6570 1 16 . 1 1 35 35 ARG H H 32 9.321 9.321 8.591 0.730 17835 6571 1 16 . 1 1 36 36 SER N N 33 116.071 116.071 115.750 0.321 17835 6572 1 16 . 1 1 36 36 SER HA H 33 4.048 4.048 4.101 -0.053 17835 6573 1 16 . 1 1 36 36 SER C C 33 175.063 175.063 175.696 -0.633 17835 6574 1 16 . 1 1 36 36 SER CA C 33 61.856 61.856 60.998 0.858 17835 6575 1 16 . 1 1 36 36 SER CB C 33 62.779 62.779 63.000 -0.221 17835 6576 1 16 . 1 1 36 36 SER H H 33 8.078 8.078 7.868 0.210 17835 6577 1 16 . 1 1 37 37 LEU N N 34 118.571 118.571 122.164 -3.593 17835 6578 1 16 . 1 1 37 37 LEU HA H 34 4.342 4.342 4.190 0.152 17835 6579 1 16 . 1 1 37 37 LEU C C 34 178.400 178.400 178.167 0.233 17835 6580 1 16 . 1 1 37 37 LEU CA C 34 57.073 57.073 57.165 -0.092 17835 6581 1 16 . 1 1 37 37 LEU CB C 34 43.132 43.132 42.345 0.787 17835 6582 1 16 . 1 1 37 37 LEU H H 34 7.167 7.167 7.540 -0.373 17835 6583 1 16 . 1 1 38 38 THR N N 35 106.425 106.425 109.455 -3.030 17835 6584 1 16 . 1 1 38 38 THR HA H 35 4.163 4.163 4.162 0.001 17835 6585 1 16 . 1 1 38 38 THR C C 35 176.259 176.259 175.740 0.519 17835 6586 1 16 . 1 1 38 38 THR CA C 35 62.637 62.637 62.391 0.246 17835 6587 1 16 . 1 1 38 38 THR CB C 35 71.659 71.659 69.189 2.470 17835 6588 1 16 . 1 1 38 38 THR H H 35 8.168 8.168 7.814 0.354 17835 6589 1 16 . 1 1 39 39 GLY N N 36 112.162 112.162 109.568 2.594 17835 6590 1 16 . 1 1 39 39 GLY C C 36 172.464 172.464 173.215 -0.751 17835 6591 1 16 . 1 1 39 39 GLY CA C 36 45.225 45.225 45.027 0.198 17835 6592 1 16 . 1 1 39 39 GLY H H 36 8.759 8.759 7.671 1.088 17835 6593 1 16 . 1 1 40 40 ASP N N 37 121.106 121.106 118.925 2.181 17835 6594 1 16 . 1 1 40 40 ASP HA H 37 4.733 4.733 4.712 0.021 17835 6595 1 16 . 1 1 40 40 ASP C C 37 173.861 173.861 173.971 -0.110 17835 6596 1 16 . 1 1 40 40 ASP CA C 37 52.159 52.159 52.170 -0.012 17835 6597 1 16 . 1 1 40 40 ASP CB C 37 44.573 44.573 42.995 1.578 17835 6598 1 16 . 1 1 40 40 ASP H H 37 8.414 8.414 7.457 0.957 17835 6599 1 16 . 1 1 41 41 TRP N N 38 115.206 115.206 119.847 -4.641 17835 6600 1 16 . 1 1 41 41 TRP HA H 38 5.107 5.107 4.936 0.171 17835 6601 1 16 . 1 1 41 41 TRP C C 38 177.125 177.125 177.712 -0.587 17835 6602 1 16 . 1 1 41 41 TRP CA C 38 54.889 54.889 56.354 -1.465 17835 6603 1 16 . 1 1 41 41 TRP CB C 38 31.592 31.592 30.827 0.765 17835 6604 1 16 . 1 1 41 41 TRP H H 38 8.016 8.016 8.253 -0.237 17835 6605 1 16 . 1 1 42 42 ILE N N 39 123.723 123.723 122.772 0.951 17835 6606 1 16 . 1 1 42 42 ILE HA H 39 3.512 3.512 3.619 -0.107 17835 6607 1 16 . 1 1 42 42 ILE C C 39 177.199 177.199 175.599 1.600 17835 6608 1 16 . 1 1 42 42 ILE CA C 39 60.467 60.467 60.208 0.259 17835 6609 1 16 . 1 1 42 42 ILE CB C 39 38.133 38.133 36.844 1.289 17835 6610 1 16 . 1 1 42 42 ILE H H 39 10.079 10.079 9.349 0.730 17835 6611 1 16 . 1 1 43 43 PRO HA H 40 4.600 4.600 4.776 -0.176 17835 6612 1 16 . 1 1 43 43 PRO C C 40 174.997 174.997 176.858 -1.861 17835 6613 1 16 . 1 1 43 43 PRO CA C 40 62.511 62.511 62.336 0.175 17835 6614 1 16 . 1 1 43 43 PRO CB C 40 27.857 27.857 29.490 -1.633 17835 6615 1 16 . 1 1 44 44 PHE N N 41 118.808 118.808 120.158 -1.350 17835 6616 1 16 . 1 1 44 44 PHE HA H 41 3.737 3.737 4.212 -0.475 17835 6617 1 16 . 1 1 44 44 PHE C C 41 175.891 175.891 176.739 -0.848 17835 6618 1 16 . 1 1 44 44 PHE CA C 41 60.911 60.911 61.878 -0.967 17835 6619 1 16 . 1 1 44 44 PHE CB C 41 38.412 38.412 37.623 0.789 17835 6620 1 16 . 1 1 44 44 PHE H H 41 7.647 7.647 7.945 -0.298 17835 6621 1 16 . 1 1 45 45 LYS N N 42 123.543 123.543 119.833 3.710 17835 6622 1 16 . 1 1 45 45 LYS HA H 42 4.763 4.763 4.099 0.664 17835 6623 1 16 . 1 1 45 45 LYS C C 42 181.828 181.828 178.684 3.144 17835 6624 1 16 . 1 1 45 45 LYS CA C 42 58.959 58.959 58.557 0.402 17835 6625 1 16 . 1 1 45 45 LYS CB C 42 31.599 31.599 31.558 0.041 17835 6626 1 16 . 1 1 45 45 LYS H H 42 7.387 7.387 7.247 0.140 17835 6627 1 16 . 1 1 46 46 GLN N N 43 123.171 123.171 118.334 4.837 17835 6628 1 16 . 1 1 46 46 GLN HA H 43 3.896 3.896 4.005 -0.109 17835 6629 1 16 . 1 1 46 46 GLN C C 43 178.167 178.167 177.943 0.224 17835 6630 1 16 . 1 1 46 46 GLN CA C 43 59.066 59.066 58.428 0.638 17835 6631 1 16 . 1 1 46 46 GLN CB C 43 27.702 27.702 28.262 -0.560 17835 6632 1 16 . 1 1 46 46 GLN H H 43 8.567 8.567 7.891 0.676 17835 6633 1 16 . 1 1 47 47 LEU N N 44 116.472 116.472 118.246 -1.774 17835 6634 1 16 . 1 1 47 47 LEU HA H 44 4.255 4.255 4.238 0.017 17835 6635 1 16 . 1 1 47 47 LEU C C 44 176.103 176.103 178.034 -1.931 17835 6636 1 16 . 1 1 47 47 LEU CA C 44 55.308 55.308 55.867 -0.559 17835 6637 1 16 . 1 1 47 47 LEU CB C 44 41.374 41.374 42.911 -1.537 17835 6638 1 16 . 1 1 47 47 LEU H H 44 7.544 7.544 8.233 -0.689 17835 6639 1 16 . 1 1 48 48 GLY N N 45 104.932 104.932 103.998 0.934 17835 6640 1 16 . 1 1 48 48 GLY C C 45 173.844 173.844 174.399 -0.555 17835 6641 1 16 . 1 1 48 48 GLY CA C 45 44.826 44.826 44.425 0.401 17835 6642 1 16 . 1 1 48 48 GLY H H 45 7.741 7.741 7.884 -0.143 17835 6643 1 16 . 1 1 49 49 TYR N N 46 119.946 119.946 121.049 -1.103 17835 6644 1 16 . 1 1 49 49 TYR HA H 46 4.839 4.839 4.857 -0.018 17835 6645 1 16 . 1 1 49 49 TYR C C 46 174.575 174.575 174.950 -0.375 17835 6646 1 16 . 1 1 49 49 TYR CA C 46 56.349 56.349 56.151 0.198 17835 6647 1 16 . 1 1 49 49 TYR CB C 46 41.464 41.464 38.465 2.999 17835 6648 1 16 . 1 1 49 49 TYR H H 46 8.332 8.332 8.020 0.312 17835 6649 1 16 . 1 1 50 50 PRO HA H 47 4.556 4.556 4.465 0.091 17835 6650 1 16 . 1 1 50 50 PRO C C 47 177.125 177.125 176.831 0.294 17835 6651 1 16 . 1 1 50 50 PRO CA C 47 64.115 64.115 64.568 -0.453 17835 6652 1 16 . 1 1 50 50 PRO CB C 47 32.152 32.152 32.047 0.105 17835 6653 1 16 . 1 1 51 51 THR N N 48 105.643 105.643 107.072 -1.429 17835 6654 1 16 . 1 1 51 51 THR HA H 48 4.129 4.129 4.421 -0.292 17835 6655 1 16 . 1 1 51 51 THR C C 48 173.270 173.270 174.875 -1.605 17835 6656 1 16 . 1 1 51 51 THR CA C 48 58.738 58.738 59.747 -1.009 17835 6657 1 16 . 1 1 51 51 THR CB C 48 73.254 73.254 72.089 1.165 17835 6658 1 16 . 1 1 51 51 THR H H 48 6.939 6.939 7.519 -0.580 17835 6659 1 16 . 1 1 52 52 LEU N N 49 121.743 121.743 122.869 -1.126 17835 6660 1 16 . 1 1 52 52 LEU HA H 49 3.325 3.325 3.820 -0.495 17835 6661 1 16 . 1 1 52 52 LEU C C 49 178.195 178.195 178.808 -0.613 17835 6662 1 16 . 1 1 52 52 LEU CA C 49 57.551 57.551 57.595 -0.044 17835 6663 1 16 . 1 1 52 52 LEU CB C 49 40.517 40.517 40.309 0.208 17835 6664 1 16 . 1 1 52 52 LEU H H 49 7.849 7.849 8.234 -0.385 17835 6665 1 16 . 1 1 53 53 GLU N N 50 118.706 118.706 118.912 -0.206 17835 6666 1 16 . 1 1 53 53 GLU HA H 50 3.411 3.411 3.882 -0.471 17835 6667 1 16 . 1 1 53 53 GLU C C 50 176.853 176.853 178.509 -1.656 17835 6668 1 16 . 1 1 53 53 GLU CA C 50 60.720 60.720 59.386 1.334 17835 6669 1 16 . 1 1 53 53 GLU CB C 50 28.696 28.696 28.755 -0.059 17835 6670 1 16 . 1 1 53 53 GLU H H 50 8.981 8.981 8.732 0.249 17835 6671 1 16 . 1 1 54 54 ALA N N 51 119.673 119.673 122.665 -2.992 17835 6672 1 16 . 1 1 54 54 ALA HA H 51 3.885 3.885 4.022 -0.137 17835 6673 1 16 . 1 1 54 54 ALA C C 51 180.232 180.232 179.390 0.842 17835 6674 1 16 . 1 1 54 54 ALA CA C 51 55.127 55.127 55.023 0.104 17835 6675 1 16 . 1 1 54 54 ALA CB C 51 18.345 18.345 18.468 -0.123 17835 6676 1 16 . 1 1 54 54 ALA H H 51 8.001 8.001 7.814 0.187 17835 6677 1 16 . 1 1 55 55 TYR N N 52 117.474 117.474 120.313 -2.839 17835 6678 1 16 . 1 1 55 55 TYR HA H 52 2.898 2.898 3.264 -0.366 17835 6679 1 16 . 1 1 55 55 TYR C C 52 178.563 178.563 177.418 1.145 17835 6680 1 16 . 1 1 55 55 TYR CA C 52 59.876 59.876 61.220 -1.344 17835 6681 1 16 . 1 1 55 55 TYR CB C 52 37.365 37.365 38.219 -0.854 17835 6682 1 16 . 1 1 55 55 TYR H H 52 7.218 7.218 8.001 -0.783 17835 6683 1 16 . 1 1 56 56 LEU N N 53 121.106 121.106 117.895 3.211 17835 6684 1 16 . 1 1 56 56 LEU HA H 53 3.221 3.221 3.631 -0.410 17835 6685 1 16 . 1 1 56 56 LEU C C 53 179.706 179.706 179.266 0.440 17835 6686 1 16 . 1 1 56 56 LEU CA C 53 57.334 57.334 57.430 -0.096 17835 6687 1 16 . 1 1 56 56 LEU CB C 53 40.788 40.788 41.606 -0.818 17835 6688 1 16 . 1 1 56 56 LEU H H 53 8.440 8.440 7.913 0.527 17835 6689 1 16 . 1 1 57 57 ARG N N 54 116.303 116.303 120.047 -3.744 17835 6690 1 16 . 1 1 57 57 ARG HA H 54 3.722 3.722 4.001 -0.279 17835 6691 1 16 . 1 1 57 57 ARG C C 54 176.071 176.071 177.781 -1.710 17835 6692 1 16 . 1 1 57 57 ARG CA C 54 58.463 58.463 58.637 -0.174 17835 6693 1 16 . 1 1 57 57 ARG CB C 54 29.735 29.735 29.921 -0.186 17835 6694 1 16 . 1 1 57 57 ARG H H 54 7.998 7.998 8.600 -0.602 17835 6695 1 16 . 1 1 58 58 SER N N 55 115.365 115.365 113.579 1.786 17835 6696 1 16 . 1 1 58 58 SER HA H 55 4.357 4.357 4.374 -0.017 17835 6697 1 16 . 1 1 58 58 SER C C 55 173.970 173.970 174.073 -0.103 17835 6698 1 16 . 1 1 58 58 SER CA C 55 59.762 59.762 60.018 -0.256 17835 6699 1 16 . 1 1 58 58 SER CB C 55 63.886 63.886 63.344 0.542 17835 6700 1 16 . 1 1 58 58 SER H H 55 7.491 7.491 7.506 -0.015 17835 6701 1 16 . 1 1 59 59 VAL N N 56 113.059 113.059 121.034 -7.975 17835 6702 1 16 . 1 1 59 59 VAL HA H 56 5.090 5.090 4.618 0.472 17835 6703 1 16 . 1 1 59 59 VAL C C 56 174.276 174.276 173.941 0.335 17835 6704 1 16 . 1 1 59 59 VAL CA C 56 58.444 58.444 58.780 -0.336 17835 6705 1 16 . 1 1 59 59 VAL CB C 56 31.559 31.559 32.608 -1.049 17835 6706 1 16 . 1 1 59 59 VAL H H 56 6.729 6.729 7.168 -0.439 17835 6707 1 16 . 1 1 60 60 PRO HA H 57 4.902 4.902 4.764 0.138 17835 6708 1 16 . 1 1 60 60 PRO C C 57 177.563 177.563 177.344 0.219 17835 6709 1 16 . 1 1 60 60 PRO CA C 57 64.541 64.541 64.514 0.027 17835 6710 1 16 . 1 1 60 60 PRO CB C 57 31.768 31.768 31.638 0.130 17835 6711 1 16 . 1 1 61 61 ALA N N 58 120.004 120.004 119.666 0.338 17835 6712 1 16 . 1 1 61 61 ALA HA H 58 4.327 4.327 4.243 0.084 17835 6713 1 16 . 1 1 61 61 ALA C C 58 177.191 177.191 177.660 -0.469 17835 6714 1 16 . 1 1 61 61 ALA CA C 58 52.795 52.795 53.627 -0.832 17835 6715 1 16 . 1 1 61 61 ALA CB C 58 18.427 18.427 19.176 -0.749 17835 6716 1 16 . 1 1 61 61 ALA H H 58 8.397 8.397 8.167 0.230 17835 6717 1 16 . 1 1 62 62 VAL N N 59 116.635 116.635 113.220 3.415 17835 6718 1 16 . 1 1 62 62 VAL HA H 59 4.032 4.032 4.203 -0.171 17835 6719 1 16 . 1 1 62 62 VAL C C 59 174.238 174.238 174.622 -0.384 17835 6720 1 16 . 1 1 62 62 VAL CA C 59 63.741 63.741 62.934 0.807 17835 6721 1 16 . 1 1 62 62 VAL CB C 59 34.115 34.115 34.821 -0.706 17835 6722 1 16 . 1 1 62 62 VAL H H 59 8.080 8.080 7.611 0.469 17835 6723 1 16 . 1 1 63 63 VAL N N 60 117.153 117.153 118.501 -1.348 17835 6724 1 16 . 1 1 63 63 VAL HA H 60 4.911 4.911 4.603 0.308 17835 6725 1 16 . 1 1 63 63 VAL C C 60 172.258 172.258 173.677 -1.419 17835 6726 1 16 . 1 1 63 63 VAL CA C 60 59.006 59.006 60.860 -1.854 17835 6727 1 16 . 1 1 63 63 VAL CB C 60 35.461 35.461 36.521 -1.060 17835 6728 1 16 . 1 1 63 63 VAL H H 60 7.791 7.791 8.171 -0.380 17835 6729 1 16 . 1 1 64 64 ARG N N 61 129.658 129.658 121.494 8.164 17835 6730 1 16 . 1 1 64 64 ARG HA H 61 4.727 4.727 4.698 0.029 17835 6731 1 16 . 1 1 64 64 ARG C C 61 174.437 174.437 173.622 0.815 17835 6732 1 16 . 1 1 64 64 ARG CA C 61 54.117 54.117 55.511 -1.394 17835 6733 1 16 . 1 1 64 64 ARG CB C 61 32.754 32.754 34.192 -1.438 17835 6734 1 16 . 1 1 64 64 ARG H H 61 9.208 9.208 8.976 0.232 17835 6735 1 16 . 1 1 65 65 ILE N N 62 125.775 125.775 117.705 8.070 17835 6736 1 16 . 1 1 65 65 ILE HA H 62 4.917 4.917 5.310 -0.393 17835 6737 1 16 . 1 1 65 65 ILE C C 62 175.842 175.842 174.585 1.257 17835 6738 1 16 . 1 1 65 65 ILE CA C 62 59.545 59.545 59.840 -0.295 17835 6739 1 16 . 1 1 65 65 ILE CB C 62 39.645 39.645 42.356 -2.711 17835 6740 1 16 . 1 1 65 65 ILE H H 62 8.736 8.736 8.321 0.415 17835 6741 1 16 . 1 1 66 66 GLU N N 63 127.114 127.114 123.088 4.026 17835 6742 1 16 . 1 1 66 66 GLU HA H 63 4.677 4.677 4.722 -0.045 17835 6743 1 16 . 1 1 66 66 GLU C C 63 174.409 174.409 175.270 -0.861 17835 6744 1 16 . 1 1 66 66 GLU CA C 63 54.791 54.791 55.151 -0.360 17835 6745 1 16 . 1 1 66 66 GLU CB C 63 33.078 33.078 32.122 0.956 17835 6746 1 16 . 1 1 66 66 GLU H H 63 9.197 9.197 9.070 0.127 17835 6747 1 16 . 1 1 67 67 ALA N N 64 127.913 127.913 129.907 -1.994 17835 6748 1 16 . 1 1 67 67 ALA HA H 64 5.026 5.026 4.609 0.417 17835 6749 1 16 . 1 1 67 67 ALA C C 64 177.717 177.717 177.204 0.513 17835 6750 1 16 . 1 1 67 67 ALA CA C 64 51.070 51.070 51.691 -0.620 17835 6751 1 16 . 1 1 67 67 ALA CB C 64 19.550 19.550 19.058 0.492 17835 6752 1 16 . 1 1 67 67 ALA H H 64 8.779 8.779 8.628 0.151 17835 6753 1 16 . 1 1 68 68 SER N N 65 119.364 119.364 119.633 -0.269 17835 6754 1 16 . 1 1 68 68 SER HA H 65 4.665 4.665 4.544 0.121 17835 6755 1 16 . 1 1 68 68 SER C C 65 176.518 176.518 176.732 -0.214 17835 6756 1 16 . 1 1 68 68 SER CA C 65 57.096 57.096 56.922 0.174 17835 6757 1 16 . 1 1 68 68 SER CB C 65 65.234 65.234 64.179 1.055 17835 6758 1 16 . 1 1 68 68 SER H H 65 8.951 8.951 8.699 0.252 17835 6759 1 16 . 1 1 69 69 ARG N N 66 123.143 123.143 126.512 -3.369 17835 6760 1 16 . 1 1 69 69 ARG HA H 66 4.153 4.153 4.185 -0.032 17835 6761 1 16 . 1 1 69 69 ARG C C 66 177.356 177.356 176.508 0.848 17835 6762 1 16 . 1 1 69 69 ARG CA C 66 58.973 58.973 58.295 0.678 17835 6763 1 16 . 1 1 69 69 ARG CB C 66 29.659 29.659 28.968 0.691 17835 6764 1 16 . 1 1 69 69 ARG H H 66 9.075 9.075 8.931 0.144 17835 6765 1 16 . 1 1 70 70 SER N N 67 112.081 112.081 114.877 -2.796 17835 6766 1 16 . 1 1 70 70 SER HA H 67 4.416 4.416 4.378 0.038 17835 6767 1 16 . 1 1 70 70 SER C C 67 175.146 175.146 175.394 -0.248 17835 6768 1 16 . 1 1 70 70 SER CA C 67 58.413 58.413 58.582 -0.169 17835 6769 1 16 . 1 1 70 70 SER CB C 67 63.477 63.477 63.725 -0.248 17835 6770 1 16 . 1 1 70 70 SER H H 67 8.083 8.083 7.733 0.350 17835 6771 1 16 . 1 1 71 71 GLY N N 68 110.519 110.519 109.099 1.420 17835 6772 1 16 . 1 1 71 71 GLY C C 68 174.116 174.116 174.127 -0.011 17835 6773 1 16 . 1 1 71 71 GLY CA C 68 45.114 45.114 45.060 0.054 17835 6774 1 16 . 1 1 71 71 GLY H H 68 7.974 7.974 7.917 0.057 17835 6775 1 16 . 1 1 72 72 GLU N N 69 120.663 120.663 120.946 -0.283 17835 6776 1 16 . 1 1 72 72 GLU HA H 69 4.289 4.289 4.480 -0.191 17835 6777 1 16 . 1 1 72 72 GLU C C 69 175.352 175.352 175.325 0.027 17835 6778 1 16 . 1 1 72 72 GLU CA C 69 56.082 56.082 55.627 0.455 17835 6779 1 16 . 1 1 72 72 GLU CB C 69 30.517 30.517 30.890 -0.373 17835 6780 1 16 . 1 1 72 72 GLU H H 69 7.630 7.630 8.083 -0.453 17835 6781 1 16 . 1 1 73 73 ILE N N 70 125.775 125.775 120.549 5.226 17835 6782 1 16 . 1 1 73 73 ILE HA H 70 4.367 4.367 4.920 -0.553 17835 6783 1 16 . 1 1 73 73 ILE C C 70 174.613 174.613 173.716 0.897 17835 6784 1 16 . 1 1 73 73 ILE CA C 70 60.876 60.876 59.425 1.451 17835 6785 1 16 . 1 1 73 73 ILE CB C 70 37.465 37.465 41.542 -4.077 17835 6786 1 16 . 1 1 73 73 ILE H H 70 8.753 8.753 8.271 0.482 17835 6787 1 16 . 1 1 74 74 VAL N N 71 128.300 128.300 128.430 -0.130 17835 6788 1 16 . 1 1 74 74 VAL HA H 71 4.153 4.153 4.392 -0.239 17835 6789 1 16 . 1 1 74 74 VAL C C 71 173.544 173.544 174.613 -1.069 17835 6790 1 16 . 1 1 74 74 VAL CA C 71 61.736 61.736 60.758 0.978 17835 6791 1 16 . 1 1 74 74 VAL CB C 71 33.763 33.763 33.237 0.526 17835 6792 1 16 . 1 1 74 74 VAL H H 71 8.724 8.724 8.741 -0.017 17835 6793 1 16 . 1 1 75 75 CYS N N 72 122.823 122.823 125.978 -3.155 17835 6794 1 16 . 1 1 75 75 CYS HA H 72 4.948 4.948 4.908 0.040 17835 6795 1 16 . 1 1 75 75 CYS C C 72 173.200 173.200 173.859 -0.659 17835 6796 1 16 . 1 1 75 75 CYS CA C 72 57.176 57.176 58.327 -1.151 17835 6797 1 16 . 1 1 75 75 CYS CB C 72 29.712 29.712 29.011 0.701 17835 6798 1 16 . 1 1 75 75 CYS H H 72 8.200 8.200 8.779 -0.579 17835 6799 1 16 . 1 1 76 76 TYR N N 73 119.584 119.584 118.998 0.586 17835 6800 1 16 . 1 1 76 76 TYR HA H 73 5.013 5.013 4.770 0.243 17835 6801 1 16 . 1 1 76 76 TYR C C 73 175.779 175.779 174.929 0.850 17835 6802 1 16 . 1 1 76 76 TYR CA C 73 56.289 56.289 57.098 -0.809 17835 6803 1 16 . 1 1 76 76 TYR CB C 73 42.505 42.505 42.960 -0.455 17835 6804 1 16 . 1 1 76 76 TYR H H 73 9.265 9.265 9.258 0.007 17835 6805 1 16 . 1 1 77 77 ALA N N 74 122.844 122.844 121.730 1.114 17835 6806 1 16 . 1 1 77 77 ALA HA H 74 4.423 4.423 4.638 -0.215 17835 6807 1 16 . 1 1 77 77 ALA C C 74 177.907 177.907 175.729 2.178 17835 6808 1 16 . 1 1 77 77 ALA CA C 74 52.151 52.151 51.154 0.997 17835 6809 1 16 . 1 1 77 77 ALA CB C 74 18.915 18.915 21.052 -2.136 17835 6810 1 16 . 1 1 77 77 ALA H H 74 9.145 9.145 8.913 0.232 17835 6811 1 16 . 1 1 78 78 VAL N N 75 123.434 123.434 116.713 6.721 17835 6812 1 16 . 1 1 78 78 VAL HA H 75 3.826 3.826 4.385 -0.559 17835 6813 1 16 . 1 1 78 78 VAL C C 75 174.995 174.995 174.776 0.219 17835 6814 1 16 . 1 1 78 78 VAL CA C 75 63.379 63.379 61.964 1.415 17835 6815 1 16 . 1 1 78 78 VAL CB C 75 32.715 32.715 34.709 -1.994 17835 6816 1 16 . 1 1 78 78 VAL H H 75 7.894 7.894 8.660 -0.766 17835 6817 1 17 . 1 1 5 5 LEU N N 2 124.907 124.907 121.877 3.030 17835 6818 1 17 . 1 1 5 5 LEU HA H 2 4.299 4.299 4.243 0.056 17835 6819 1 17 . 1 1 5 5 LEU C C 2 177.892 177.892 178.053 -0.161 17835 6820 1 17 . 1 1 5 5 LEU CA C 2 55.749 55.749 55.166 0.584 17835 6821 1 17 . 1 1 5 5 LEU CB C 2 42.001 42.001 42.444 -0.443 17835 6822 1 17 . 1 1 5 5 LEU H H 2 8.636 8.636 8.697 -0.061 17835 6823 1 17 . 1 1 6 6 GLU N N 3 122.649 122.649 122.809 -0.160 17835 6824 1 17 . 1 1 6 6 GLU HA H 3 4.172 4.172 3.932 0.240 17835 6825 1 17 . 1 1 6 6 GLU C C 3 177.481 177.481 178.498 -1.017 17835 6826 1 17 . 1 1 6 6 GLU CA C 3 58.106 58.106 60.148 -2.042 17835 6827 1 17 . 1 1 6 6 GLU CB C 3 28.874 28.874 29.869 -0.995 17835 6828 1 17 . 1 1 6 6 GLU H H 3 8.594 8.594 8.984 -0.390 17835 6829 1 17 . 1 1 7 7 ALA N N 4 121.929 121.929 121.460 0.469 17835 6830 1 17 . 1 1 7 7 ALA HA H 4 3.944 3.944 4.221 -0.277 17835 6831 1 17 . 1 1 7 7 ALA C C 4 180.419 180.419 179.265 1.154 17835 6832 1 17 . 1 1 7 7 ALA CA C 4 55.686 55.686 55.001 0.685 17835 6833 1 17 . 1 1 7 7 ALA CB C 4 18.587 18.587 18.056 0.531 17835 6834 1 17 . 1 1 7 7 ALA H H 4 8.744 8.744 8.284 0.460 17835 6835 1 17 . 1 1 8 8 ASP N N 5 117.514 117.514 119.877 -2.363 17835 6836 1 17 . 1 1 8 8 ASP HA H 5 4.482 4.482 4.479 0.003 17835 6837 1 17 . 1 1 8 8 ASP C C 5 178.010 178.010 178.269 -0.259 17835 6838 1 17 . 1 1 8 8 ASP CA C 5 56.603 56.603 56.881 -0.278 17835 6839 1 17 . 1 1 8 8 ASP CB C 5 40.353 40.353 40.678 -0.325 17835 6840 1 17 . 1 1 8 8 ASP H H 5 8.071 8.071 8.274 -0.203 17835 6841 1 17 . 1 1 9 9 LEU N N 6 122.640 122.640 120.892 1.748 17835 6842 1 17 . 1 1 9 9 LEU HA H 6 4.165 4.165 4.094 0.071 17835 6843 1 17 . 1 1 9 9 LEU C C 6 178.699 178.699 178.708 -0.009 17835 6844 1 17 . 1 1 9 9 LEU CA C 6 57.986 57.986 58.112 -0.126 17835 6845 1 17 . 1 1 9 9 LEU CB C 6 41.675 41.675 42.204 -0.529 17835 6846 1 17 . 1 1 9 9 LEU H H 6 7.713 7.713 8.327 -0.614 17835 6847 1 17 . 1 1 10 10 VAL N N 7 119.303 119.303 115.408 3.895 17835 6848 1 17 . 1 1 10 10 VAL HA H 7 4.025 4.025 3.862 0.163 17835 6849 1 17 . 1 1 10 10 VAL C C 7 178.570 178.570 177.899 0.671 17835 6850 1 17 . 1 1 10 10 VAL CA C 7 65.683 65.683 66.432 -0.749 17835 6851 1 17 . 1 1 10 10 VAL CB C 7 31.841 31.841 31.399 0.442 17835 6852 1 17 . 1 1 10 10 VAL H H 7 8.115 8.115 7.780 0.335 17835 6853 1 17 . 1 1 11 11 SER N N 8 113.146 113.146 118.764 -5.618 17835 6854 1 17 . 1 1 11 11 SER HA H 8 4.042 4.042 4.339 -0.297 17835 6855 1 17 . 1 1 11 11 SER C C 8 176.364 176.364 176.751 -0.387 17835 6856 1 17 . 1 1 11 11 SER CA C 8 62.600 62.600 61.986 0.614 17835 6857 1 17 . 1 1 11 11 SER CB C 8 61.596 61.596 63.148 -1.552 17835 6858 1 17 . 1 1 11 11 SER H H 8 7.796 7.796 8.424 -0.628 17835 6859 1 17 . 1 1 12 12 LYS N N 9 121.690 121.690 122.217 -0.527 17835 6860 1 17 . 1 1 12 12 LYS HA H 9 4.044 4.044 4.013 0.031 17835 6861 1 17 . 1 1 12 12 LYS C C 9 180.048 180.048 178.845 1.203 17835 6862 1 17 . 1 1 12 12 LYS CA C 9 60.002 60.002 59.735 0.267 17835 6863 1 17 . 1 1 12 12 LYS CB C 9 32.839 32.839 32.352 0.487 17835 6864 1 17 . 1 1 12 12 LYS H H 9 7.754 7.754 8.266 -0.512 17835 6865 1 17 . 1 1 13 13 MET N N 10 119.794 119.794 118.743 1.051 17835 6866 1 17 . 1 1 13 13 MET HA H 10 4.420 4.420 4.154 0.266 17835 6867 1 17 . 1 1 13 13 MET C C 10 178.151 178.151 178.459 -0.308 17835 6868 1 17 . 1 1 13 13 MET CA C 10 57.095 57.095 58.596 -1.501 17835 6869 1 17 . 1 1 13 13 MET CB C 10 31.599 31.599 32.228 -0.629 17835 6870 1 17 . 1 1 13 13 MET H H 10 8.451 8.451 8.396 0.055 17835 6871 1 17 . 1 1 14 14 LEU N N 11 122.035 122.035 121.868 0.167 17835 6872 1 17 . 1 1 14 14 LEU HA H 11 4.207 4.207 4.122 0.085 17835 6873 1 17 . 1 1 14 14 LEU C C 11 178.526 178.526 177.956 0.570 17835 6874 1 17 . 1 1 14 14 LEU CA C 11 58.178 58.178 58.935 -0.757 17835 6875 1 17 . 1 1 14 14 LEU CB C 11 42.148 42.148 41.687 0.461 17835 6876 1 17 . 1 1 14 14 LEU H H 11 9.301 9.301 8.819 0.482 17835 6877 1 17 . 1 1 15 15 ARG N N 12 118.150 118.150 119.314 -1.164 17835 6878 1 17 . 1 1 15 15 ARG HA H 12 3.839 3.839 3.806 0.033 17835 6879 1 17 . 1 1 15 15 ARG C C 12 177.951 177.951 178.330 -0.379 17835 6880 1 17 . 1 1 15 15 ARG CA C 12 60.500 60.500 59.650 0.850 17835 6881 1 17 . 1 1 15 15 ARG CB C 12 29.966 29.966 30.061 -0.095 17835 6882 1 17 . 1 1 15 15 ARG H H 12 8.248 8.248 8.427 -0.179 17835 6883 1 17 . 1 1 16 16 ALA N N 13 120.291 120.291 121.069 -0.778 17835 6884 1 17 . 1 1 16 16 ALA HA H 13 4.150 4.150 4.101 0.049 17835 6885 1 17 . 1 1 16 16 ALA C C 13 181.072 181.072 179.950 1.122 17835 6886 1 17 . 1 1 16 16 ALA CA C 13 55.371 55.371 54.983 0.389 17835 6887 1 17 . 1 1 16 16 ALA CB C 13 17.845 17.845 18.183 -0.338 17835 6888 1 17 . 1 1 16 16 ALA H H 13 7.587 7.587 8.263 -0.676 17835 6889 1 17 . 1 1 17 17 VAL N N 14 119.183 119.183 119.517 -0.334 17835 6890 1 17 . 1 1 17 17 VAL HA H 14 3.858 3.858 3.386 0.472 17835 6891 1 17 . 1 1 17 17 VAL C C 14 178.531 178.531 177.861 0.670 17835 6892 1 17 . 1 1 17 17 VAL CA C 14 65.552 65.552 67.307 -1.755 17835 6893 1 17 . 1 1 17 17 VAL CB C 14 32.190 32.190 31.481 0.709 17835 6894 1 17 . 1 1 17 17 VAL H H 14 8.324 8.324 7.999 0.325 17835 6895 1 17 . 1 1 18 18 LEU N N 15 120.498 120.498 119.119 1.379 17835 6896 1 17 . 1 1 18 18 LEU HA H 15 3.985 3.985 3.921 0.064 17835 6897 1 17 . 1 1 18 18 LEU C C 15 179.935 179.935 179.140 0.795 17835 6898 1 17 . 1 1 18 18 LEU CA C 15 58.474 58.474 57.726 0.748 17835 6899 1 17 . 1 1 18 18 LEU CB C 15 41.885 41.885 41.390 0.495 17835 6900 1 17 . 1 1 18 18 LEU H H 15 8.388 8.388 7.973 0.415 17835 6901 1 17 . 1 1 19 19 GLN N N 16 117.835 117.835 116.579 1.256 17835 6902 1 17 . 1 1 19 19 GLN HA H 16 3.981 3.981 4.063 -0.082 17835 6903 1 17 . 1 1 19 19 GLN C C 16 177.304 177.304 178.594 -1.290 17835 6904 1 17 . 1 1 19 19 GLN CA C 16 58.668 58.668 58.051 0.617 17835 6905 1 17 . 1 1 19 19 GLN CB C 16 28.274 28.274 28.627 -0.353 17835 6906 1 17 . 1 1 19 19 GLN H H 16 8.689 8.689 8.470 0.219 17835 6907 1 17 . 1 1 20 20 SER N N 17 111.043 111.043 114.685 -3.642 17835 6908 1 17 . 1 1 20 20 SER HA H 17 4.386 4.386 4.391 -0.005 17835 6909 1 17 . 1 1 20 20 SER C C 17 173.630 173.630 175.794 -2.164 17835 6910 1 17 . 1 1 20 20 SER CA C 17 59.252 59.252 60.940 -1.688 17835 6911 1 17 . 1 1 20 20 SER CB C 17 63.600 63.600 63.674 -0.074 17835 6912 1 17 . 1 1 20 20 SER H H 17 7.461 7.461 7.817 -0.356 17835 6913 1 17 . 1 1 21 21 HIS N N 18 121.324 121.324 119.592 1.732 17835 6914 1 17 . 1 1 21 21 HIS HA H 18 4.824 4.824 4.844 -0.020 17835 6915 1 17 . 1 1 21 21 HIS C C 18 174.835 174.835 175.028 -0.193 17835 6916 1 17 . 1 1 21 21 HIS CA C 18 54.386 54.386 52.774 1.612 17835 6917 1 17 . 1 1 21 21 HIS CB C 18 28.657 28.657 27.857 0.800 17835 6918 1 17 . 1 1 21 21 HIS H H 18 7.692 7.692 7.896 -0.204 17835 6919 1 17 . 1 1 22 22 LYS N N 19 123.925 123.925 121.345 2.580 17835 6920 1 17 . 1 1 22 22 LYS HA H 19 4.161 4.161 4.233 -0.072 17835 6921 1 17 . 1 1 22 22 LYS C C 19 177.562 177.562 177.818 -0.256 17835 6922 1 17 . 1 1 22 22 LYS CA C 19 59.316 59.316 58.232 1.084 17835 6923 1 17 . 1 1 22 22 LYS CB C 19 32.202 32.202 31.899 0.303 17835 6924 1 17 . 1 1 22 22 LYS H H 19 8.809 8.809 8.104 0.705 17835 6925 1 17 . 1 1 23 23 ASN N N 20 115.473 115.473 116.723 -1.250 17835 6926 1 17 . 1 1 23 23 ASN HA H 20 5.073 5.073 4.709 0.364 17835 6927 1 17 . 1 1 23 23 ASN C C 20 174.783 174.783 175.784 -1.001 17835 6928 1 17 . 1 1 23 23 ASN CA C 20 52.835 52.835 53.432 -0.597 17835 6929 1 17 . 1 1 23 23 ASN CB C 20 38.540 38.540 39.036 -0.496 17835 6930 1 17 . 1 1 23 23 ASN H H 20 8.784 8.784 8.196 0.588 17835 6931 1 17 . 1 1 24 24 GLY N N 21 107.402 107.402 108.363 -0.961 17835 6932 1 17 . 1 1 24 24 GLY C C 21 172.572 172.572 172.822 -0.250 17835 6933 1 17 . 1 1 24 24 GLY CA C 21 44.739 44.739 44.433 0.306 17835 6934 1 17 . 1 1 24 24 GLY H H 21 7.743 7.743 7.867 -0.124 17835 6935 1 17 . 1 1 25 25 ILE N N 22 117.796 117.796 116.073 1.723 17835 6936 1 17 . 1 1 25 25 ILE HA H 22 4.272 4.272 4.657 -0.385 17835 6937 1 17 . 1 1 25 25 ILE C C 22 175.452 175.452 174.955 0.497 17835 6938 1 17 . 1 1 25 25 ILE CA C 22 59.468 59.468 59.199 0.269 17835 6939 1 17 . 1 1 25 25 ILE CB C 22 41.833 41.833 40.666 1.167 17835 6940 1 17 . 1 1 25 25 ILE H H 22 8.509 8.509 8.077 0.432 17835 6941 1 17 . 1 1 26 26 VAL N N 23 124.597 124.597 122.461 2.136 17835 6942 1 17 . 1 1 26 26 VAL HA H 23 4.585 4.585 4.356 0.229 17835 6943 1 17 . 1 1 26 26 VAL C C 23 177.566 177.566 177.662 -0.096 17835 6944 1 17 . 1 1 26 26 VAL CA C 23 62.227 62.227 61.985 0.242 17835 6945 1 17 . 1 1 26 26 VAL CB C 23 31.945 31.945 32.005 -0.060 17835 6946 1 17 . 1 1 26 26 VAL H H 23 8.524 8.524 8.441 0.083 17835 6947 1 17 . 1 1 27 27 LEU N N 24 124.858 124.858 121.285 3.573 17835 6948 1 17 . 1 1 27 27 LEU HA H 24 4.011 4.011 4.312 -0.301 17835 6949 1 17 . 1 1 27 27 LEU C C 24 175.569 175.569 176.637 -1.068 17835 6950 1 17 . 1 1 27 27 LEU CA C 24 60.394 60.394 58.880 1.514 17835 6951 1 17 . 1 1 27 27 LEU CB C 24 39.402 39.402 39.082 0.320 17835 6952 1 17 . 1 1 27 27 LEU H H 24 8.816 8.816 8.478 0.338 17835 6953 1 17 . 1 1 28 28 PRO HA H 25 4.401 4.401 4.288 0.113 17835 6954 1 17 . 1 1 28 28 PRO C C 25 177.600 177.600 179.097 -1.497 17835 6955 1 17 . 1 1 28 28 PRO CA C 25 65.549 65.549 65.644 -0.095 17835 6956 1 17 . 1 1 28 28 PRO CB C 25 31.458 31.458 30.909 0.549 17835 6957 1 17 . 1 1 29 29 ARG N N 26 115.136 115.136 119.253 -4.117 17835 6958 1 17 . 1 1 29 29 ARG HA H 26 4.511 4.511 4.136 0.375 17835 6959 1 17 . 1 1 29 29 ARG C C 26 177.152 177.152 178.191 -1.039 17835 6960 1 17 . 1 1 29 29 ARG CA C 26 55.853 55.853 59.238 -3.385 17835 6961 1 17 . 1 1 29 29 ARG CB C 26 30.981 30.981 29.988 0.993 17835 6962 1 17 . 1 1 29 29 ARG H H 26 7.869 7.869 7.866 0.003 17835 6963 1 17 . 1 1 30 30 LEU N N 27 122.984 122.984 122.018 0.966 17835 6964 1 17 . 1 1 30 30 LEU HA H 27 3.842 3.842 3.982 -0.140 17835 6965 1 17 . 1 1 30 30 LEU C C 27 177.872 177.872 178.481 -0.609 17835 6966 1 17 . 1 1 30 30 LEU CA C 27 59.458 59.458 58.662 0.796 17835 6967 1 17 . 1 1 30 30 LEU CB C 27 42.326 42.326 41.363 0.963 17835 6968 1 17 . 1 1 30 30 LEU H H 27 7.870 7.870 8.646 -0.776 17835 6969 1 17 . 1 1 31 31 GLN N N 28 117.382 117.382 117.441 -0.059 17835 6970 1 17 . 1 1 31 31 GLN HA H 28 4.689 4.689 4.052 0.637 17835 6971 1 17 . 1 1 31 31 GLN C C 28 178.888 178.888 178.839 0.049 17835 6972 1 17 . 1 1 31 31 GLN CA C 28 60.243 60.243 59.629 0.614 17835 6973 1 17 . 1 1 31 31 GLN CB C 28 27.811 27.811 28.479 -0.668 17835 6974 1 17 . 1 1 31 31 GLN H H 28 9.217 9.217 8.004 1.213 17835 6975 1 17 . 1 1 32 32 GLY N N 29 105.066 105.066 108.014 -2.948 17835 6976 1 17 . 1 1 32 32 GLY C C 29 177.579 177.579 176.563 1.016 17835 6977 1 17 . 1 1 32 32 GLY CA C 29 47.254 47.254 47.323 -0.069 17835 6978 1 17 . 1 1 32 32 GLY H H 29 8.680 8.680 8.560 0.120 17835 6979 1 17 . 1 1 33 33 GLU N N 30 121.593 121.593 122.963 -1.370 17835 6980 1 17 . 1 1 33 33 GLU HA H 30 4.274 4.274 4.204 0.070 17835 6981 1 17 . 1 1 33 33 GLU C C 30 179.316 179.316 178.882 0.434 17835 6982 1 17 . 1 1 33 33 GLU CA C 30 59.068 59.068 58.454 0.614 17835 6983 1 17 . 1 1 33 33 GLU CB C 30 29.077 29.077 29.339 -0.262 17835 6984 1 17 . 1 1 33 33 GLU H H 30 8.063 8.063 8.414 -0.351 17835 6985 1 17 . 1 1 34 34 TYR N N 31 123.143 123.143 122.067 1.076 17835 6986 1 17 . 1 1 34 34 TYR HA H 31 4.083 4.083 4.055 0.028 17835 6987 1 17 . 1 1 34 34 TYR C C 31 178.379 178.379 177.172 1.207 17835 6988 1 17 . 1 1 34 34 TYR CA C 31 62.406 62.406 61.721 0.685 17835 6989 1 17 . 1 1 34 34 TYR CB C 31 39.405 39.405 38.386 1.020 17835 6990 1 17 . 1 1 34 34 TYR H H 31 9.063 9.063 8.790 0.273 17835 6991 1 17 . 1 1 35 35 ARG N N 32 123.458 123.458 119.772 3.686 17835 6992 1 17 . 1 1 35 35 ARG HA H 32 4.281 4.281 3.939 0.342 17835 6993 1 17 . 1 1 35 35 ARG C C 32 180.186 180.186 178.969 1.217 17835 6994 1 17 . 1 1 35 35 ARG CA C 32 58.908 58.908 59.167 -0.259 17835 6995 1 17 . 1 1 35 35 ARG CB C 32 29.708 29.708 29.933 -0.225 17835 6996 1 17 . 1 1 35 35 ARG H H 32 9.321 9.321 8.665 0.656 17835 6997 1 17 . 1 1 36 36 SER N N 33 116.071 116.071 115.710 0.361 17835 6998 1 17 . 1 1 36 36 SER HA H 33 4.048 4.048 4.080 -0.032 17835 6999 1 17 . 1 1 36 36 SER C C 33 175.063 175.063 175.730 -0.667 17835 7000 1 17 . 1 1 36 36 SER CA C 33 61.856 61.856 61.016 0.840 17835 7001 1 17 . 1 1 36 36 SER CB C 33 62.779 62.779 63.007 -0.228 17835 7002 1 17 . 1 1 36 36 SER H H 33 8.078 8.078 7.949 0.129 17835 7003 1 17 . 1 1 37 37 LEU N N 34 118.571 118.571 122.170 -3.599 17835 7004 1 17 . 1 1 37 37 LEU HA H 34 4.342 4.342 4.176 0.166 17835 7005 1 17 . 1 1 37 37 LEU C C 34 178.400 178.400 178.276 0.124 17835 7006 1 17 . 1 1 37 37 LEU CA C 34 57.073 57.073 57.130 -0.057 17835 7007 1 17 . 1 1 37 37 LEU CB C 34 43.132 43.132 42.477 0.655 17835 7008 1 17 . 1 1 37 37 LEU H H 34 7.167 7.167 7.510 -0.343 17835 7009 1 17 . 1 1 38 38 THR N N 35 106.425 106.425 108.519 -2.094 17835 7010 1 17 . 1 1 38 38 THR HA H 35 4.163 4.163 4.048 0.115 17835 7011 1 17 . 1 1 38 38 THR C C 35 176.259 176.259 175.850 0.409 17835 7012 1 17 . 1 1 38 38 THR CA C 35 62.637 62.637 62.495 0.142 17835 7013 1 17 . 1 1 38 38 THR CB C 35 71.659 71.659 69.812 1.847 17835 7014 1 17 . 1 1 38 38 THR H H 35 8.168 8.168 7.921 0.247 17835 7015 1 17 . 1 1 39 39 GLY N N 36 112.162 112.162 111.469 0.693 17835 7016 1 17 . 1 1 39 39 GLY C C 36 172.464 172.464 172.923 -0.459 17835 7017 1 17 . 1 1 39 39 GLY CA C 36 45.225 45.225 45.087 0.138 17835 7018 1 17 . 1 1 39 39 GLY H H 36 8.759 8.759 8.087 0.672 17835 7019 1 17 . 1 1 40 40 ASP N N 37 121.106 121.106 118.421 2.685 17835 7020 1 17 . 1 1 40 40 ASP HA H 37 4.733 4.733 4.750 -0.017 17835 7021 1 17 . 1 1 40 40 ASP C C 37 173.861 173.861 173.835 0.026 17835 7022 1 17 . 1 1 40 40 ASP CA C 37 52.159 52.159 51.906 0.253 17835 7023 1 17 . 1 1 40 40 ASP CB C 37 44.573 44.573 43.634 0.939 17835 7024 1 17 . 1 1 40 40 ASP H H 37 8.414 8.414 7.586 0.828 17835 7025 1 17 . 1 1 41 41 TRP N N 38 115.206 115.206 118.793 -3.587 17835 7026 1 17 . 1 1 41 41 TRP HA H 38 5.107 5.107 4.944 0.163 17835 7027 1 17 . 1 1 41 41 TRP C C 38 177.125 177.125 177.721 -0.596 17835 7028 1 17 . 1 1 41 41 TRP CA C 38 54.889 54.889 55.878 -0.989 17835 7029 1 17 . 1 1 41 41 TRP CB C 38 31.592 31.592 31.181 0.411 17835 7030 1 17 . 1 1 41 41 TRP H H 38 8.016 8.016 8.357 -0.341 17835 7031 1 17 . 1 1 42 42 ILE N N 39 123.723 123.723 123.407 0.316 17835 7032 1 17 . 1 1 42 42 ILE HA H 39 3.512 3.512 3.676 -0.164 17835 7033 1 17 . 1 1 42 42 ILE C C 39 177.199 177.199 176.184 1.015 17835 7034 1 17 . 1 1 42 42 ILE CA C 39 60.467 60.467 61.219 -0.752 17835 7035 1 17 . 1 1 42 42 ILE CB C 39 38.133 38.133 37.947 0.187 17835 7036 1 17 . 1 1 42 42 ILE H H 39 10.079 10.079 9.169 0.910 17835 7037 1 17 . 1 1 43 43 PRO HA H 40 4.600 4.600 4.697 -0.097 17835 7038 1 17 . 1 1 43 43 PRO C C 40 174.997 174.997 176.716 -1.719 17835 7039 1 17 . 1 1 43 43 PRO CA C 40 62.511 62.511 62.368 0.143 17835 7040 1 17 . 1 1 43 43 PRO CB C 40 27.857 27.857 29.303 -1.446 17835 7041 1 17 . 1 1 44 44 PHE N N 41 118.808 118.808 120.319 -1.511 17835 7042 1 17 . 1 1 44 44 PHE HA H 41 3.737 3.737 4.169 -0.432 17835 7043 1 17 . 1 1 44 44 PHE C C 41 175.891 175.891 176.755 -0.864 17835 7044 1 17 . 1 1 44 44 PHE CA C 41 60.911 60.911 61.739 -0.828 17835 7045 1 17 . 1 1 44 44 PHE CB C 41 38.412 38.412 37.610 0.802 17835 7046 1 17 . 1 1 44 44 PHE H H 41 7.647 7.647 7.857 -0.210 17835 7047 1 17 . 1 1 45 45 LYS N N 42 123.543 123.543 119.940 3.603 17835 7048 1 17 . 1 1 45 45 LYS HA H 42 4.763 4.763 4.071 0.692 17835 7049 1 17 . 1 1 45 45 LYS C C 42 181.828 181.828 178.626 3.202 17835 7050 1 17 . 1 1 45 45 LYS CA C 42 58.959 58.959 58.825 0.134 17835 7051 1 17 . 1 1 45 45 LYS CB C 42 31.599 31.599 31.596 0.003 17835 7052 1 17 . 1 1 45 45 LYS H H 42 7.387 7.387 7.259 0.128 17835 7053 1 17 . 1 1 46 46 GLN N N 43 123.171 123.171 117.973 5.198 17835 7054 1 17 . 1 1 46 46 GLN HA H 43 3.896 3.896 4.006 -0.110 17835 7055 1 17 . 1 1 46 46 GLN C C 43 178.167 178.167 177.912 0.255 17835 7056 1 17 . 1 1 46 46 GLN CA C 43 59.066 59.066 58.334 0.732 17835 7057 1 17 . 1 1 46 46 GLN CB C 43 27.702 27.702 28.204 -0.502 17835 7058 1 17 . 1 1 46 46 GLN H H 43 8.567 8.567 7.835 0.732 17835 7059 1 17 . 1 1 47 47 LEU N N 44 116.472 116.472 118.568 -2.096 17835 7060 1 17 . 1 1 47 47 LEU HA H 44 4.255 4.255 4.164 0.091 17835 7061 1 17 . 1 1 47 47 LEU C C 44 176.103 176.103 178.135 -2.032 17835 7062 1 17 . 1 1 47 47 LEU CA C 44 55.308 55.308 56.151 -0.843 17835 7063 1 17 . 1 1 47 47 LEU CB C 44 41.374 41.374 42.829 -1.455 17835 7064 1 17 . 1 1 47 47 LEU H H 44 7.544 7.544 8.234 -0.690 17835 7065 1 17 . 1 1 48 48 GLY N N 45 104.932 104.932 103.637 1.295 17835 7066 1 17 . 1 1 48 48 GLY C C 45 173.844 173.844 174.397 -0.553 17835 7067 1 17 . 1 1 48 48 GLY CA C 45 44.826 44.826 44.400 0.426 17835 7068 1 17 . 1 1 48 48 GLY H H 45 7.741 7.741 7.908 -0.167 17835 7069 1 17 . 1 1 49 49 TYR N N 46 119.946 119.946 121.011 -1.065 17835 7070 1 17 . 1 1 49 49 TYR HA H 46 4.839 4.839 4.871 -0.032 17835 7071 1 17 . 1 1 49 49 TYR C C 46 174.575 174.575 174.935 -0.360 17835 7072 1 17 . 1 1 49 49 TYR CA C 46 56.349 56.349 55.986 0.363 17835 7073 1 17 . 1 1 49 49 TYR CB C 46 41.464 41.464 38.426 3.038 17835 7074 1 17 . 1 1 49 49 TYR H H 46 8.332 8.332 7.991 0.341 17835 7075 1 17 . 1 1 50 50 PRO HA H 47 4.556 4.556 4.539 0.017 17835 7076 1 17 . 1 1 50 50 PRO C C 47 177.125 177.125 176.235 0.890 17835 7077 1 17 . 1 1 50 50 PRO CA C 47 64.115 64.115 65.050 -0.935 17835 7078 1 17 . 1 1 50 50 PRO CB C 47 32.152 32.152 31.881 0.271 17835 7079 1 17 . 1 1 51 51 THR N N 48 105.643 105.643 108.551 -2.908 17835 7080 1 17 . 1 1 51 51 THR HA H 48 4.129 4.129 4.306 -0.177 17835 7081 1 17 . 1 1 51 51 THR C C 48 173.270 173.270 174.750 -1.480 17835 7082 1 17 . 1 1 51 51 THR CA C 48 58.738 58.738 59.957 -1.219 17835 7083 1 17 . 1 1 51 51 THR CB C 48 73.254 73.254 72.018 1.236 17835 7084 1 17 . 1 1 51 51 THR H H 48 6.939 6.939 7.703 -0.764 17835 7085 1 17 . 1 1 52 52 LEU N N 49 121.743 121.743 122.952 -1.209 17835 7086 1 17 . 1 1 52 52 LEU HA H 49 3.325 3.325 3.887 -0.562 17835 7087 1 17 . 1 1 52 52 LEU C C 49 178.195 178.195 178.809 -0.614 17835 7088 1 17 . 1 1 52 52 LEU CA C 49 57.551 57.551 57.691 -0.140 17835 7089 1 17 . 1 1 52 52 LEU CB C 49 40.517 40.517 40.346 0.171 17835 7090 1 17 . 1 1 52 52 LEU H H 49 7.849 7.849 8.128 -0.279 17835 7091 1 17 . 1 1 53 53 GLU N N 50 118.706 118.706 119.118 -0.412 17835 7092 1 17 . 1 1 53 53 GLU HA H 50 3.411 3.411 3.882 -0.471 17835 7093 1 17 . 1 1 53 53 GLU C C 50 176.853 176.853 178.512 -1.659 17835 7094 1 17 . 1 1 53 53 GLU CA C 50 60.720 60.720 59.419 1.300 17835 7095 1 17 . 1 1 53 53 GLU CB C 50 28.696 28.696 28.737 -0.041 17835 7096 1 17 . 1 1 53 53 GLU H H 50 8.981 8.981 8.734 0.247 17835 7097 1 17 . 1 1 54 54 ALA N N 51 119.673 119.673 122.636 -2.963 17835 7098 1 17 . 1 1 54 54 ALA HA H 51 3.885 3.885 4.021 -0.136 17835 7099 1 17 . 1 1 54 54 ALA C C 51 180.232 180.232 179.419 0.813 17835 7100 1 17 . 1 1 54 54 ALA CA C 51 55.127 55.127 55.071 0.056 17835 7101 1 17 . 1 1 54 54 ALA CB C 51 18.345 18.345 18.470 -0.125 17835 7102 1 17 . 1 1 54 54 ALA H H 51 8.001 8.001 7.863 0.138 17835 7103 1 17 . 1 1 55 55 TYR N N 52 117.474 117.474 120.223 -2.749 17835 7104 1 17 . 1 1 55 55 TYR HA H 52 2.898 2.898 3.268 -0.370 17835 7105 1 17 . 1 1 55 55 TYR C C 52 178.563 178.563 177.367 1.196 17835 7106 1 17 . 1 1 55 55 TYR CA C 52 59.876 59.876 61.078 -1.202 17835 7107 1 17 . 1 1 55 55 TYR CB C 52 37.365 37.365 38.215 -0.850 17835 7108 1 17 . 1 1 55 55 TYR H H 52 7.218 7.218 7.980 -0.762 17835 7109 1 17 . 1 1 56 56 LEU N N 53 121.106 121.106 117.951 3.155 17835 7110 1 17 . 1 1 56 56 LEU HA H 53 3.221 3.221 3.638 -0.417 17835 7111 1 17 . 1 1 56 56 LEU C C 53 179.706 179.706 179.230 0.476 17835 7112 1 17 . 1 1 56 56 LEU CA C 53 57.334 57.334 57.452 -0.118 17835 7113 1 17 . 1 1 56 56 LEU CB C 53 40.788 40.788 41.634 -0.846 17835 7114 1 17 . 1 1 56 56 LEU H H 53 8.440 8.440 8.072 0.368 17835 7115 1 17 . 1 1 57 57 ARG N N 54 116.303 116.303 120.028 -3.725 17835 7116 1 17 . 1 1 57 57 ARG HA H 54 3.722 3.722 4.000 -0.278 17835 7117 1 17 . 1 1 57 57 ARG C C 54 176.071 176.071 177.797 -1.726 17835 7118 1 17 . 1 1 57 57 ARG CA C 54 58.463 58.463 58.637 -0.174 17835 7119 1 17 . 1 1 57 57 ARG CB C 54 29.735 29.735 29.893 -0.158 17835 7120 1 17 . 1 1 57 57 ARG H H 54 7.998 7.998 8.599 -0.601 17835 7121 1 17 . 1 1 58 58 SER N N 55 115.365 115.365 112.999 2.366 17835 7122 1 17 . 1 1 58 58 SER HA H 55 4.357 4.357 4.364 -0.007 17835 7123 1 17 . 1 1 58 58 SER C C 55 173.970 173.970 174.000 -0.030 17835 7124 1 17 . 1 1 58 58 SER CA C 55 59.762 59.762 60.070 -0.308 17835 7125 1 17 . 1 1 58 58 SER CB C 55 63.886 63.886 63.384 0.502 17835 7126 1 17 . 1 1 58 58 SER H H 55 7.491 7.491 7.550 -0.059 17835 7127 1 17 . 1 1 59 59 VAL N N 56 113.059 113.059 120.280 -7.221 17835 7128 1 17 . 1 1 59 59 VAL HA H 56 5.090 5.090 4.517 0.573 17835 7129 1 17 . 1 1 59 59 VAL C C 56 174.276 174.276 173.791 0.485 17835 7130 1 17 . 1 1 59 59 VAL CA C 56 58.444 58.444 58.704 -0.260 17835 7131 1 17 . 1 1 59 59 VAL CB C 56 31.559 31.559 32.888 -1.329 17835 7132 1 17 . 1 1 59 59 VAL H H 56 6.729 6.729 7.062 -0.333 17835 7133 1 17 . 1 1 60 60 PRO HA H 57 4.902 4.902 4.703 0.199 17835 7134 1 17 . 1 1 60 60 PRO C C 57 177.563 177.563 177.233 0.330 17835 7135 1 17 . 1 1 60 60 PRO CA C 57 64.541 64.541 64.561 -0.020 17835 7136 1 17 . 1 1 60 60 PRO CB C 57 31.768 31.768 31.778 -0.010 17835 7137 1 17 . 1 1 61 61 ALA N N 58 120.004 120.004 118.810 1.194 17835 7138 1 17 . 1 1 61 61 ALA HA H 58 4.327 4.327 4.314 0.013 17835 7139 1 17 . 1 1 61 61 ALA C C 58 177.191 177.191 177.997 -0.806 17835 7140 1 17 . 1 1 61 61 ALA CA C 58 52.795 52.795 53.887 -1.092 17835 7141 1 17 . 1 1 61 61 ALA CB C 58 18.427 18.427 19.113 -0.686 17835 7142 1 17 . 1 1 61 61 ALA H H 58 8.397 8.397 8.054 0.343 17835 7143 1 17 . 1 1 62 62 VAL N N 59 116.635 116.635 114.558 2.077 17835 7144 1 17 . 1 1 62 62 VAL HA H 59 4.032 4.032 4.310 -0.278 17835 7145 1 17 . 1 1 62 62 VAL C C 59 174.238 174.238 174.524 -0.286 17835 7146 1 17 . 1 1 62 62 VAL CA C 59 63.741 63.741 63.629 0.112 17835 7147 1 17 . 1 1 62 62 VAL CB C 59 34.115 34.115 34.862 -0.747 17835 7148 1 17 . 1 1 62 62 VAL H H 59 8.080 8.080 7.559 0.521 17835 7149 1 17 . 1 1 63 63 VAL N N 60 117.153 117.153 117.909 -0.756 17835 7150 1 17 . 1 1 63 63 VAL HA H 60 4.911 4.911 4.634 0.277 17835 7151 1 17 . 1 1 63 63 VAL C C 60 172.258 172.258 173.478 -1.220 17835 7152 1 17 . 1 1 63 63 VAL CA C 60 59.006 59.006 60.100 -1.094 17835 7153 1 17 . 1 1 63 63 VAL CB C 60 35.461 35.461 36.252 -0.791 17835 7154 1 17 . 1 1 63 63 VAL H H 60 7.791 7.791 8.151 -0.360 17835 7155 1 17 . 1 1 64 64 ARG N N 61 129.658 129.658 121.681 7.977 17835 7156 1 17 . 1 1 64 64 ARG HA H 61 4.727 4.727 4.655 0.072 17835 7157 1 17 . 1 1 64 64 ARG C C 61 174.437 174.437 173.485 0.952 17835 7158 1 17 . 1 1 64 64 ARG CA C 61 54.117 54.117 55.428 -1.311 17835 7159 1 17 . 1 1 64 64 ARG CB C 61 32.754 32.754 34.419 -1.665 17835 7160 1 17 . 1 1 64 64 ARG H H 61 9.208 9.208 8.921 0.287 17835 7161 1 17 . 1 1 65 65 ILE N N 62 125.775 125.775 117.624 8.151 17835 7162 1 17 . 1 1 65 65 ILE HA H 62 4.917 4.917 5.346 -0.429 17835 7163 1 17 . 1 1 65 65 ILE C C 62 175.842 175.842 174.640 1.202 17835 7164 1 17 . 1 1 65 65 ILE CA C 62 59.545 59.545 59.794 -0.249 17835 7165 1 17 . 1 1 65 65 ILE CB C 62 39.645 39.645 42.371 -2.726 17835 7166 1 17 . 1 1 65 65 ILE H H 62 8.736 8.736 8.321 0.415 17835 7167 1 17 . 1 1 66 66 GLU N N 63 127.114 127.114 122.950 4.164 17835 7168 1 17 . 1 1 66 66 GLU HA H 63 4.677 4.677 4.732 -0.055 17835 7169 1 17 . 1 1 66 66 GLU C C 63 174.409 174.409 175.277 -0.868 17835 7170 1 17 . 1 1 66 66 GLU CA C 63 54.791 54.791 54.866 -0.075 17835 7171 1 17 . 1 1 66 66 GLU CB C 63 33.078 33.078 31.723 1.355 17835 7172 1 17 . 1 1 66 66 GLU H H 63 9.197 9.197 9.089 0.108 17835 7173 1 17 . 1 1 67 67 ALA N N 64 127.913 127.913 129.737 -1.824 17835 7174 1 17 . 1 1 67 67 ALA HA H 64 5.026 5.026 4.675 0.351 17835 7175 1 17 . 1 1 67 67 ALA C C 64 177.717 177.717 177.225 0.492 17835 7176 1 17 . 1 1 67 67 ALA CA C 64 51.070 51.070 51.660 -0.590 17835 7177 1 17 . 1 1 67 67 ALA CB C 64 19.550 19.550 19.028 0.522 17835 7178 1 17 . 1 1 67 67 ALA H H 64 8.779 8.779 8.604 0.175 17835 7179 1 17 . 1 1 68 68 SER N N 65 119.364 119.364 120.046 -0.682 17835 7180 1 17 . 1 1 68 68 SER HA H 65 4.665 4.665 4.434 0.231 17835 7181 1 17 . 1 1 68 68 SER C C 65 176.518 176.518 176.645 -0.127 17835 7182 1 17 . 1 1 68 68 SER CA C 65 57.096 57.096 57.274 -0.178 17835 7183 1 17 . 1 1 68 68 SER CB C 65 65.234 65.234 64.379 0.855 17835 7184 1 17 . 1 1 68 68 SER H H 65 8.951 8.951 8.498 0.453 17835 7185 1 17 . 1 1 69 69 ARG N N 66 123.143 123.143 125.814 -2.671 17835 7186 1 17 . 1 1 69 69 ARG HA H 66 4.153 4.153 4.197 -0.044 17835 7187 1 17 . 1 1 69 69 ARG C C 66 177.356 177.356 176.745 0.611 17835 7188 1 17 . 1 1 69 69 ARG CA C 66 58.973 58.973 58.097 0.876 17835 7189 1 17 . 1 1 69 69 ARG CB C 66 29.659 29.659 29.263 0.396 17835 7190 1 17 . 1 1 69 69 ARG H H 66 9.075 9.075 8.932 0.143 17835 7191 1 17 . 1 1 70 70 SER N N 67 112.081 112.081 115.722 -3.641 17835 7192 1 17 . 1 1 70 70 SER HA H 67 4.416 4.416 4.387 0.029 17835 7193 1 17 . 1 1 70 70 SER C C 67 175.146 175.146 175.408 -0.262 17835 7194 1 17 . 1 1 70 70 SER CA C 67 58.413 58.413 58.429 -0.016 17835 7195 1 17 . 1 1 70 70 SER CB C 67 63.477 63.477 63.527 -0.050 17835 7196 1 17 . 1 1 70 70 SER H H 67 8.083 8.083 7.742 0.341 17835 7197 1 17 . 1 1 71 71 GLY N N 68 110.519 110.519 109.349 1.170 17835 7198 1 17 . 1 1 71 71 GLY C C 68 174.116 174.116 173.516 0.600 17835 7199 1 17 . 1 1 71 71 GLY CA C 68 45.114 45.114 45.155 -0.041 17835 7200 1 17 . 1 1 71 71 GLY H H 68 7.974 7.974 7.842 0.132 17835 7201 1 17 . 1 1 72 72 GLU N N 69 120.663 120.663 119.144 1.519 17835 7202 1 17 . 1 1 72 72 GLU HA H 69 4.289 4.289 4.690 -0.401 17835 7203 1 17 . 1 1 72 72 GLU C C 69 175.352 175.352 174.360 0.992 17835 7204 1 17 . 1 1 72 72 GLU CA C 69 56.082 56.082 54.406 1.676 17835 7205 1 17 . 1 1 72 72 GLU CB C 69 30.517 30.517 32.956 -2.439 17835 7206 1 17 . 1 1 72 72 GLU H H 69 7.630 7.630 7.567 0.063 17835 7207 1 17 . 1 1 73 73 ILE N N 70 125.775 125.775 121.446 4.329 17835 7208 1 17 . 1 1 73 73 ILE HA H 70 4.367 4.367 4.979 -0.612 17835 7209 1 17 . 1 1 73 73 ILE C C 70 174.613 174.613 173.550 1.063 17835 7210 1 17 . 1 1 73 73 ILE CA C 70 60.876 60.876 59.372 1.504 17835 7211 1 17 . 1 1 73 73 ILE CB C 70 37.465 37.465 41.558 -4.093 17835 7212 1 17 . 1 1 73 73 ILE H H 70 8.753 8.753 8.398 0.355 17835 7213 1 17 . 1 1 74 74 VAL N N 71 128.300 128.300 128.483 -0.183 17835 7214 1 17 . 1 1 74 74 VAL HA H 71 4.153 4.153 4.376 -0.223 17835 7215 1 17 . 1 1 74 74 VAL C C 71 173.544 173.544 174.489 -0.945 17835 7216 1 17 . 1 1 74 74 VAL CA C 71 61.736 61.736 60.769 0.967 17835 7217 1 17 . 1 1 74 74 VAL CB C 71 33.763 33.763 33.521 0.242 17835 7218 1 17 . 1 1 74 74 VAL H H 71 8.724 8.724 8.685 0.039 17835 7219 1 17 . 1 1 75 75 CYS N N 72 122.823 122.823 124.462 -1.639 17835 7220 1 17 . 1 1 75 75 CYS HA H 72 4.948 4.948 5.089 -0.141 17835 7221 1 17 . 1 1 75 75 CYS C C 72 173.200 173.200 173.644 -0.444 17835 7222 1 17 . 1 1 75 75 CYS CA C 72 57.176 57.176 57.626 -0.450 17835 7223 1 17 . 1 1 75 75 CYS CB C 72 29.712 29.712 30.002 -0.290 17835 7224 1 17 . 1 1 75 75 CYS H H 72 8.200 8.200 8.712 -0.512 17835 7225 1 17 . 1 1 76 76 TYR N N 73 119.584 119.584 119.348 0.236 17835 7226 1 17 . 1 1 76 76 TYR HA H 73 5.013 5.013 4.786 0.227 17835 7227 1 17 . 1 1 76 76 TYR C C 73 175.779 175.779 174.946 0.833 17835 7228 1 17 . 1 1 76 76 TYR CA C 73 56.289 56.289 57.032 -0.743 17835 7229 1 17 . 1 1 76 76 TYR CB C 73 42.505 42.505 43.136 -0.631 17835 7230 1 17 . 1 1 76 76 TYR H H 73 9.265 9.265 9.284 -0.019 17835 7231 1 17 . 1 1 77 77 ALA N N 74 122.844 122.844 122.073 0.771 17835 7232 1 17 . 1 1 77 77 ALA HA H 74 4.423 4.423 4.534 -0.111 17835 7233 1 17 . 1 1 77 77 ALA C C 74 177.907 177.907 175.824 2.083 17835 7234 1 17 . 1 1 77 77 ALA CA C 74 52.151 52.151 51.682 0.469 17835 7235 1 17 . 1 1 77 77 ALA CB C 74 18.915 18.915 20.471 -1.556 17835 7236 1 17 . 1 1 77 77 ALA H H 74 9.145 9.145 8.920 0.225 17835 7237 1 17 . 1 1 78 78 VAL N N 75 123.434 123.434 117.723 5.711 17835 7238 1 17 . 1 1 78 78 VAL HA H 75 3.826 3.826 4.218 -0.392 17835 7239 1 17 . 1 1 78 78 VAL C C 75 174.995 174.995 175.561 -0.566 17835 7240 1 17 . 1 1 78 78 VAL CA C 75 63.379 63.379 62.115 1.264 17835 7241 1 17 . 1 1 78 78 VAL CB C 75 32.715 32.715 34.429 -1.714 17835 7242 1 17 . 1 1 78 78 VAL H H 75 7.894 7.894 8.639 -0.745 17835 7243 1 18 . 1 1 5 5 LEU N N 2 124.907 124.907 121.792 3.115 17835 7244 1 18 . 1 1 5 5 LEU HA H 2 4.299 4.299 4.436 -0.137 17835 7245 1 18 . 1 1 5 5 LEU C C 2 177.892 177.892 178.083 -0.191 17835 7246 1 18 . 1 1 5 5 LEU CA C 2 55.749 55.749 54.477 1.272 17835 7247 1 18 . 1 1 5 5 LEU CB C 2 42.001 42.001 42.483 -0.483 17835 7248 1 18 . 1 1 5 5 LEU H H 2 8.636 8.636 8.534 0.102 17835 7249 1 18 . 1 1 6 6 GLU N N 3 122.649 122.649 122.177 0.472 17835 7250 1 18 . 1 1 6 6 GLU HA H 3 4.172 4.172 3.959 0.213 17835 7251 1 18 . 1 1 6 6 GLU C C 3 177.481 177.481 178.549 -1.068 17835 7252 1 18 . 1 1 6 6 GLU CA C 3 58.106 58.106 60.087 -1.981 17835 7253 1 18 . 1 1 6 6 GLU CB C 3 28.874 28.874 29.724 -0.850 17835 7254 1 18 . 1 1 6 6 GLU H H 3 8.594 8.594 8.968 -0.374 17835 7255 1 18 . 1 1 7 7 ALA N N 4 121.929 121.929 121.287 0.642 17835 7256 1 18 . 1 1 7 7 ALA HA H 4 3.944 3.944 4.190 -0.246 17835 7257 1 18 . 1 1 7 7 ALA C C 4 180.419 180.419 179.387 1.032 17835 7258 1 18 . 1 1 7 7 ALA CA C 4 55.686 55.686 55.089 0.597 17835 7259 1 18 . 1 1 7 7 ALA CB C 4 18.587 18.587 17.997 0.590 17835 7260 1 18 . 1 1 7 7 ALA H H 4 8.744 8.744 8.391 0.353 17835 7261 1 18 . 1 1 8 8 ASP N N 5 117.514 117.514 119.731 -2.217 17835 7262 1 18 . 1 1 8 8 ASP HA H 5 4.482 4.482 4.512 -0.030 17835 7263 1 18 . 1 1 8 8 ASP C C 5 178.010 178.010 178.225 -0.215 17835 7264 1 18 . 1 1 8 8 ASP CA C 5 56.603 56.603 56.831 -0.228 17835 7265 1 18 . 1 1 8 8 ASP CB C 5 40.353 40.353 40.712 -0.359 17835 7266 1 18 . 1 1 8 8 ASP H H 5 8.071 8.071 8.281 -0.210 17835 7267 1 18 . 1 1 9 9 LEU N N 6 122.640 122.640 121.284 1.356 17835 7268 1 18 . 1 1 9 9 LEU HA H 6 4.165 4.165 4.034 0.131 17835 7269 1 18 . 1 1 9 9 LEU C C 6 178.699 178.699 178.552 0.147 17835 7270 1 18 . 1 1 9 9 LEU CA C 6 57.986 57.986 58.373 -0.388 17835 7271 1 18 . 1 1 9 9 LEU CB C 6 41.675 41.675 42.161 -0.486 17835 7272 1 18 . 1 1 9 9 LEU H H 6 7.713 7.713 8.343 -0.630 17835 7273 1 18 . 1 1 10 10 VAL N N 7 119.303 119.303 115.503 3.800 17835 7274 1 18 . 1 1 10 10 VAL HA H 7 4.025 4.025 3.831 0.194 17835 7275 1 18 . 1 1 10 10 VAL C C 7 178.570 178.570 177.880 0.690 17835 7276 1 18 . 1 1 10 10 VAL CA C 7 65.683 65.683 66.741 -1.058 17835 7277 1 18 . 1 1 10 10 VAL CB C 7 31.841 31.841 31.397 0.444 17835 7278 1 18 . 1 1 10 10 VAL H H 7 8.115 8.115 8.099 0.016 17835 7279 1 18 . 1 1 11 11 SER N N 8 113.146 113.146 118.679 -5.533 17835 7280 1 18 . 1 1 11 11 SER HA H 8 4.042 4.042 4.328 -0.286 17835 7281 1 18 . 1 1 11 11 SER C C 8 176.364 176.364 176.781 -0.417 17835 7282 1 18 . 1 1 11 11 SER CA C 8 62.600 62.600 62.818 -0.218 17835 7283 1 18 . 1 1 11 11 SER CB C 8 61.596 61.596 63.151 -1.555 17835 7284 1 18 . 1 1 11 11 SER H H 8 7.796 7.796 8.180 -0.384 17835 7285 1 18 . 1 1 12 12 LYS N N 9 121.690 121.690 121.916 -0.226 17835 7286 1 18 . 1 1 12 12 LYS HA H 9 4.044 4.044 3.994 0.050 17835 7287 1 18 . 1 1 12 12 LYS C C 9 180.048 180.048 178.796 1.252 17835 7288 1 18 . 1 1 12 12 LYS CA C 9 60.002 60.002 59.693 0.309 17835 7289 1 18 . 1 1 12 12 LYS CB C 9 32.839 32.839 32.311 0.528 17835 7290 1 18 . 1 1 12 12 LYS H H 9 7.754 7.754 8.325 -0.571 17835 7291 1 18 . 1 1 13 13 MET N N 10 119.794 119.794 118.866 0.928 17835 7292 1 18 . 1 1 13 13 MET HA H 10 4.420 4.420 4.177 0.243 17835 7293 1 18 . 1 1 13 13 MET C C 10 178.151 178.151 178.445 -0.294 17835 7294 1 18 . 1 1 13 13 MET CA C 10 57.095 57.095 57.973 -0.878 17835 7295 1 18 . 1 1 13 13 MET CB C 10 31.599 31.599 31.951 -0.351 17835 7296 1 18 . 1 1 13 13 MET H H 10 8.451 8.451 8.410 0.041 17835 7297 1 18 . 1 1 14 14 LEU N N 11 122.035 122.035 122.163 -0.128 17835 7298 1 18 . 1 1 14 14 LEU HA H 11 4.207 4.207 4.124 0.083 17835 7299 1 18 . 1 1 14 14 LEU C C 11 178.526 178.526 178.174 0.352 17835 7300 1 18 . 1 1 14 14 LEU CA C 11 58.178 58.178 59.097 -0.919 17835 7301 1 18 . 1 1 14 14 LEU CB C 11 42.148 42.148 41.740 0.408 17835 7302 1 18 . 1 1 14 14 LEU H H 11 9.301 9.301 8.789 0.512 17835 7303 1 18 . 1 1 15 15 ARG N N 12 118.150 118.150 119.310 -1.160 17835 7304 1 18 . 1 1 15 15 ARG HA H 12 3.839 3.839 3.867 -0.028 17835 7305 1 18 . 1 1 15 15 ARG C C 12 177.951 177.951 178.397 -0.446 17835 7306 1 18 . 1 1 15 15 ARG CA C 12 60.500 60.500 59.262 1.238 17835 7307 1 18 . 1 1 15 15 ARG CB C 12 29.966 29.966 29.785 0.181 17835 7308 1 18 . 1 1 15 15 ARG H H 12 8.248 8.248 8.454 -0.206 17835 7309 1 18 . 1 1 16 16 ALA N N 13 120.291 120.291 121.982 -1.691 17835 7310 1 18 . 1 1 16 16 ALA HA H 13 4.150 4.150 4.030 0.120 17835 7311 1 18 . 1 1 16 16 ALA C C 13 181.072 181.072 179.621 1.451 17835 7312 1 18 . 1 1 16 16 ALA CA C 13 55.371 55.371 55.050 0.321 17835 7313 1 18 . 1 1 16 16 ALA CB C 13 17.845 17.845 18.496 -0.651 17835 7314 1 18 . 1 1 16 16 ALA H H 13 7.587 7.587 8.105 -0.518 17835 7315 1 18 . 1 1 17 17 VAL N N 14 119.183 119.183 119.062 0.121 17835 7316 1 18 . 1 1 17 17 VAL HA H 14 3.858 3.858 3.281 0.577 17835 7317 1 18 . 1 1 17 17 VAL C C 14 178.531 178.531 177.916 0.615 17835 7318 1 18 . 1 1 17 17 VAL CA C 14 65.552 65.552 66.811 -1.259 17835 7319 1 18 . 1 1 17 17 VAL CB C 14 32.190 32.190 31.600 0.590 17835 7320 1 18 . 1 1 17 17 VAL H H 14 8.324 8.324 8.028 0.296 17835 7321 1 18 . 1 1 18 18 LEU N N 15 120.498 120.498 118.709 1.789 17835 7322 1 18 . 1 1 18 18 LEU HA H 15 3.985 3.985 3.947 0.038 17835 7323 1 18 . 1 1 18 18 LEU C C 15 179.935 179.935 178.951 0.984 17835 7324 1 18 . 1 1 18 18 LEU CA C 15 58.474 58.474 57.658 0.816 17835 7325 1 18 . 1 1 18 18 LEU CB C 15 41.885 41.885 41.499 0.386 17835 7326 1 18 . 1 1 18 18 LEU H H 15 8.388 8.388 8.039 0.349 17835 7327 1 18 . 1 1 19 19 GLN N N 16 117.835 117.835 117.163 0.672 17835 7328 1 18 . 1 1 19 19 GLN HA H 16 3.981 3.981 4.095 -0.114 17835 7329 1 18 . 1 1 19 19 GLN C C 16 177.304 177.304 178.646 -1.342 17835 7330 1 18 . 1 1 19 19 GLN CA C 16 58.668 58.668 58.071 0.597 17835 7331 1 18 . 1 1 19 19 GLN CB C 16 28.274 28.274 28.527 -0.253 17835 7332 1 18 . 1 1 19 19 GLN H H 16 8.689 8.689 8.188 0.501 17835 7333 1 18 . 1 1 20 20 SER N N 17 111.043 111.043 115.213 -4.170 17835 7334 1 18 . 1 1 20 20 SER HA H 17 4.386 4.386 4.339 0.047 17835 7335 1 18 . 1 1 20 20 SER C C 17 173.630 173.630 176.190 -2.560 17835 7336 1 18 . 1 1 20 20 SER CA C 17 59.252 59.252 60.883 -1.631 17835 7337 1 18 . 1 1 20 20 SER CB C 17 63.600 63.600 63.752 -0.152 17835 7338 1 18 . 1 1 20 20 SER H H 17 7.461 7.461 7.927 -0.466 17835 7339 1 18 . 1 1 21 21 HIS N N 18 121.324 121.324 120.167 1.157 17835 7340 1 18 . 1 1 21 21 HIS HA H 18 4.824 4.824 4.847 -0.023 17835 7341 1 18 . 1 1 21 21 HIS C C 18 174.835 174.835 175.084 -0.249 17835 7342 1 18 . 1 1 21 21 HIS CA C 18 54.386 54.386 52.601 1.785 17835 7343 1 18 . 1 1 21 21 HIS CB C 18 28.657 28.657 27.663 0.994 17835 7344 1 18 . 1 1 21 21 HIS H H 18 7.692 7.692 8.048 -0.356 17835 7345 1 18 . 1 1 22 22 LYS N N 19 123.925 123.925 121.623 2.302 17835 7346 1 18 . 1 1 22 22 LYS HA H 19 4.161 4.161 4.195 -0.034 17835 7347 1 18 . 1 1 22 22 LYS C C 19 177.562 177.562 177.962 -0.400 17835 7348 1 18 . 1 1 22 22 LYS CA C 19 59.316 59.316 58.492 0.824 17835 7349 1 18 . 1 1 22 22 LYS CB C 19 32.202 32.202 31.868 0.334 17835 7350 1 18 . 1 1 22 22 LYS H H 19 8.809 8.809 7.778 1.031 17835 7351 1 18 . 1 1 23 23 ASN N N 20 115.473 115.473 116.668 -1.195 17835 7352 1 18 . 1 1 23 23 ASN HA H 20 5.073 5.073 4.716 0.357 17835 7353 1 18 . 1 1 23 23 ASN C C 20 174.783 174.783 175.812 -1.029 17835 7354 1 18 . 1 1 23 23 ASN CA C 20 52.835 52.835 53.381 -0.546 17835 7355 1 18 . 1 1 23 23 ASN CB C 20 38.540 38.540 39.054 -0.514 17835 7356 1 18 . 1 1 23 23 ASN H H 20 8.784 8.784 8.189 0.595 17835 7357 1 18 . 1 1 24 24 GLY N N 21 107.402 107.402 108.503 -1.101 17835 7358 1 18 . 1 1 24 24 GLY C C 21 172.572 172.572 172.828 -0.256 17835 7359 1 18 . 1 1 24 24 GLY CA C 21 44.739 44.739 44.448 0.291 17835 7360 1 18 . 1 1 24 24 GLY H H 21 7.743 7.743 7.892 -0.149 17835 7361 1 18 . 1 1 25 25 ILE N N 22 117.796 117.796 115.801 1.995 17835 7362 1 18 . 1 1 25 25 ILE HA H 22 4.272 4.272 4.650 -0.378 17835 7363 1 18 . 1 1 25 25 ILE C C 22 175.452 175.452 174.953 0.499 17835 7364 1 18 . 1 1 25 25 ILE CA C 22 59.468 59.468 59.244 0.224 17835 7365 1 18 . 1 1 25 25 ILE CB C 22 41.833 41.833 40.686 1.147 17835 7366 1 18 . 1 1 25 25 ILE H H 22 8.509 8.509 7.937 0.572 17835 7367 1 18 . 1 1 26 26 VAL N N 23 124.597 124.597 122.523 2.074 17835 7368 1 18 . 1 1 26 26 VAL HA H 23 4.585 4.585 4.364 0.221 17835 7369 1 18 . 1 1 26 26 VAL C C 23 177.566 177.566 177.541 0.025 17835 7370 1 18 . 1 1 26 26 VAL CA C 23 62.227 62.227 62.164 0.063 17835 7371 1 18 . 1 1 26 26 VAL CB C 23 31.945 31.945 32.166 -0.221 17835 7372 1 18 . 1 1 26 26 VAL H H 23 8.524 8.524 8.385 0.139 17835 7373 1 18 . 1 1 27 27 LEU N N 24 124.858 124.858 121.289 3.569 17835 7374 1 18 . 1 1 27 27 LEU HA H 24 4.011 4.011 4.340 -0.329 17835 7375 1 18 . 1 1 27 27 LEU C C 24 175.569 175.569 176.623 -1.054 17835 7376 1 18 . 1 1 27 27 LEU CA C 24 60.394 60.394 58.739 1.655 17835 7377 1 18 . 1 1 27 27 LEU CB C 24 39.402 39.402 39.057 0.345 17835 7378 1 18 . 1 1 27 27 LEU H H 24 8.816 8.816 8.578 0.238 17835 7379 1 18 . 1 1 28 28 PRO HA H 25 4.401 4.401 4.316 0.085 17835 7380 1 18 . 1 1 28 28 PRO C C 25 177.600 177.600 179.276 -1.676 17835 7381 1 18 . 1 1 28 28 PRO CA C 25 65.549 65.549 65.201 0.348 17835 7382 1 18 . 1 1 28 28 PRO CB C 25 31.458 31.458 31.131 0.327 17835 7383 1 18 . 1 1 29 29 ARG N N 26 115.136 115.136 119.359 -4.223 17835 7384 1 18 . 1 1 29 29 ARG HA H 26 4.511 4.511 4.101 0.410 17835 7385 1 18 . 1 1 29 29 ARG C C 26 177.152 177.152 178.217 -1.065 17835 7386 1 18 . 1 1 29 29 ARG CA C 26 55.853 55.853 59.316 -3.463 17835 7387 1 18 . 1 1 29 29 ARG CB C 26 30.981 30.981 29.882 1.099 17835 7388 1 18 . 1 1 29 29 ARG H H 26 7.869 7.869 7.795 0.074 17835 7389 1 18 . 1 1 30 30 LEU N N 27 122.984 122.984 121.301 1.683 17835 7390 1 18 . 1 1 30 30 LEU HA H 27 3.842 3.842 3.993 -0.151 17835 7391 1 18 . 1 1 30 30 LEU C C 27 177.872 177.872 178.564 -0.692 17835 7392 1 18 . 1 1 30 30 LEU CA C 27 59.458 59.458 58.646 0.812 17835 7393 1 18 . 1 1 30 30 LEU CB C 27 42.326 42.326 41.428 0.898 17835 7394 1 18 . 1 1 30 30 LEU H H 27 7.870 7.870 8.593 -0.723 17835 7395 1 18 . 1 1 31 31 GLN N N 28 117.382 117.382 118.121 -0.739 17835 7396 1 18 . 1 1 31 31 GLN HA H 28 4.689 4.689 4.011 0.678 17835 7397 1 18 . 1 1 31 31 GLN C C 28 178.888 178.888 179.036 -0.148 17835 7398 1 18 . 1 1 31 31 GLN CA C 28 60.243 60.243 59.273 0.970 17835 7399 1 18 . 1 1 31 31 GLN CB C 28 27.811 27.811 28.580 -0.769 17835 7400 1 18 . 1 1 31 31 GLN H H 28 9.217 9.217 7.888 1.329 17835 7401 1 18 . 1 1 32 32 GLY N N 29 105.066 105.066 108.431 -3.365 17835 7402 1 18 . 1 1 32 32 GLY C C 29 177.579 177.579 176.500 1.079 17835 7403 1 18 . 1 1 32 32 GLY CA C 29 47.254 47.254 47.413 -0.159 17835 7404 1 18 . 1 1 32 32 GLY H H 29 8.680 8.680 8.517 0.163 17835 7405 1 18 . 1 1 33 33 GLU N N 30 121.593 121.593 122.824 -1.231 17835 7406 1 18 . 1 1 33 33 GLU HA H 30 4.274 4.274 4.228 0.046 17835 7407 1 18 . 1 1 33 33 GLU C C 30 179.316 179.316 178.909 0.407 17835 7408 1 18 . 1 1 33 33 GLU CA C 30 59.068 59.068 58.425 0.643 17835 7409 1 18 . 1 1 33 33 GLU CB C 30 29.077 29.077 29.337 -0.260 17835 7410 1 18 . 1 1 33 33 GLU H H 30 8.063 8.063 8.442 -0.379 17835 7411 1 18 . 1 1 34 34 TYR N N 31 123.143 123.143 122.412 0.731 17835 7412 1 18 . 1 1 34 34 TYR HA H 31 4.083 4.083 4.061 0.022 17835 7413 1 18 . 1 1 34 34 TYR C C 31 178.379 178.379 177.224 1.155 17835 7414 1 18 . 1 1 34 34 TYR CA C 31 62.406 62.406 61.635 0.771 17835 7415 1 18 . 1 1 34 34 TYR CB C 31 39.405 39.405 38.463 0.942 17835 7416 1 18 . 1 1 34 34 TYR H H 31 9.063 9.063 8.672 0.391 17835 7417 1 18 . 1 1 35 35 ARG N N 32 123.458 123.458 119.479 3.979 17835 7418 1 18 . 1 1 35 35 ARG HA H 32 4.281 4.281 3.927 0.354 17835 7419 1 18 . 1 1 35 35 ARG C C 32 180.186 180.186 179.027 1.159 17835 7420 1 18 . 1 1 35 35 ARG CA C 32 58.908 58.908 58.664 0.244 17835 7421 1 18 . 1 1 35 35 ARG CB C 32 29.708 29.708 29.306 0.402 17835 7422 1 18 . 1 1 35 35 ARG H H 32 9.321 9.321 8.589 0.732 17835 7423 1 18 . 1 1 36 36 SER N N 33 116.071 116.071 115.720 0.351 17835 7424 1 18 . 1 1 36 36 SER HA H 33 4.048 4.048 4.106 -0.058 17835 7425 1 18 . 1 1 36 36 SER C C 33 175.063 175.063 175.680 -0.617 17835 7426 1 18 . 1 1 36 36 SER CA C 33 61.856 61.856 60.991 0.865 17835 7427 1 18 . 1 1 36 36 SER CB C 33 62.779 62.779 62.993 -0.214 17835 7428 1 18 . 1 1 36 36 SER H H 33 8.078 8.078 7.902 0.176 17835 7429 1 18 . 1 1 37 37 LEU N N 34 118.571 118.571 122.181 -3.610 17835 7430 1 18 . 1 1 37 37 LEU HA H 34 4.342 4.342 4.186 0.156 17835 7431 1 18 . 1 1 37 37 LEU C C 34 178.400 178.400 178.163 0.237 17835 7432 1 18 . 1 1 37 37 LEU CA C 34 57.073 57.073 57.163 -0.090 17835 7433 1 18 . 1 1 37 37 LEU CB C 34 43.132 43.132 42.368 0.764 17835 7434 1 18 . 1 1 37 37 LEU H H 34 7.167 7.167 7.526 -0.359 17835 7435 1 18 . 1 1 38 38 THR N N 35 106.425 106.425 109.339 -2.914 17835 7436 1 18 . 1 1 38 38 THR HA H 35 4.163 4.163 4.065 0.098 17835 7437 1 18 . 1 1 38 38 THR C C 35 176.259 176.259 175.728 0.531 17835 7438 1 18 . 1 1 38 38 THR CA C 35 62.637 62.637 62.575 0.062 17835 7439 1 18 . 1 1 38 38 THR CB C 35 71.659 71.659 69.272 2.387 17835 7440 1 18 . 1 1 38 38 THR H H 35 8.168 8.168 7.865 0.303 17835 7441 1 18 . 1 1 39 39 GLY N N 36 112.162 112.162 109.463 2.699 17835 7442 1 18 . 1 1 39 39 GLY C C 36 172.464 172.464 173.242 -0.778 17835 7443 1 18 . 1 1 39 39 GLY CA C 36 45.225 45.225 45.003 0.222 17835 7444 1 18 . 1 1 39 39 GLY H H 36 8.759 8.759 7.694 1.065 17835 7445 1 18 . 1 1 40 40 ASP N N 37 121.106 121.106 118.964 2.142 17835 7446 1 18 . 1 1 40 40 ASP HA H 37 4.733 4.733 4.718 0.015 17835 7447 1 18 . 1 1 40 40 ASP C C 37 173.861 173.861 173.801 0.060 17835 7448 1 18 . 1 1 40 40 ASP CA C 37 52.159 52.159 52.188 -0.029 17835 7449 1 18 . 1 1 40 40 ASP CB C 37 44.573 44.573 43.130 1.443 17835 7450 1 18 . 1 1 40 40 ASP H H 37 8.414 8.414 7.532 0.882 17835 7451 1 18 . 1 1 41 41 TRP N N 38 115.206 115.206 119.412 -4.206 17835 7452 1 18 . 1 1 41 41 TRP HA H 38 5.107 5.107 5.011 0.096 17835 7453 1 18 . 1 1 41 41 TRP C C 38 177.125 177.125 177.168 -0.043 17835 7454 1 18 . 1 1 41 41 TRP CA C 38 54.889 54.889 55.876 -0.987 17835 7455 1 18 . 1 1 41 41 TRP CB C 38 31.592 31.592 30.726 0.866 17835 7456 1 18 . 1 1 41 41 TRP H H 38 8.016 8.016 8.252 -0.236 17835 7457 1 18 . 1 1 42 42 ILE N N 39 123.723 123.723 123.094 0.629 17835 7458 1 18 . 1 1 42 42 ILE HA H 39 3.512 3.512 3.639 -0.127 17835 7459 1 18 . 1 1 42 42 ILE C C 39 177.199 177.199 176.047 1.152 17835 7460 1 18 . 1 1 42 42 ILE CA C 39 60.467 60.467 60.998 -0.531 17835 7461 1 18 . 1 1 42 42 ILE CB C 39 38.133 38.133 38.134 -0.001 17835 7462 1 18 . 1 1 42 42 ILE H H 39 10.079 10.079 8.703 1.376 17835 7463 1 18 . 1 1 43 43 PRO HA H 40 4.600 4.600 4.725 -0.125 17835 7464 1 18 . 1 1 43 43 PRO C C 40 174.997 174.997 176.737 -1.740 17835 7465 1 18 . 1 1 43 43 PRO CA C 40 62.511 62.511 62.382 0.129 17835 7466 1 18 . 1 1 43 43 PRO CB C 40 27.857 27.857 29.471 -1.614 17835 7467 1 18 . 1 1 44 44 PHE N N 41 118.808 118.808 119.911 -1.103 17835 7468 1 18 . 1 1 44 44 PHE HA H 41 3.737 3.737 4.171 -0.434 17835 7469 1 18 . 1 1 44 44 PHE C C 41 175.891 175.891 176.915 -1.024 17835 7470 1 18 . 1 1 44 44 PHE CA C 41 60.911 60.911 62.026 -1.115 17835 7471 1 18 . 1 1 44 44 PHE CB C 41 38.412 38.412 37.541 0.871 17835 7472 1 18 . 1 1 44 44 PHE H H 41 7.647 7.647 7.919 -0.272 17835 7473 1 18 . 1 1 45 45 LYS N N 42 123.543 123.543 119.272 4.271 17835 7474 1 18 . 1 1 45 45 LYS HA H 42 4.763 4.763 4.225 0.538 17835 7475 1 18 . 1 1 45 45 LYS C C 42 181.828 181.828 178.707 3.121 17835 7476 1 18 . 1 1 45 45 LYS CA C 42 58.959 58.959 57.801 1.158 17835 7477 1 18 . 1 1 45 45 LYS CB C 42 31.599 31.599 31.273 0.326 17835 7478 1 18 . 1 1 45 45 LYS H H 42 7.387 7.387 7.331 0.056 17835 7479 1 18 . 1 1 46 46 GLN N N 43 123.171 123.171 118.355 4.816 17835 7480 1 18 . 1 1 46 46 GLN HA H 43 3.896 3.896 4.009 -0.113 17835 7481 1 18 . 1 1 46 46 GLN C C 43 178.167 178.167 177.922 0.245 17835 7482 1 18 . 1 1 46 46 GLN CA C 43 59.066 59.066 58.541 0.525 17835 7483 1 18 . 1 1 46 46 GLN CB C 43 27.702 27.702 28.118 -0.416 17835 7484 1 18 . 1 1 46 46 GLN H H 43 8.567 8.567 7.894 0.673 17835 7485 1 18 . 1 1 47 47 LEU N N 44 116.472 116.472 118.530 -2.058 17835 7486 1 18 . 1 1 47 47 LEU HA H 44 4.255 4.255 4.160 0.095 17835 7487 1 18 . 1 1 47 47 LEU C C 44 176.103 176.103 178.131 -2.028 17835 7488 1 18 . 1 1 47 47 LEU CA C 44 55.308 55.308 56.156 -0.848 17835 7489 1 18 . 1 1 47 47 LEU CB C 44 41.374 41.374 42.825 -1.451 17835 7490 1 18 . 1 1 47 47 LEU H H 44 7.544 7.544 8.226 -0.682 17835 7491 1 18 . 1 1 48 48 GLY N N 45 104.932 104.932 103.598 1.334 17835 7492 1 18 . 1 1 48 48 GLY C C 45 173.844 173.844 174.400 -0.556 17835 7493 1 18 . 1 1 48 48 GLY CA C 45 44.826 44.826 44.392 0.434 17835 7494 1 18 . 1 1 48 48 GLY H H 45 7.741 7.741 7.892 -0.151 17835 7495 1 18 . 1 1 49 49 TYR N N 46 119.946 119.946 121.043 -1.097 17835 7496 1 18 . 1 1 49 49 TYR HA H 46 4.839 4.839 4.861 -0.022 17835 7497 1 18 . 1 1 49 49 TYR C C 46 174.575 174.575 174.955 -0.380 17835 7498 1 18 . 1 1 49 49 TYR CA C 46 56.349 56.349 56.027 0.322 17835 7499 1 18 . 1 1 49 49 TYR CB C 46 41.464 41.464 38.418 3.046 17835 7500 1 18 . 1 1 49 49 TYR H H 46 8.332 8.332 7.991 0.341 17835 7501 1 18 . 1 1 50 50 PRO HA H 47 4.556 4.556 4.469 0.087 17835 7502 1 18 . 1 1 50 50 PRO C C 47 177.125 177.125 176.760 0.365 17835 7503 1 18 . 1 1 50 50 PRO CA C 47 64.115 64.115 64.713 -0.598 17835 7504 1 18 . 1 1 50 50 PRO CB C 47 32.152 32.152 31.884 0.268 17835 7505 1 18 . 1 1 51 51 THR N N 48 105.643 105.643 108.048 -2.405 17835 7506 1 18 . 1 1 51 51 THR HA H 48 4.129 4.129 4.386 -0.257 17835 7507 1 18 . 1 1 51 51 THR C C 48 173.270 173.270 174.935 -1.665 17835 7508 1 18 . 1 1 51 51 THR CA C 48 58.738 58.738 59.758 -1.020 17835 7509 1 18 . 1 1 51 51 THR CB C 48 73.254 73.254 71.906 1.348 17835 7510 1 18 . 1 1 51 51 THR H H 48 6.939 6.939 7.628 -0.689 17835 7511 1 18 . 1 1 52 52 LEU N N 49 121.743 121.743 122.234 -0.491 17835 7512 1 18 . 1 1 52 52 LEU HA H 49 3.325 3.325 3.884 -0.559 17835 7513 1 18 . 1 1 52 52 LEU C C 49 178.195 178.195 178.673 -0.478 17835 7514 1 18 . 1 1 52 52 LEU CA C 49 57.551 57.551 57.920 -0.369 17835 7515 1 18 . 1 1 52 52 LEU CB C 49 40.517 40.517 40.921 -0.404 17835 7516 1 18 . 1 1 52 52 LEU H H 49 7.849 7.849 8.337 -0.488 17835 7517 1 18 . 1 1 53 53 GLU N N 50 118.706 118.706 119.126 -0.420 17835 7518 1 18 . 1 1 53 53 GLU HA H 50 3.411 3.411 3.885 -0.474 17835 7519 1 18 . 1 1 53 53 GLU C C 50 176.853 176.853 178.476 -1.623 17835 7520 1 18 . 1 1 53 53 GLU CA C 50 60.720 60.720 59.447 1.272 17835 7521 1 18 . 1 1 53 53 GLU CB C 50 28.696 28.696 28.744 -0.048 17835 7522 1 18 . 1 1 53 53 GLU H H 50 8.981 8.981 8.758 0.223 17835 7523 1 18 . 1 1 54 54 ALA N N 51 119.673 119.673 122.669 -2.996 17835 7524 1 18 . 1 1 54 54 ALA HA H 51 3.885 3.885 4.027 -0.142 17835 7525 1 18 . 1 1 54 54 ALA C C 51 180.232 180.232 179.439 0.793 17835 7526 1 18 . 1 1 54 54 ALA CA C 51 55.127 55.127 55.038 0.089 17835 7527 1 18 . 1 1 54 54 ALA CB C 51 18.345 18.345 18.483 -0.138 17835 7528 1 18 . 1 1 54 54 ALA H H 51 8.001 8.001 7.708 0.293 17835 7529 1 18 . 1 1 55 55 TYR N N 52 117.474 117.474 120.393 -2.919 17835 7530 1 18 . 1 1 55 55 TYR HA H 52 2.898 2.898 3.288 -0.390 17835 7531 1 18 . 1 1 55 55 TYR C C 52 178.563 178.563 177.551 1.012 17835 7532 1 18 . 1 1 55 55 TYR CA C 52 59.876 59.876 61.191 -1.315 17835 7533 1 18 . 1 1 55 55 TYR CB C 52 37.365 37.365 38.224 -0.858 17835 7534 1 18 . 1 1 55 55 TYR H H 52 7.218 7.218 8.097 -0.879 17835 7535 1 18 . 1 1 56 56 LEU N N 53 121.106 121.106 118.213 2.893 17835 7536 1 18 . 1 1 56 56 LEU HA H 53 3.221 3.221 3.613 -0.392 17835 7537 1 18 . 1 1 56 56 LEU C C 53 179.706 179.706 179.247 0.459 17835 7538 1 18 . 1 1 56 56 LEU CA C 53 57.334 57.334 57.502 -0.168 17835 7539 1 18 . 1 1 56 56 LEU CB C 53 40.788 40.788 41.574 -0.786 17835 7540 1 18 . 1 1 56 56 LEU H H 53 8.440 8.440 8.192 0.248 17835 7541 1 18 . 1 1 57 57 ARG N N 54 116.303 116.303 120.001 -3.698 17835 7542 1 18 . 1 1 57 57 ARG HA H 54 3.722 3.722 4.003 -0.281 17835 7543 1 18 . 1 1 57 57 ARG C C 54 176.071 176.071 177.775 -1.704 17835 7544 1 18 . 1 1 57 57 ARG CA C 54 58.463 58.463 58.654 -0.191 17835 7545 1 18 . 1 1 57 57 ARG CB C 54 29.735 29.735 29.914 -0.179 17835 7546 1 18 . 1 1 57 57 ARG H H 54 7.998 7.998 8.603 -0.605 17835 7547 1 18 . 1 1 58 58 SER N N 55 115.365 115.365 112.940 2.425 17835 7548 1 18 . 1 1 58 58 SER HA H 55 4.357 4.357 4.372 -0.015 17835 7549 1 18 . 1 1 58 58 SER C C 55 173.970 173.970 173.960 0.010 17835 7550 1 18 . 1 1 58 58 SER CA C 55 59.762 59.762 59.998 -0.236 17835 7551 1 18 . 1 1 58 58 SER CB C 55 63.886 63.886 63.412 0.474 17835 7552 1 18 . 1 1 58 58 SER H H 55 7.491 7.491 7.548 -0.057 17835 7553 1 18 . 1 1 59 59 VAL N N 56 113.059 113.059 120.326 -7.267 17835 7554 1 18 . 1 1 59 59 VAL HA H 56 5.090 5.090 4.507 0.583 17835 7555 1 18 . 1 1 59 59 VAL C C 56 174.276 174.276 173.787 0.489 17835 7556 1 18 . 1 1 59 59 VAL CA C 56 58.444 58.444 58.694 -0.250 17835 7557 1 18 . 1 1 59 59 VAL CB C 56 31.559 31.559 32.869 -1.310 17835 7558 1 18 . 1 1 59 59 VAL H H 56 6.729 6.729 7.067 -0.338 17835 7559 1 18 . 1 1 60 60 PRO HA H 57 4.902 4.902 4.702 0.200 17835 7560 1 18 . 1 1 60 60 PRO C C 57 177.563 177.563 177.222 0.341 17835 7561 1 18 . 1 1 60 60 PRO CA C 57 64.541 64.541 64.540 0.001 17835 7562 1 18 . 1 1 60 60 PRO CB C 57 31.768 31.768 31.779 -0.011 17835 7563 1 18 . 1 1 61 61 ALA N N 58 120.004 120.004 119.642 0.362 17835 7564 1 18 . 1 1 61 61 ALA HA H 58 4.327 4.327 4.253 0.074 17835 7565 1 18 . 1 1 61 61 ALA C C 58 177.191 177.191 177.668 -0.477 17835 7566 1 18 . 1 1 61 61 ALA CA C 58 52.795 52.795 53.585 -0.790 17835 7567 1 18 . 1 1 61 61 ALA CB C 58 18.427 18.427 19.222 -0.795 17835 7568 1 18 . 1 1 61 61 ALA H H 58 8.397 8.397 8.161 0.236 17835 7569 1 18 . 1 1 62 62 VAL N N 59 116.635 116.635 113.726 2.909 17835 7570 1 18 . 1 1 62 62 VAL HA H 59 4.032 4.032 4.312 -0.280 17835 7571 1 18 . 1 1 62 62 VAL C C 59 174.238 174.238 174.699 -0.461 17835 7572 1 18 . 1 1 62 62 VAL CA C 59 63.741 63.741 63.198 0.543 17835 7573 1 18 . 1 1 62 62 VAL CB C 59 34.115 34.115 34.909 -0.794 17835 7574 1 18 . 1 1 62 62 VAL H H 59 8.080 8.080 7.640 0.440 17835 7575 1 18 . 1 1 63 63 VAL N N 60 117.153 117.153 118.646 -1.493 17835 7576 1 18 . 1 1 63 63 VAL HA H 60 4.911 4.911 4.622 0.289 17835 7577 1 18 . 1 1 63 63 VAL C C 60 172.258 172.258 173.620 -1.362 17835 7578 1 18 . 1 1 63 63 VAL CA C 60 59.006 59.006 60.931 -1.925 17835 7579 1 18 . 1 1 63 63 VAL CB C 60 35.461 35.461 36.592 -1.131 17835 7580 1 18 . 1 1 63 63 VAL H H 60 7.791 7.791 8.133 -0.342 17835 7581 1 18 . 1 1 64 64 ARG N N 61 129.658 129.658 121.636 8.022 17835 7582 1 18 . 1 1 64 64 ARG HA H 61 4.727 4.727 4.701 0.026 17835 7583 1 18 . 1 1 64 64 ARG C C 61 174.437 174.437 173.596 0.841 17835 7584 1 18 . 1 1 64 64 ARG CA C 61 54.117 54.117 55.519 -1.401 17835 7585 1 18 . 1 1 64 64 ARG CB C 61 32.754 32.754 34.197 -1.443 17835 7586 1 18 . 1 1 64 64 ARG H H 61 9.208 9.208 8.992 0.216 17835 7587 1 18 . 1 1 65 65 ILE N N 62 125.775 125.775 117.780 7.995 17835 7588 1 18 . 1 1 65 65 ILE HA H 62 4.917 4.917 5.351 -0.434 17835 7589 1 18 . 1 1 65 65 ILE C C 62 175.842 175.842 174.625 1.217 17835 7590 1 18 . 1 1 65 65 ILE CA C 62 59.545 59.545 59.781 -0.236 17835 7591 1 18 . 1 1 65 65 ILE CB C 62 39.645 39.645 42.362 -2.717 17835 7592 1 18 . 1 1 65 65 ILE H H 62 8.736 8.736 8.309 0.427 17835 7593 1 18 . 1 1 66 66 GLU N N 63 127.114 127.114 122.926 4.188 17835 7594 1 18 . 1 1 66 66 GLU HA H 63 4.677 4.677 4.742 -0.065 17835 7595 1 18 . 1 1 66 66 GLU C C 63 174.409 174.409 175.264 -0.855 17835 7596 1 18 . 1 1 66 66 GLU CA C 63 54.791 54.791 54.858 -0.067 17835 7597 1 18 . 1 1 66 66 GLU CB C 63 33.078 33.078 31.829 1.249 17835 7598 1 18 . 1 1 66 66 GLU H H 63 9.197 9.197 9.105 0.092 17835 7599 1 18 . 1 1 67 67 ALA N N 64 127.913 127.913 129.742 -1.829 17835 7600 1 18 . 1 1 67 67 ALA HA H 64 5.026 5.026 4.640 0.386 17835 7601 1 18 . 1 1 67 67 ALA C C 64 177.717 177.717 177.188 0.529 17835 7602 1 18 . 1 1 67 67 ALA CA C 64 51.070 51.070 51.681 -0.611 17835 7603 1 18 . 1 1 67 67 ALA CB C 64 19.550 19.550 19.180 0.370 17835 7604 1 18 . 1 1 67 67 ALA H H 64 8.779 8.779 8.606 0.173 17835 7605 1 18 . 1 1 68 68 SER N N 65 119.364 119.364 119.777 -0.413 17835 7606 1 18 . 1 1 68 68 SER HA H 65 4.665 4.665 4.449 0.216 17835 7607 1 18 . 1 1 68 68 SER C C 65 176.518 176.518 176.641 -0.123 17835 7608 1 18 . 1 1 68 68 SER CA C 65 57.096 57.096 56.972 0.124 17835 7609 1 18 . 1 1 68 68 SER CB C 65 65.234 65.234 64.309 0.925 17835 7610 1 18 . 1 1 68 68 SER H H 65 8.951 8.951 8.472 0.479 17835 7611 1 18 . 1 1 69 69 ARG N N 66 123.143 123.143 127.176 -4.033 17835 7612 1 18 . 1 1 69 69 ARG HA H 66 4.153 4.153 4.182 -0.029 17835 7613 1 18 . 1 1 69 69 ARG C C 66 177.356 177.356 176.527 0.829 17835 7614 1 18 . 1 1 69 69 ARG CA C 66 58.973 58.973 58.294 0.679 17835 7615 1 18 . 1 1 69 69 ARG CB C 66 29.659 29.659 28.927 0.733 17835 7616 1 18 . 1 1 69 69 ARG H H 66 9.075 9.075 8.958 0.117 17835 7617 1 18 . 1 1 70 70 SER N N 67 112.081 112.081 114.747 -2.666 17835 7618 1 18 . 1 1 70 70 SER HA H 67 4.416 4.416 4.404 0.012 17835 7619 1 18 . 1 1 70 70 SER C C 67 175.146 175.146 175.344 -0.198 17835 7620 1 18 . 1 1 70 70 SER CA C 67 58.413 58.413 58.511 -0.098 17835 7621 1 18 . 1 1 70 70 SER CB C 67 63.477 63.477 63.811 -0.334 17835 7622 1 18 . 1 1 70 70 SER H H 67 8.083 8.083 7.737 0.346 17835 7623 1 18 . 1 1 71 71 GLY N N 68 110.519 110.519 108.709 1.810 17835 7624 1 18 . 1 1 71 71 GLY C C 68 174.116 174.116 174.178 -0.062 17835 7625 1 18 . 1 1 71 71 GLY CA C 68 45.114 45.114 45.088 0.026 17835 7626 1 18 . 1 1 71 71 GLY H H 68 7.974 7.974 7.920 0.054 17835 7627 1 18 . 1 1 72 72 GLU N N 69 120.663 120.663 121.325 -0.662 17835 7628 1 18 . 1 1 72 72 GLU HA H 69 4.289 4.289 4.504 -0.215 17835 7629 1 18 . 1 1 72 72 GLU C C 69 175.352 175.352 175.506 -0.154 17835 7630 1 18 . 1 1 72 72 GLU CA C 69 56.082 56.082 55.441 0.641 17835 7631 1 18 . 1 1 72 72 GLU CB C 69 30.517 30.517 30.831 -0.314 17835 7632 1 18 . 1 1 72 72 GLU H H 69 7.630 7.630 8.162 -0.532 17835 7633 1 18 . 1 1 73 73 ILE N N 70 125.775 125.775 120.918 4.857 17835 7634 1 18 . 1 1 73 73 ILE HA H 70 4.367 4.367 4.864 -0.497 17835 7635 1 18 . 1 1 73 73 ILE C C 70 174.613 174.613 173.741 0.872 17835 7636 1 18 . 1 1 73 73 ILE CA C 70 60.876 60.876 59.391 1.485 17835 7637 1 18 . 1 1 73 73 ILE CB C 70 37.465 37.465 41.565 -4.100 17835 7638 1 18 . 1 1 73 73 ILE H H 70 8.753 8.753 8.245 0.508 17835 7639 1 18 . 1 1 74 74 VAL N N 71 128.300 128.300 127.844 0.456 17835 7640 1 18 . 1 1 74 74 VAL HA H 71 4.153 4.153 4.437 -0.284 17835 7641 1 18 . 1 1 74 74 VAL C C 71 173.544 173.544 174.712 -1.168 17835 7642 1 18 . 1 1 74 74 VAL CA C 71 61.736 61.736 59.961 1.775 17835 7643 1 18 . 1 1 74 74 VAL CB C 71 33.763 33.763 33.126 0.637 17835 7644 1 18 . 1 1 74 74 VAL H H 71 8.724 8.724 8.793 -0.069 17835 7645 1 18 . 1 1 75 75 CYS N N 72 122.823 122.823 125.121 -2.298 17835 7646 1 18 . 1 1 75 75 CYS HA H 72 4.948 4.948 4.982 -0.034 17835 7647 1 18 . 1 1 75 75 CYS C C 72 173.200 173.200 173.762 -0.562 17835 7648 1 18 . 1 1 75 75 CYS CA C 72 57.176 57.176 57.706 -0.530 17835 7649 1 18 . 1 1 75 75 CYS CB C 72 29.712 29.712 30.042 -0.330 17835 7650 1 18 . 1 1 75 75 CYS H H 72 8.200 8.200 8.720 -0.520 17835 7651 1 18 . 1 1 76 76 TYR N N 73 119.584 119.584 119.375 0.209 17835 7652 1 18 . 1 1 76 76 TYR HA H 73 5.013 5.013 4.776 0.237 17835 7653 1 18 . 1 1 76 76 TYR C C 73 175.779 175.779 174.877 0.902 17835 7654 1 18 . 1 1 76 76 TYR CA C 73 56.289 56.289 57.059 -0.770 17835 7655 1 18 . 1 1 76 76 TYR CB C 73 42.505 42.505 43.117 -0.612 17835 7656 1 18 . 1 1 76 76 TYR H H 73 9.265 9.265 9.282 -0.017 17835 7657 1 18 . 1 1 77 77 ALA N N 74 122.844 122.844 121.926 0.918 17835 7658 1 18 . 1 1 77 77 ALA HA H 74 4.423 4.423 4.670 -0.247 17835 7659 1 18 . 1 1 77 77 ALA C C 74 177.907 177.907 175.602 2.305 17835 7660 1 18 . 1 1 77 77 ALA CA C 74 52.151 52.151 51.108 1.043 17835 7661 1 18 . 1 1 77 77 ALA CB C 74 18.915 18.915 21.090 -2.175 17835 7662 1 18 . 1 1 77 77 ALA H H 74 9.145 9.145 8.942 0.203 17835 7663 1 18 . 1 1 78 78 VAL N N 75 123.434 123.434 117.130 6.304 17835 7664 1 18 . 1 1 78 78 VAL HA H 75 3.826 3.826 4.297 -0.471 17835 7665 1 18 . 1 1 78 78 VAL C C 75 174.995 174.995 174.815 0.180 17835 7666 1 18 . 1 1 78 78 VAL CA C 75 63.379 63.379 62.410 0.969 17835 7667 1 18 . 1 1 78 78 VAL CB C 75 32.715 32.715 34.677 -1.962 17835 7668 1 18 . 1 1 78 78 VAL H H 75 7.894 7.894 8.508 -0.614 17835 7669 1 19 . 1 1 5 5 LEU N N 2 124.907 124.907 122.488 2.419 17835 7670 1 19 . 1 1 5 5 LEU HA H 2 4.299 4.299 4.487 -0.188 17835 7671 1 19 . 1 1 5 5 LEU C C 2 177.892 177.892 178.184 -0.292 17835 7672 1 19 . 1 1 5 5 LEU CA C 2 55.749 55.749 54.581 1.168 17835 7673 1 19 . 1 1 5 5 LEU CB C 2 42.001 42.001 42.352 -0.351 17835 7674 1 19 . 1 1 5 5 LEU H H 2 8.636 8.636 8.538 0.098 17835 7675 1 19 . 1 1 6 6 GLU N N 3 122.649 122.649 123.218 -0.569 17835 7676 1 19 . 1 1 6 6 GLU HA H 3 4.172 4.172 3.978 0.194 17835 7677 1 19 . 1 1 6 6 GLU C C 3 177.481 177.481 178.431 -0.950 17835 7678 1 19 . 1 1 6 6 GLU CA C 3 58.106 58.106 59.998 -1.892 17835 7679 1 19 . 1 1 6 6 GLU CB C 3 28.874 28.874 29.959 -1.085 17835 7680 1 19 . 1 1 6 6 GLU H H 3 8.594 8.594 9.061 -0.467 17835 7681 1 19 . 1 1 7 7 ALA N N 4 121.929 121.929 121.413 0.516 17835 7682 1 19 . 1 1 7 7 ALA HA H 4 3.944 3.944 4.205 -0.261 17835 7683 1 19 . 1 1 7 7 ALA C C 4 180.419 180.419 179.419 1.000 17835 7684 1 19 . 1 1 7 7 ALA CA C 4 55.686 55.686 55.115 0.571 17835 7685 1 19 . 1 1 7 7 ALA CB C 4 18.587 18.587 18.038 0.549 17835 7686 1 19 . 1 1 7 7 ALA H H 4 8.744 8.744 8.349 0.395 17835 7687 1 19 . 1 1 8 8 ASP N N 5 117.514 117.514 119.621 -2.107 17835 7688 1 19 . 1 1 8 8 ASP HA H 5 4.482 4.482 4.537 -0.055 17835 7689 1 19 . 1 1 8 8 ASP C C 5 178.010 178.010 178.220 -0.210 17835 7690 1 19 . 1 1 8 8 ASP CA C 5 56.603 56.603 56.692 -0.089 17835 7691 1 19 . 1 1 8 8 ASP CB C 5 40.353 40.353 40.734 -0.381 17835 7692 1 19 . 1 1 8 8 ASP H H 5 8.071 8.071 8.269 -0.198 17835 7693 1 19 . 1 1 9 9 LEU N N 6 122.640 122.640 121.742 0.898 17835 7694 1 19 . 1 1 9 9 LEU HA H 6 4.165 4.165 4.087 0.078 17835 7695 1 19 . 1 1 9 9 LEU C C 6 178.699 178.699 178.772 -0.073 17835 7696 1 19 . 1 1 9 9 LEU CA C 6 57.986 57.986 58.000 -0.014 17835 7697 1 19 . 1 1 9 9 LEU CB C 6 41.675 41.675 42.253 -0.578 17835 7698 1 19 . 1 1 9 9 LEU H H 6 7.713 7.713 8.426 -0.713 17835 7699 1 19 . 1 1 10 10 VAL N N 7 119.303 119.303 114.882 4.421 17835 7700 1 19 . 1 1 10 10 VAL HA H 7 4.025 4.025 3.709 0.316 17835 7701 1 19 . 1 1 10 10 VAL C C 7 178.570 178.570 177.952 0.618 17835 7702 1 19 . 1 1 10 10 VAL CA C 7 65.683 65.683 66.849 -1.166 17835 7703 1 19 . 1 1 10 10 VAL CB C 7 31.841 31.841 31.439 0.402 17835 7704 1 19 . 1 1 10 10 VAL H H 7 8.115 8.115 8.230 -0.115 17835 7705 1 19 . 1 1 11 11 SER N N 8 113.146 113.146 118.508 -5.362 17835 7706 1 19 . 1 1 11 11 SER HA H 8 4.042 4.042 4.323 -0.281 17835 7707 1 19 . 1 1 11 11 SER C C 8 176.364 176.364 176.857 -0.493 17835 7708 1 19 . 1 1 11 11 SER CA C 8 62.600 62.600 61.876 0.724 17835 7709 1 19 . 1 1 11 11 SER CB C 8 61.596 61.596 63.292 -1.696 17835 7710 1 19 . 1 1 11 11 SER H H 8 7.796 7.796 8.269 -0.473 17835 7711 1 19 . 1 1 12 12 LYS N N 9 121.690 121.690 121.985 -0.295 17835 7712 1 19 . 1 1 12 12 LYS HA H 9 4.044 4.044 4.023 0.021 17835 7713 1 19 . 1 1 12 12 LYS C C 9 180.048 180.048 178.869 1.179 17835 7714 1 19 . 1 1 12 12 LYS CA C 9 60.002 60.002 59.681 0.321 17835 7715 1 19 . 1 1 12 12 LYS CB C 9 32.839 32.839 32.457 0.382 17835 7716 1 19 . 1 1 12 12 LYS H H 9 7.754 7.754 8.406 -0.652 17835 7717 1 19 . 1 1 13 13 MET N N 10 119.794 119.794 119.009 0.785 17835 7718 1 19 . 1 1 13 13 MET HA H 10 4.420 4.420 4.127 0.293 17835 7719 1 19 . 1 1 13 13 MET C C 10 178.151 178.151 178.341 -0.190 17835 7720 1 19 . 1 1 13 13 MET CA C 10 57.095 57.095 59.127 -2.032 17835 7721 1 19 . 1 1 13 13 MET CB C 10 31.599 31.599 32.685 -1.086 17835 7722 1 19 . 1 1 13 13 MET H H 10 8.451 8.451 8.315 0.136 17835 7723 1 19 . 1 1 14 14 LEU N N 11 122.035 122.035 122.117 -0.082 17835 7724 1 19 . 1 1 14 14 LEU HA H 11 4.207 4.207 4.126 0.081 17835 7725 1 19 . 1 1 14 14 LEU C C 11 178.526 178.526 177.970 0.556 17835 7726 1 19 . 1 1 14 14 LEU CA C 11 58.178 58.178 59.191 -1.014 17835 7727 1 19 . 1 1 14 14 LEU CB C 11 42.148 42.148 41.813 0.335 17835 7728 1 19 . 1 1 14 14 LEU H H 11 9.301 9.301 8.775 0.526 17835 7729 1 19 . 1 1 15 15 ARG N N 12 118.150 118.150 119.323 -1.173 17835 7730 1 19 . 1 1 15 15 ARG HA H 12 3.839 3.839 3.876 -0.037 17835 7731 1 19 . 1 1 15 15 ARG C C 12 177.951 177.951 178.395 -0.444 17835 7732 1 19 . 1 1 15 15 ARG CA C 12 60.500 60.500 59.267 1.233 17835 7733 1 19 . 1 1 15 15 ARG CB C 12 29.966 29.966 29.793 0.173 17835 7734 1 19 . 1 1 15 15 ARG H H 12 8.248 8.248 8.478 -0.230 17835 7735 1 19 . 1 1 16 16 ALA N N 13 120.291 120.291 121.895 -1.604 17835 7736 1 19 . 1 1 16 16 ALA HA H 13 4.150 4.150 4.039 0.111 17835 7737 1 19 . 1 1 16 16 ALA C C 13 181.072 181.072 179.606 1.466 17835 7738 1 19 . 1 1 16 16 ALA CA C 13 55.371 55.371 55.056 0.315 17835 7739 1 19 . 1 1 16 16 ALA CB C 13 17.845 17.845 18.438 -0.593 17835 7740 1 19 . 1 1 16 16 ALA H H 13 7.587 7.587 8.206 -0.619 17835 7741 1 19 . 1 1 17 17 VAL N N 14 119.183 119.183 119.517 -0.334 17835 7742 1 19 . 1 1 17 17 VAL HA H 14 3.858 3.858 3.368 0.490 17835 7743 1 19 . 1 1 17 17 VAL C C 14 178.531 178.531 177.934 0.597 17835 7744 1 19 . 1 1 17 17 VAL CA C 14 65.552 65.552 67.430 -1.878 17835 7745 1 19 . 1 1 17 17 VAL CB C 14 32.190 32.190 31.501 0.689 17835 7746 1 19 . 1 1 17 17 VAL H H 14 8.324 8.324 8.089 0.235 17835 7747 1 19 . 1 1 18 18 LEU N N 15 120.498 120.498 118.971 1.527 17835 7748 1 19 . 1 1 18 18 LEU HA H 15 3.985 3.985 3.932 0.053 17835 7749 1 19 . 1 1 18 18 LEU C C 15 179.935 179.935 179.108 0.827 17835 7750 1 19 . 1 1 18 18 LEU CA C 15 58.474 58.474 57.683 0.791 17835 7751 1 19 . 1 1 18 18 LEU CB C 15 41.885 41.885 41.321 0.564 17835 7752 1 19 . 1 1 18 18 LEU H H 15 8.388 8.388 8.005 0.383 17835 7753 1 19 . 1 1 19 19 GLN N N 16 117.835 117.835 117.056 0.779 17835 7754 1 19 . 1 1 19 19 GLN HA H 16 3.981 3.981 4.084 -0.103 17835 7755 1 19 . 1 1 19 19 GLN C C 16 177.304 177.304 179.274 -1.970 17835 7756 1 19 . 1 1 19 19 GLN CA C 16 58.668 58.668 58.415 0.253 17835 7757 1 19 . 1 1 19 19 GLN CB C 16 28.274 28.274 28.307 -0.033 17835 7758 1 19 . 1 1 19 19 GLN H H 16 8.689 8.689 8.328 0.361 17835 7759 1 19 . 1 1 20 20 SER N N 17 111.043 111.043 116.539 -5.496 17835 7760 1 19 . 1 1 20 20 SER HA H 17 4.386 4.386 4.366 0.020 17835 7761 1 19 . 1 1 20 20 SER C C 17 173.630 173.630 176.512 -2.882 17835 7762 1 19 . 1 1 20 20 SER CA C 17 59.252 59.252 61.595 -2.343 17835 7763 1 19 . 1 1 20 20 SER CB C 17 63.600 63.600 63.601 -0.001 17835 7764 1 19 . 1 1 20 20 SER H H 17 7.461 7.461 8.116 -0.655 17835 7765 1 19 . 1 1 21 21 HIS N N 18 121.324 121.324 120.389 0.935 17835 7766 1 19 . 1 1 21 21 HIS HA H 18 4.824 4.824 4.853 -0.029 17835 7767 1 19 . 1 1 21 21 HIS C C 18 174.835 174.835 175.243 -0.408 17835 7768 1 19 . 1 1 21 21 HIS CA C 18 54.386 54.386 53.028 1.358 17835 7769 1 19 . 1 1 21 21 HIS CB C 18 28.657 28.657 27.613 1.044 17835 7770 1 19 . 1 1 21 21 HIS H H 18 7.692 7.692 8.076 -0.384 17835 7771 1 19 . 1 1 22 22 LYS N N 19 123.925 123.925 121.062 2.863 17835 7772 1 19 . 1 1 22 22 LYS HA H 19 4.161 4.161 4.169 -0.008 17835 7773 1 19 . 1 1 22 22 LYS C C 19 177.562 177.562 177.549 0.013 17835 7774 1 19 . 1 1 22 22 LYS CA C 19 59.316 59.316 58.193 1.123 17835 7775 1 19 . 1 1 22 22 LYS CB C 19 32.202 32.202 31.868 0.334 17835 7776 1 19 . 1 1 22 22 LYS H H 19 8.809 8.809 7.631 1.178 17835 7777 1 19 . 1 1 23 23 ASN N N 20 115.473 115.473 116.778 -1.305 17835 7778 1 19 . 1 1 23 23 ASN HA H 20 5.073 5.073 4.661 0.412 17835 7779 1 19 . 1 1 23 23 ASN C C 20 174.783 174.783 175.596 -0.813 17835 7780 1 19 . 1 1 23 23 ASN CA C 20 52.835 52.835 53.763 -0.928 17835 7781 1 19 . 1 1 23 23 ASN CB C 20 38.540 38.540 39.047 -0.507 17835 7782 1 19 . 1 1 23 23 ASN H H 20 8.784 8.784 8.280 0.504 17835 7783 1 19 . 1 1 24 24 GLY N N 21 107.402 107.402 107.323 0.079 17835 7784 1 19 . 1 1 24 24 GLY C C 21 172.572 172.572 172.987 -0.415 17835 7785 1 19 . 1 1 24 24 GLY CA C 21 44.739 44.739 44.376 0.363 17835 7786 1 19 . 1 1 24 24 GLY H H 21 7.743 7.743 7.861 -0.118 17835 7787 1 19 . 1 1 25 25 ILE N N 22 117.796 117.796 115.918 1.878 17835 7788 1 19 . 1 1 25 25 ILE HA H 22 4.272 4.272 4.655 -0.383 17835 7789 1 19 . 1 1 25 25 ILE C C 22 175.452 175.452 175.004 0.448 17835 7790 1 19 . 1 1 25 25 ILE CA C 22 59.468 59.468 59.210 0.258 17835 7791 1 19 . 1 1 25 25 ILE CB C 22 41.833 41.833 40.634 1.199 17835 7792 1 19 . 1 1 25 25 ILE H H 22 8.509 8.509 8.022 0.487 17835 7793 1 19 . 1 1 26 26 VAL N N 23 124.597 124.597 122.164 2.433 17835 7794 1 19 . 1 1 26 26 VAL HA H 23 4.585 4.585 4.487 0.098 17835 7795 1 19 . 1 1 26 26 VAL C C 23 177.566 177.566 177.679 -0.113 17835 7796 1 19 . 1 1 26 26 VAL CA C 23 62.227 62.227 62.158 0.069 17835 7797 1 19 . 1 1 26 26 VAL CB C 23 31.945 31.945 31.945 0.000 17835 7798 1 19 . 1 1 26 26 VAL H H 23 8.524 8.524 8.395 0.129 17835 7799 1 19 . 1 1 27 27 LEU N N 24 124.858 124.858 122.187 2.671 17835 7800 1 19 . 1 1 27 27 LEU HA H 24 4.011 4.011 4.384 -0.373 17835 7801 1 19 . 1 1 27 27 LEU C C 24 175.569 175.569 176.571 -1.002 17835 7802 1 19 . 1 1 27 27 LEU CA C 24 60.394 60.394 59.038 1.356 17835 7803 1 19 . 1 1 27 27 LEU CB C 24 39.402 39.402 38.842 0.560 17835 7804 1 19 . 1 1 27 27 LEU H H 24 8.816 8.816 8.260 0.556 17835 7805 1 19 . 1 1 28 28 PRO HA H 25 4.401 4.401 4.260 0.141 17835 7806 1 19 . 1 1 28 28 PRO C C 25 177.600 177.600 179.236 -1.636 17835 7807 1 19 . 1 1 28 28 PRO CA C 25 65.549 65.549 65.824 -0.275 17835 7808 1 19 . 1 1 28 28 PRO CB C 25 31.458 31.458 30.856 0.602 17835 7809 1 19 . 1 1 29 29 ARG N N 26 115.136 115.136 119.183 -4.047 17835 7810 1 19 . 1 1 29 29 ARG HA H 26 4.511 4.511 4.125 0.386 17835 7811 1 19 . 1 1 29 29 ARG C C 26 177.152 177.152 178.194 -1.042 17835 7812 1 19 . 1 1 29 29 ARG CA C 26 55.853 55.853 59.230 -3.377 17835 7813 1 19 . 1 1 29 29 ARG CB C 26 30.981 30.981 30.009 0.972 17835 7814 1 19 . 1 1 29 29 ARG H H 26 7.869 7.869 7.780 0.089 17835 7815 1 19 . 1 1 30 30 LEU N N 27 122.984 122.984 122.012 0.972 17835 7816 1 19 . 1 1 30 30 LEU HA H 27 3.842 3.842 3.967 -0.125 17835 7817 1 19 . 1 1 30 30 LEU C C 27 177.872 177.872 178.458 -0.586 17835 7818 1 19 . 1 1 30 30 LEU CA C 27 59.458 59.458 58.627 0.831 17835 7819 1 19 . 1 1 30 30 LEU CB C 27 42.326 42.326 41.316 1.010 17835 7820 1 19 . 1 1 30 30 LEU H H 27 7.870 7.870 8.650 -0.780 17835 7821 1 19 . 1 1 31 31 GLN N N 28 117.382 117.382 117.690 -0.308 17835 7822 1 19 . 1 1 31 31 GLN HA H 28 4.689 4.689 4.020 0.669 17835 7823 1 19 . 1 1 31 31 GLN C C 28 178.888 178.888 179.098 -0.210 17835 7824 1 19 . 1 1 31 31 GLN CA C 28 60.243 60.243 59.720 0.523 17835 7825 1 19 . 1 1 31 31 GLN CB C 28 27.811 27.811 28.393 -0.582 17835 7826 1 19 . 1 1 31 31 GLN H H 28 9.217 9.217 8.071 1.146 17835 7827 1 19 . 1 1 32 32 GLY N N 29 105.066 105.066 107.740 -2.674 17835 7828 1 19 . 1 1 32 32 GLY C C 29 177.579 177.579 176.561 1.018 17835 7829 1 19 . 1 1 32 32 GLY CA C 29 47.254 47.254 47.297 -0.043 17835 7830 1 19 . 1 1 32 32 GLY H H 29 8.680 8.680 8.319 0.361 17835 7831 1 19 . 1 1 33 33 GLU N N 30 121.593 121.593 123.062 -1.469 17835 7832 1 19 . 1 1 33 33 GLU HA H 30 4.274 4.274 4.209 0.065 17835 7833 1 19 . 1 1 33 33 GLU C C 30 179.316 179.316 178.897 0.419 17835 7834 1 19 . 1 1 33 33 GLU CA C 30 59.068 59.068 58.457 0.611 17835 7835 1 19 . 1 1 33 33 GLU CB C 30 29.077 29.077 29.368 -0.291 17835 7836 1 19 . 1 1 33 33 GLU H H 30 8.063 8.063 8.254 -0.191 17835 7837 1 19 . 1 1 34 34 TYR N N 31 123.143 123.143 122.062 1.081 17835 7838 1 19 . 1 1 34 34 TYR HA H 31 4.083 4.083 4.053 0.030 17835 7839 1 19 . 1 1 34 34 TYR C C 31 178.379 178.379 177.197 1.182 17835 7840 1 19 . 1 1 34 34 TYR CA C 31 62.406 62.406 61.780 0.626 17835 7841 1 19 . 1 1 34 34 TYR CB C 31 39.405 39.405 38.419 0.986 17835 7842 1 19 . 1 1 34 34 TYR H H 31 9.063 9.063 8.868 0.195 17835 7843 1 19 . 1 1 35 35 ARG N N 32 123.458 123.458 119.717 3.741 17835 7844 1 19 . 1 1 35 35 ARG HA H 32 4.281 4.281 3.921 0.360 17835 7845 1 19 . 1 1 35 35 ARG C C 32 180.186 180.186 178.957 1.229 17835 7846 1 19 . 1 1 35 35 ARG CA C 32 58.908 58.908 59.106 -0.198 17835 7847 1 19 . 1 1 35 35 ARG CB C 32 29.708 29.708 29.976 -0.268 17835 7848 1 19 . 1 1 35 35 ARG H H 32 9.321 9.321 8.596 0.725 17835 7849 1 19 . 1 1 36 36 SER N N 33 116.071 116.071 115.793 0.278 17835 7850 1 19 . 1 1 36 36 SER HA H 33 4.048 4.048 4.072 -0.024 17835 7851 1 19 . 1 1 36 36 SER C C 33 175.063 175.063 175.723 -0.660 17835 7852 1 19 . 1 1 36 36 SER CA C 33 61.856 61.856 61.050 0.806 17835 7853 1 19 . 1 1 36 36 SER CB C 33 62.779 62.779 63.011 -0.232 17835 7854 1 19 . 1 1 36 36 SER H H 33 8.078 8.078 7.973 0.105 17835 7855 1 19 . 1 1 37 37 LEU N N 34 118.571 118.571 122.200 -3.629 17835 7856 1 19 . 1 1 37 37 LEU HA H 34 4.342 4.342 4.196 0.146 17835 7857 1 19 . 1 1 37 37 LEU C C 34 178.400 178.400 178.265 0.135 17835 7858 1 19 . 1 1 37 37 LEU CA C 34 57.073 57.073 57.056 0.017 17835 7859 1 19 . 1 1 37 37 LEU CB C 34 43.132 43.132 42.450 0.681 17835 7860 1 19 . 1 1 37 37 LEU H H 34 7.167 7.167 7.501 -0.334 17835 7861 1 19 . 1 1 38 38 THR N N 35 106.425 106.425 108.472 -2.047 17835 7862 1 19 . 1 1 38 38 THR HA H 35 4.163 4.163 4.094 0.069 17835 7863 1 19 . 1 1 38 38 THR C C 35 176.259 176.259 175.899 0.360 17835 7864 1 19 . 1 1 38 38 THR CA C 35 62.637 62.637 62.453 0.184 17835 7865 1 19 . 1 1 38 38 THR CB C 35 71.659 71.659 69.653 2.005 17835 7866 1 19 . 1 1 38 38 THR H H 35 8.168 8.168 7.874 0.294 17835 7867 1 19 . 1 1 39 39 GLY N N 36 112.162 112.162 111.400 0.762 17835 7868 1 19 . 1 1 39 39 GLY C C 36 172.464 172.464 172.850 -0.386 17835 7869 1 19 . 1 1 39 39 GLY CA C 36 45.225 45.225 45.136 0.089 17835 7870 1 19 . 1 1 39 39 GLY H H 36 8.759 8.759 8.080 0.679 17835 7871 1 19 . 1 1 40 40 ASP N N 37 121.106 121.106 118.190 2.916 17835 7872 1 19 . 1 1 40 40 ASP HA H 37 4.733 4.733 4.703 0.030 17835 7873 1 19 . 1 1 40 40 ASP C C 37 173.861 173.861 173.993 -0.132 17835 7874 1 19 . 1 1 40 40 ASP CA C 37 52.159 52.159 51.768 0.391 17835 7875 1 19 . 1 1 40 40 ASP CB C 37 44.573 44.573 43.597 0.976 17835 7876 1 19 . 1 1 40 40 ASP H H 37 8.414 8.414 7.504 0.910 17835 7877 1 19 . 1 1 41 41 TRP N N 38 115.206 115.206 119.365 -4.159 17835 7878 1 19 . 1 1 41 41 TRP HA H 38 5.107 5.107 4.906 0.201 17835 7879 1 19 . 1 1 41 41 TRP C C 38 177.125 177.125 177.765 -0.640 17835 7880 1 19 . 1 1 41 41 TRP CA C 38 54.889 54.889 56.214 -1.325 17835 7881 1 19 . 1 1 41 41 TRP CB C 38 31.592 31.592 30.793 0.799 17835 7882 1 19 . 1 1 41 41 TRP H H 38 8.016 8.016 8.272 -0.256 17835 7883 1 19 . 1 1 42 42 ILE N N 39 123.723 123.723 123.273 0.450 17835 7884 1 19 . 1 1 42 42 ILE HA H 39 3.512 3.512 3.549 -0.037 17835 7885 1 19 . 1 1 42 42 ILE C C 39 177.199 177.199 176.045 1.154 17835 7886 1 19 . 1 1 42 42 ILE CA C 39 60.467 60.467 60.361 0.106 17835 7887 1 19 . 1 1 42 42 ILE CB C 39 38.133 38.133 36.828 1.305 17835 7888 1 19 . 1 1 42 42 ILE H H 39 10.079 10.079 9.259 0.820 17835 7889 1 19 . 1 1 43 43 PRO HA H 40 4.600 4.600 4.711 -0.111 17835 7890 1 19 . 1 1 43 43 PRO C C 40 174.997 174.997 176.861 -1.864 17835 7891 1 19 . 1 1 43 43 PRO CA C 40 62.511 62.511 62.344 0.167 17835 7892 1 19 . 1 1 43 43 PRO CB C 40 27.857 27.857 29.343 -1.486 17835 7893 1 19 . 1 1 44 44 PHE N N 41 118.808 118.808 119.865 -1.057 17835 7894 1 19 . 1 1 44 44 PHE HA H 41 3.737 3.737 4.219 -0.482 17835 7895 1 19 . 1 1 44 44 PHE C C 41 175.891 175.891 176.953 -1.062 17835 7896 1 19 . 1 1 44 44 PHE CA C 41 60.911 60.911 62.207 -1.296 17835 7897 1 19 . 1 1 44 44 PHE CB C 41 38.412 38.412 37.531 0.881 17835 7898 1 19 . 1 1 44 44 PHE H H 41 7.647 7.647 7.936 -0.289 17835 7899 1 19 . 1 1 45 45 LYS N N 42 123.543 123.543 119.219 4.324 17835 7900 1 19 . 1 1 45 45 LYS HA H 42 4.763 4.763 4.230 0.533 17835 7901 1 19 . 1 1 45 45 LYS C C 42 181.828 181.828 178.747 3.081 17835 7902 1 19 . 1 1 45 45 LYS CA C 42 58.959 58.959 57.740 1.219 17835 7903 1 19 . 1 1 45 45 LYS CB C 42 31.599 31.599 31.246 0.353 17835 7904 1 19 . 1 1 45 45 LYS H H 42 7.387 7.387 7.340 0.047 17835 7905 1 19 . 1 1 46 46 GLN N N 43 123.171 123.171 118.454 4.717 17835 7906 1 19 . 1 1 46 46 GLN HA H 43 3.896 3.896 4.014 -0.118 17835 7907 1 19 . 1 1 46 46 GLN C C 43 178.167 178.167 177.979 0.188 17835 7908 1 19 . 1 1 46 46 GLN CA C 43 59.066 59.066 58.583 0.483 17835 7909 1 19 . 1 1 46 46 GLN CB C 43 27.702 27.702 28.179 -0.477 17835 7910 1 19 . 1 1 46 46 GLN H H 43 8.567 8.567 7.899 0.668 17835 7911 1 19 . 1 1 47 47 LEU N N 44 116.472 116.472 118.375 -1.903 17835 7912 1 19 . 1 1 47 47 LEU HA H 44 4.255 4.255 4.206 0.049 17835 7913 1 19 . 1 1 47 47 LEU C C 44 176.103 176.103 178.065 -1.962 17835 7914 1 19 . 1 1 47 47 LEU CA C 44 55.308 55.308 55.959 -0.651 17835 7915 1 19 . 1 1 47 47 LEU CB C 44 41.374 41.374 42.852 -1.478 17835 7916 1 19 . 1 1 47 47 LEU H H 44 7.544 7.544 8.239 -0.695 17835 7917 1 19 . 1 1 48 48 GLY N N 45 104.932 104.932 103.909 1.023 17835 7918 1 19 . 1 1 48 48 GLY C C 45 173.844 173.844 174.398 -0.554 17835 7919 1 19 . 1 1 48 48 GLY CA C 45 44.826 44.826 44.417 0.409 17835 7920 1 19 . 1 1 48 48 GLY H H 45 7.741 7.741 7.897 -0.156 17835 7921 1 19 . 1 1 49 49 TYR N N 46 119.946 119.946 121.087 -1.141 17835 7922 1 19 . 1 1 49 49 TYR HA H 46 4.839 4.839 4.858 -0.019 17835 7923 1 19 . 1 1 49 49 TYR C C 46 174.575 174.575 174.971 -0.396 17835 7924 1 19 . 1 1 49 49 TYR CA C 46 56.349 56.349 56.119 0.230 17835 7925 1 19 . 1 1 49 49 TYR CB C 46 41.464 41.464 38.448 3.016 17835 7926 1 19 . 1 1 49 49 TYR H H 46 8.332 8.332 8.015 0.317 17835 7927 1 19 . 1 1 50 50 PRO HA H 47 4.556 4.556 4.464 0.092 17835 7928 1 19 . 1 1 50 50 PRO C C 47 177.125 177.125 176.695 0.430 17835 7929 1 19 . 1 1 50 50 PRO CA C 47 64.115 64.115 64.853 -0.738 17835 7930 1 19 . 1 1 50 50 PRO CB C 47 32.152 32.152 31.937 0.215 17835 7931 1 19 . 1 1 51 51 THR N N 48 105.643 105.643 108.142 -2.499 17835 7932 1 19 . 1 1 51 51 THR HA H 48 4.129 4.129 4.364 -0.235 17835 7933 1 19 . 1 1 51 51 THR C C 48 173.270 173.270 174.726 -1.456 17835 7934 1 19 . 1 1 51 51 THR CA C 48 58.738 58.738 59.984 -1.246 17835 7935 1 19 . 1 1 51 51 THR CB C 48 73.254 73.254 72.141 1.113 17835 7936 1 19 . 1 1 51 51 THR H H 48 6.939 6.939 7.670 -0.731 17835 7937 1 19 . 1 1 52 52 LEU N N 49 121.743 121.743 122.925 -1.182 17835 7938 1 19 . 1 1 52 52 LEU HA H 49 3.325 3.325 3.820 -0.495 17835 7939 1 19 . 1 1 52 52 LEU C C 49 178.195 178.195 178.811 -0.616 17835 7940 1 19 . 1 1 52 52 LEU CA C 49 57.551 57.551 57.845 -0.294 17835 7941 1 19 . 1 1 52 52 LEU CB C 49 40.517 40.517 40.291 0.226 17835 7942 1 19 . 1 1 52 52 LEU H H 49 7.849 7.849 8.111 -0.263 17835 7943 1 19 . 1 1 53 53 GLU N N 50 118.706 118.706 118.824 -0.118 17835 7944 1 19 . 1 1 53 53 GLU HA H 50 3.411 3.411 3.881 -0.470 17835 7945 1 19 . 1 1 53 53 GLU C C 50 176.853 176.853 178.505 -1.652 17835 7946 1 19 . 1 1 53 53 GLU CA C 50 60.720 60.720 59.389 1.331 17835 7947 1 19 . 1 1 53 53 GLU CB C 50 28.696 28.696 28.736 -0.040 17835 7948 1 19 . 1 1 53 53 GLU H H 50 8.981 8.981 8.736 0.245 17835 7949 1 19 . 1 1 54 54 ALA N N 51 119.673 119.673 122.661 -2.988 17835 7950 1 19 . 1 1 54 54 ALA HA H 51 3.885 3.885 4.026 -0.141 17835 7951 1 19 . 1 1 54 54 ALA C C 51 180.232 180.232 179.401 0.831 17835 7952 1 19 . 1 1 54 54 ALA CA C 51 55.127 55.127 55.027 0.100 17835 7953 1 19 . 1 1 54 54 ALA CB C 51 18.345 18.345 18.474 -0.129 17835 7954 1 19 . 1 1 54 54 ALA H H 51 8.001 8.001 7.672 0.329 17835 7955 1 19 . 1 1 55 55 TYR N N 52 117.474 117.474 120.321 -2.847 17835 7956 1 19 . 1 1 55 55 TYR HA H 52 2.898 2.898 3.280 -0.382 17835 7957 1 19 . 1 1 55 55 TYR C C 52 178.563 178.563 177.401 1.162 17835 7958 1 19 . 1 1 55 55 TYR CA C 52 59.876 59.876 61.236 -1.360 17835 7959 1 19 . 1 1 55 55 TYR CB C 52 37.365 37.365 38.224 -0.859 17835 7960 1 19 . 1 1 55 55 TYR H H 52 7.218 7.218 7.983 -0.765 17835 7961 1 19 . 1 1 56 56 LEU N N 53 121.106 121.106 117.792 3.314 17835 7962 1 19 . 1 1 56 56 LEU HA H 53 3.221 3.221 3.652 -0.431 17835 7963 1 19 . 1 1 56 56 LEU C C 53 179.706 179.706 179.277 0.429 17835 7964 1 19 . 1 1 56 56 LEU CA C 53 57.334 57.334 57.412 -0.078 17835 7965 1 19 . 1 1 56 56 LEU CB C 53 40.788 40.788 41.609 -0.821 17835 7966 1 19 . 1 1 56 56 LEU H H 53 8.440 8.440 8.007 0.433 17835 7967 1 19 . 1 1 57 57 ARG N N 54 116.303 116.303 120.096 -3.793 17835 7968 1 19 . 1 1 57 57 ARG HA H 54 3.722 3.722 4.006 -0.284 17835 7969 1 19 . 1 1 57 57 ARG C C 54 176.071 176.071 177.804 -1.733 17835 7970 1 19 . 1 1 57 57 ARG CA C 54 58.463 58.463 58.638 -0.175 17835 7971 1 19 . 1 1 57 57 ARG CB C 54 29.735 29.735 29.922 -0.187 17835 7972 1 19 . 1 1 57 57 ARG H H 54 7.998 7.998 8.605 -0.607 17835 7973 1 19 . 1 1 58 58 SER N N 55 115.365 115.365 112.749 2.616 17835 7974 1 19 . 1 1 58 58 SER HA H 55 4.357 4.357 4.365 -0.008 17835 7975 1 19 . 1 1 58 58 SER C C 55 173.970 173.970 174.143 -0.173 17835 7976 1 19 . 1 1 58 58 SER CA C 55 59.762 59.762 59.958 -0.196 17835 7977 1 19 . 1 1 58 58 SER CB C 55 63.886 63.886 63.472 0.414 17835 7978 1 19 . 1 1 58 58 SER H H 55 7.491 7.491 7.531 -0.040 17835 7979 1 19 . 1 1 59 59 VAL N N 56 113.059 113.059 120.218 -7.159 17835 7980 1 19 . 1 1 59 59 VAL HA H 56 5.090 5.090 4.484 0.606 17835 7981 1 19 . 1 1 59 59 VAL C C 56 174.276 174.276 173.912 0.364 17835 7982 1 19 . 1 1 59 59 VAL CA C 56 58.444 58.444 58.879 -0.435 17835 7983 1 19 . 1 1 59 59 VAL CB C 56 31.559 31.559 32.926 -1.367 17835 7984 1 19 . 1 1 59 59 VAL H H 56 6.729 6.729 7.012 -0.283 17835 7985 1 19 . 1 1 60 60 PRO HA H 57 4.902 4.902 4.715 0.187 17835 7986 1 19 . 1 1 60 60 PRO C C 57 177.563 177.563 177.180 0.383 17835 7987 1 19 . 1 1 60 60 PRO CA C 57 64.541 64.541 64.604 -0.063 17835 7988 1 19 . 1 1 60 60 PRO CB C 57 31.768 31.768 31.732 0.036 17835 7989 1 19 . 1 1 61 61 ALA N N 58 120.004 120.004 119.664 0.340 17835 7990 1 19 . 1 1 61 61 ALA HA H 58 4.327 4.327 4.251 0.076 17835 7991 1 19 . 1 1 61 61 ALA C C 58 177.191 177.191 177.668 -0.477 17835 7992 1 19 . 1 1 61 61 ALA CA C 58 52.795 52.795 53.624 -0.829 17835 7993 1 19 . 1 1 61 61 ALA CB C 58 18.427 18.427 19.217 -0.790 17835 7994 1 19 . 1 1 61 61 ALA H H 58 8.397 8.397 8.165 0.232 17835 7995 1 19 . 1 1 62 62 VAL N N 59 116.635 116.635 113.657 2.978 17835 7996 1 19 . 1 1 62 62 VAL HA H 59 4.032 4.032 4.311 -0.279 17835 7997 1 19 . 1 1 62 62 VAL C C 59 174.238 174.238 174.715 -0.477 17835 7998 1 19 . 1 1 62 62 VAL CA C 59 63.741 63.741 63.243 0.498 17835 7999 1 19 . 1 1 62 62 VAL CB C 59 34.115 34.115 34.953 -0.838 17835 8000 1 19 . 1 1 62 62 VAL H H 59 8.080 8.080 7.631 0.449 17835 8001 1 19 . 1 1 63 63 VAL N N 60 117.153 117.153 118.703 -1.550 17835 8002 1 19 . 1 1 63 63 VAL HA H 60 4.911 4.911 4.639 0.272 17835 8003 1 19 . 1 1 63 63 VAL C C 60 172.258 172.258 173.653 -1.395 17835 8004 1 19 . 1 1 63 63 VAL CA C 60 59.006 59.006 60.866 -1.860 17835 8005 1 19 . 1 1 63 63 VAL CB C 60 35.461 35.461 36.547 -1.086 17835 8006 1 19 . 1 1 63 63 VAL H H 60 7.791 7.791 8.185 -0.394 17835 8007 1 19 . 1 1 64 64 ARG N N 61 129.658 129.658 121.683 7.975 17835 8008 1 19 . 1 1 64 64 ARG HA H 61 4.727 4.727 4.701 0.026 17835 8009 1 19 . 1 1 64 64 ARG C C 61 174.437 174.437 173.621 0.816 17835 8010 1 19 . 1 1 64 64 ARG CA C 61 54.117 54.117 55.492 -1.375 17835 8011 1 19 . 1 1 64 64 ARG CB C 61 32.754 32.754 34.202 -1.448 17835 8012 1 19 . 1 1 64 64 ARG H H 61 9.208 9.208 8.977 0.231 17835 8013 1 19 . 1 1 65 65 ILE N N 62 125.775 125.775 118.015 7.760 17835 8014 1 19 . 1 1 65 65 ILE HA H 62 4.917 4.917 5.361 -0.444 17835 8015 1 19 . 1 1 65 65 ILE C C 62 175.842 175.842 174.536 1.306 17835 8016 1 19 . 1 1 65 65 ILE CA C 62 59.545 59.545 59.853 -0.308 17835 8017 1 19 . 1 1 65 65 ILE CB C 62 39.645 39.645 42.421 -2.776 17835 8018 1 19 . 1 1 65 65 ILE H H 62 8.736 8.736 8.304 0.432 17835 8019 1 19 . 1 1 66 66 GLU N N 63 127.114 127.114 123.038 4.076 17835 8020 1 19 . 1 1 66 66 GLU HA H 63 4.677 4.677 4.717 -0.040 17835 8021 1 19 . 1 1 66 66 GLU C C 63 174.409 174.409 175.372 -0.963 17835 8022 1 19 . 1 1 66 66 GLU CA C 63 54.791 54.791 55.280 -0.489 17835 8023 1 19 . 1 1 66 66 GLU CB C 63 33.078 33.078 32.399 0.679 17835 8024 1 19 . 1 1 66 66 GLU H H 63 9.197 9.197 9.076 0.121 17835 8025 1 19 . 1 1 67 67 ALA N N 64 127.913 127.913 129.766 -1.853 17835 8026 1 19 . 1 1 67 67 ALA HA H 64 5.026 5.026 4.676 0.350 17835 8027 1 19 . 1 1 67 67 ALA C C 64 177.717 177.717 177.153 0.564 17835 8028 1 19 . 1 1 67 67 ALA CA C 64 51.070 51.070 51.822 -0.752 17835 8029 1 19 . 1 1 67 67 ALA CB C 64 19.550 19.550 18.935 0.615 17835 8030 1 19 . 1 1 67 67 ALA H H 64 8.779 8.779 8.641 0.138 17835 8031 1 19 . 1 1 68 68 SER N N 65 119.364 119.364 119.936 -0.572 17835 8032 1 19 . 1 1 68 68 SER HA H 65 4.665 4.665 4.445 0.220 17835 8033 1 19 . 1 1 68 68 SER C C 65 176.518 176.518 176.652 -0.134 17835 8034 1 19 . 1 1 68 68 SER CA C 65 57.096 57.096 56.995 0.101 17835 8035 1 19 . 1 1 68 68 SER CB C 65 65.234 65.234 64.430 0.805 17835 8036 1 19 . 1 1 68 68 SER H H 65 8.951 8.951 8.538 0.413 17835 8037 1 19 . 1 1 69 69 ARG N N 66 123.143 123.143 126.756 -3.613 17835 8038 1 19 . 1 1 69 69 ARG HA H 66 4.153 4.153 4.169 -0.016 17835 8039 1 19 . 1 1 69 69 ARG C C 66 177.356 177.356 176.558 0.798 17835 8040 1 19 . 1 1 69 69 ARG CA C 66 58.973 58.973 58.259 0.714 17835 8041 1 19 . 1 1 69 69 ARG CB C 66 29.659 29.659 28.956 0.703 17835 8042 1 19 . 1 1 69 69 ARG H H 66 9.075 9.075 8.942 0.133 17835 8043 1 19 . 1 1 70 70 SER N N 67 112.081 112.081 115.229 -3.148 17835 8044 1 19 . 1 1 70 70 SER HA H 67 4.416 4.416 4.378 0.038 17835 8045 1 19 . 1 1 70 70 SER C C 67 175.146 175.146 175.213 -0.067 17835 8046 1 19 . 1 1 70 70 SER CA C 67 58.413 58.413 58.415 -0.002 17835 8047 1 19 . 1 1 70 70 SER CB C 67 63.477 63.477 63.582 -0.105 17835 8048 1 19 . 1 1 70 70 SER H H 67 8.083 8.083 7.686 0.397 17835 8049 1 19 . 1 1 71 71 GLY N N 68 110.519 110.519 109.350 1.169 17835 8050 1 19 . 1 1 71 71 GLY C C 68 174.116 174.116 173.525 0.591 17835 8051 1 19 . 1 1 71 71 GLY CA C 68 45.114 45.114 45.192 -0.078 17835 8052 1 19 . 1 1 71 71 GLY H H 68 7.974 7.974 7.906 0.068 17835 8053 1 19 . 1 1 72 72 GLU N N 69 120.663 120.663 119.085 1.578 17835 8054 1 19 . 1 1 72 72 GLU HA H 69 4.289 4.289 4.699 -0.410 17835 8055 1 19 . 1 1 72 72 GLU C C 69 175.352 175.352 174.330 1.022 17835 8056 1 19 . 1 1 72 72 GLU CA C 69 56.082 56.082 54.417 1.665 17835 8057 1 19 . 1 1 72 72 GLU CB C 69 30.517 30.517 32.904 -2.387 17835 8058 1 19 . 1 1 72 72 GLU H H 69 7.630 7.630 7.562 0.068 17835 8059 1 19 . 1 1 73 73 ILE N N 70 125.775 125.775 121.694 4.081 17835 8060 1 19 . 1 1 73 73 ILE HA H 70 4.367 4.367 4.937 -0.570 17835 8061 1 19 . 1 1 73 73 ILE C C 70 174.613 174.613 173.485 1.128 17835 8062 1 19 . 1 1 73 73 ILE CA C 70 60.876 60.876 59.533 1.343 17835 8063 1 19 . 1 1 73 73 ILE CB C 70 37.465 37.465 41.370 -3.905 17835 8064 1 19 . 1 1 73 73 ILE H H 70 8.753 8.753 8.399 0.354 17835 8065 1 19 . 1 1 74 74 VAL N N 71 128.300 128.300 127.754 0.546 17835 8066 1 19 . 1 1 74 74 VAL HA H 71 4.153 4.153 4.388 -0.235 17835 8067 1 19 . 1 1 74 74 VAL C C 71 173.544 173.544 174.650 -1.106 17835 8068 1 19 . 1 1 74 74 VAL CA C 71 61.736 61.736 60.029 1.707 17835 8069 1 19 . 1 1 74 74 VAL CB C 71 33.763 33.763 33.043 0.720 17835 8070 1 19 . 1 1 74 74 VAL H H 71 8.724 8.724 8.698 0.026 17835 8071 1 19 . 1 1 75 75 CYS N N 72 122.823 122.823 125.545 -2.722 17835 8072 1 19 . 1 1 75 75 CYS HA H 72 4.948 4.948 4.922 0.026 17835 8073 1 19 . 1 1 75 75 CYS C C 72 173.200 173.200 173.865 -0.665 17835 8074 1 19 . 1 1 75 75 CYS CA C 72 57.176 57.176 57.984 -0.808 17835 8075 1 19 . 1 1 75 75 CYS CB C 72 29.712 29.712 29.553 0.159 17835 8076 1 19 . 1 1 75 75 CYS H H 72 8.200 8.200 8.735 -0.535 17835 8077 1 19 . 1 1 76 76 TYR N N 73 119.584 119.584 118.921 0.663 17835 8078 1 19 . 1 1 76 76 TYR HA H 73 5.013 5.013 4.768 0.245 17835 8079 1 19 . 1 1 76 76 TYR C C 73 175.779 175.779 174.881 0.898 17835 8080 1 19 . 1 1 76 76 TYR CA C 73 56.289 56.289 57.124 -0.835 17835 8081 1 19 . 1 1 76 76 TYR CB C 73 42.505 42.505 43.094 -0.590 17835 8082 1 19 . 1 1 76 76 TYR H H 73 9.265 9.265 9.265 -0.000 17835 8083 1 19 . 1 1 77 77 ALA N N 74 122.844 122.844 121.873 0.971 17835 8084 1 19 . 1 1 77 77 ALA HA H 74 4.423 4.423 4.612 -0.189 17835 8085 1 19 . 1 1 77 77 ALA C C 74 177.907 177.907 175.772 2.135 17835 8086 1 19 . 1 1 77 77 ALA CA C 74 52.151 52.151 51.271 0.880 17835 8087 1 19 . 1 1 77 77 ALA CB C 74 18.915 18.915 20.971 -2.056 17835 8088 1 19 . 1 1 77 77 ALA H H 74 9.145 9.145 8.967 0.178 17835 8089 1 19 . 1 1 78 78 VAL N N 75 123.434 123.434 116.463 6.971 17835 8090 1 19 . 1 1 78 78 VAL HA H 75 3.826 3.826 4.449 -0.623 17835 8091 1 19 . 1 1 78 78 VAL C C 75 174.995 174.995 175.030 -0.035 17835 8092 1 19 . 1 1 78 78 VAL CA C 75 63.379 63.379 62.201 1.178 17835 8093 1 19 . 1 1 78 78 VAL CB C 75 32.715 32.715 35.082 -2.367 17835 8094 1 19 . 1 1 78 78 VAL H H 75 7.894 7.894 8.739 -0.845 17835 8095 1 20 . 1 1 5 5 LEU N N 2 124.907 124.907 122.482 2.425 17835 8096 1 20 . 1 1 5 5 LEU HA H 2 4.299 4.299 4.324 -0.025 17835 8097 1 20 . 1 1 5 5 LEU C C 2 177.892 177.892 177.915 -0.023 17835 8098 1 20 . 1 1 5 5 LEU CA C 2 55.749 55.749 54.958 0.791 17835 8099 1 20 . 1 1 5 5 LEU CB C 2 42.001 42.001 42.809 -0.808 17835 8100 1 20 . 1 1 5 5 LEU H H 2 8.636 8.636 8.445 0.191 17835 8101 1 20 . 1 1 6 6 GLU N N 3 122.649 122.649 123.002 -0.353 17835 8102 1 20 . 1 1 6 6 GLU HA H 3 4.172 4.172 3.859 0.313 17835 8103 1 20 . 1 1 6 6 GLU C C 3 177.481 177.481 178.434 -0.953 17835 8104 1 20 . 1 1 6 6 GLU CA C 3 58.106 58.106 60.128 -2.022 17835 8105 1 20 . 1 1 6 6 GLU CB C 3 28.874 28.874 29.824 -0.950 17835 8106 1 20 . 1 1 6 6 GLU H H 3 8.594 8.594 8.960 -0.366 17835 8107 1 20 . 1 1 7 7 ALA N N 4 121.929 121.929 120.252 1.677 17835 8108 1 20 . 1 1 7 7 ALA HA H 4 3.944 3.944 4.176 -0.232 17835 8109 1 20 . 1 1 7 7 ALA C C 4 180.419 180.419 179.507 0.912 17835 8110 1 20 . 1 1 7 7 ALA CA C 4 55.686 55.686 55.191 0.494 17835 8111 1 20 . 1 1 7 7 ALA CB C 4 18.587 18.587 18.178 0.409 17835 8112 1 20 . 1 1 7 7 ALA H H 4 8.744 8.744 8.314 0.430 17835 8113 1 20 . 1 1 8 8 ASP N N 5 117.514 117.514 119.516 -2.002 17835 8114 1 20 . 1 1 8 8 ASP HA H 5 4.482 4.482 4.496 -0.014 17835 8115 1 20 . 1 1 8 8 ASP C C 5 178.010 178.010 178.022 -0.012 17835 8116 1 20 . 1 1 8 8 ASP CA C 5 56.603 56.603 56.713 -0.110 17835 8117 1 20 . 1 1 8 8 ASP CB C 5 40.353 40.353 40.861 -0.508 17835 8118 1 20 . 1 1 8 8 ASP H H 5 8.071 8.071 7.708 0.363 17835 8119 1 20 . 1 1 9 9 LEU N N 6 122.640 122.640 121.714 0.926 17835 8120 1 20 . 1 1 9 9 LEU HA H 6 4.165 4.165 4.051 0.114 17835 8121 1 20 . 1 1 9 9 LEU C C 6 178.699 178.699 178.667 0.032 17835 8122 1 20 . 1 1 9 9 LEU CA C 6 57.986 57.986 58.017 -0.031 17835 8123 1 20 . 1 1 9 9 LEU CB C 6 41.675 41.675 42.069 -0.394 17835 8124 1 20 . 1 1 9 9 LEU H H 6 7.713 7.713 8.408 -0.695 17835 8125 1 20 . 1 1 10 10 VAL N N 7 119.303 119.303 115.479 3.824 17835 8126 1 20 . 1 1 10 10 VAL HA H 7 4.025 4.025 3.824 0.201 17835 8127 1 20 . 1 1 10 10 VAL C C 7 178.570 178.570 177.884 0.686 17835 8128 1 20 . 1 1 10 10 VAL CA C 7 65.683 65.683 66.620 -0.937 17835 8129 1 20 . 1 1 10 10 VAL CB C 7 31.841 31.841 31.341 0.500 17835 8130 1 20 . 1 1 10 10 VAL H H 7 8.115 8.115 8.080 0.035 17835 8131 1 20 . 1 1 11 11 SER N N 8 113.146 113.146 118.626 -5.480 17835 8132 1 20 . 1 1 11 11 SER HA H 8 4.042 4.042 4.235 -0.193 17835 8133 1 20 . 1 1 11 11 SER C C 8 176.364 176.364 176.742 -0.378 17835 8134 1 20 . 1 1 11 11 SER CA C 8 62.600 62.600 63.020 -0.420 17835 8135 1 20 . 1 1 11 11 SER CB C 8 61.596 61.596 63.012 -1.416 17835 8136 1 20 . 1 1 11 11 SER H H 8 7.796 7.796 8.129 -0.333 17835 8137 1 20 . 1 1 12 12 LYS N N 9 121.690 121.690 121.887 -0.197 17835 8138 1 20 . 1 1 12 12 LYS HA H 9 4.044 4.044 3.998 0.046 17835 8139 1 20 . 1 1 12 12 LYS C C 9 180.048 180.048 178.841 1.207 17835 8140 1 20 . 1 1 12 12 LYS CA C 9 60.002 60.002 59.735 0.267 17835 8141 1 20 . 1 1 12 12 LYS CB C 9 32.839 32.839 32.416 0.423 17835 8142 1 20 . 1 1 12 12 LYS H H 9 7.754 7.754 8.410 -0.656 17835 8143 1 20 . 1 1 13 13 MET N N 10 119.794 119.794 118.921 0.873 17835 8144 1 20 . 1 1 13 13 MET HA H 10 4.420 4.420 4.147 0.273 17835 8145 1 20 . 1 1 13 13 MET C C 10 178.151 178.151 178.328 -0.177 17835 8146 1 20 . 1 1 13 13 MET CA C 10 57.095 57.095 59.137 -2.042 17835 8147 1 20 . 1 1 13 13 MET CB C 10 31.599 31.599 32.699 -1.100 17835 8148 1 20 . 1 1 13 13 MET H H 10 8.451 8.451 8.325 0.126 17835 8149 1 20 . 1 1 14 14 LEU N N 11 122.035 122.035 122.189 -0.154 17835 8150 1 20 . 1 1 14 14 LEU HA H 11 4.207 4.207 4.126 0.081 17835 8151 1 20 . 1 1 14 14 LEU C C 11 178.526 178.526 177.991 0.535 17835 8152 1 20 . 1 1 14 14 LEU CA C 11 58.178 58.178 59.143 -0.965 17835 8153 1 20 . 1 1 14 14 LEU CB C 11 42.148 42.148 41.770 0.378 17835 8154 1 20 . 1 1 14 14 LEU H H 11 9.301 9.301 8.651 0.650 17835 8155 1 20 . 1 1 15 15 ARG N N 12 118.150 118.150 119.322 -1.172 17835 8156 1 20 . 1 1 15 15 ARG HA H 12 3.839 3.839 3.867 -0.028 17835 8157 1 20 . 1 1 15 15 ARG C C 12 177.951 177.951 178.362 -0.411 17835 8158 1 20 . 1 1 15 15 ARG CA C 12 60.500 60.500 59.297 1.203 17835 8159 1 20 . 1 1 15 15 ARG CB C 12 29.966 29.966 29.823 0.143 17835 8160 1 20 . 1 1 15 15 ARG H H 12 8.248 8.248 8.515 -0.267 17835 8161 1 20 . 1 1 16 16 ALA N N 13 120.291 120.291 121.709 -1.418 17835 8162 1 20 . 1 1 16 16 ALA HA H 13 4.150 4.150 4.057 0.093 17835 8163 1 20 . 1 1 16 16 ALA C C 13 181.072 181.072 179.700 1.372 17835 8164 1 20 . 1 1 16 16 ALA CA C 13 55.371 55.371 55.002 0.369 17835 8165 1 20 . 1 1 16 16 ALA CB C 13 17.845 17.845 18.451 -0.606 17835 8166 1 20 . 1 1 16 16 ALA H H 13 7.587 7.587 8.228 -0.641 17835 8167 1 20 . 1 1 17 17 VAL N N 14 119.183 119.183 119.669 -0.486 17835 8168 1 20 . 1 1 17 17 VAL HA H 14 3.858 3.858 3.355 0.503 17835 8169 1 20 . 1 1 17 17 VAL C C 14 178.531 178.531 177.865 0.666 17835 8170 1 20 . 1 1 17 17 VAL CA C 14 65.552 65.552 67.439 -1.887 17835 8171 1 20 . 1 1 17 17 VAL CB C 14 32.190 32.190 31.514 0.676 17835 8172 1 20 . 1 1 17 17 VAL H H 14 8.324 8.324 8.117 0.207 17835 8173 1 20 . 1 1 18 18 LEU N N 15 120.498 120.498 118.914 1.584 17835 8174 1 20 . 1 1 18 18 LEU HA H 15 3.985 3.985 3.952 0.033 17835 8175 1 20 . 1 1 18 18 LEU C C 15 179.935 179.935 179.133 0.802 17835 8176 1 20 . 1 1 18 18 LEU CA C 15 58.474 58.474 57.618 0.856 17835 8177 1 20 . 1 1 18 18 LEU CB C 15 41.885 41.885 41.342 0.543 17835 8178 1 20 . 1 1 18 18 LEU H H 15 8.388 8.388 7.923 0.465 17835 8179 1 20 . 1 1 19 19 GLN N N 16 117.835 117.835 117.322 0.513 17835 8180 1 20 . 1 1 19 19 GLN HA H 16 3.981 3.981 4.098 -0.117 17835 8181 1 20 . 1 1 19 19 GLN C C 16 177.304 177.304 178.669 -1.365 17835 8182 1 20 . 1 1 19 19 GLN CA C 16 58.668 58.668 58.148 0.520 17835 8183 1 20 . 1 1 19 19 GLN CB C 16 28.274 28.274 28.479 -0.205 17835 8184 1 20 . 1 1 19 19 GLN H H 16 8.689 8.689 8.508 0.181 17835 8185 1 20 . 1 1 20 20 SER N N 17 111.043 111.043 114.987 -3.944 17835 8186 1 20 . 1 1 20 20 SER HA H 17 4.386 4.386 4.384 0.002 17835 8187 1 20 . 1 1 20 20 SER C C 17 173.630 173.630 175.899 -2.269 17835 8188 1 20 . 1 1 20 20 SER CA C 17 59.252 59.252 61.053 -1.801 17835 8189 1 20 . 1 1 20 20 SER CB C 17 63.600 63.600 63.705 -0.105 17835 8190 1 20 . 1 1 20 20 SER H H 17 7.461 7.461 7.947 -0.486 17835 8191 1 20 . 1 1 21 21 HIS N N 18 121.324 121.324 119.841 1.483 17835 8192 1 20 . 1 1 21 21 HIS HA H 18 4.824 4.824 4.841 -0.017 17835 8193 1 20 . 1 1 21 21 HIS C C 18 174.835 174.835 175.138 -0.303 17835 8194 1 20 . 1 1 21 21 HIS CA C 18 54.386 54.386 52.742 1.644 17835 8195 1 20 . 1 1 21 21 HIS CB C 18 28.657 28.657 27.754 0.903 17835 8196 1 20 . 1 1 21 21 HIS H H 18 7.692 7.692 8.120 -0.428 17835 8197 1 20 . 1 1 22 22 LYS N N 19 123.925 123.925 120.962 2.963 17835 8198 1 20 . 1 1 22 22 LYS HA H 19 4.161 4.161 4.165 -0.004 17835 8199 1 20 . 1 1 22 22 LYS C C 19 177.562 177.562 177.485 0.077 17835 8200 1 20 . 1 1 22 22 LYS CA C 19 59.316 59.316 58.272 1.044 17835 8201 1 20 . 1 1 22 22 LYS CB C 19 32.202 32.202 31.942 0.260 17835 8202 1 20 . 1 1 22 22 LYS H H 19 8.809 8.809 7.802 1.007 17835 8203 1 20 . 1 1 23 23 ASN N N 20 115.473 115.473 116.859 -1.386 17835 8204 1 20 . 1 1 23 23 ASN HA H 20 5.073 5.073 4.673 0.400 17835 8205 1 20 . 1 1 23 23 ASN C C 20 174.783 174.783 175.650 -0.867 17835 8206 1 20 . 1 1 23 23 ASN CA C 20 52.835 52.835 53.669 -0.834 17835 8207 1 20 . 1 1 23 23 ASN CB C 20 38.540 38.540 38.979 -0.439 17835 8208 1 20 . 1 1 23 23 ASN H H 20 8.784 8.784 8.256 0.528 17835 8209 1 20 . 1 1 24 24 GLY N N 21 107.402 107.402 107.455 -0.053 17835 8210 1 20 . 1 1 24 24 GLY C C 21 172.572 172.572 173.043 -0.471 17835 8211 1 20 . 1 1 24 24 GLY CA C 21 44.739 44.739 44.472 0.267 17835 8212 1 20 . 1 1 24 24 GLY H H 21 7.743 7.743 7.889 -0.146 17835 8213 1 20 . 1 1 25 25 ILE N N 22 117.796 117.796 115.322 2.474 17835 8214 1 20 . 1 1 25 25 ILE HA H 22 4.272 4.272 4.679 -0.407 17835 8215 1 20 . 1 1 25 25 ILE C C 22 175.452 175.452 175.045 0.407 17835 8216 1 20 . 1 1 25 25 ILE CA C 22 59.468 59.468 59.128 0.340 17835 8217 1 20 . 1 1 25 25 ILE CB C 22 41.833 41.833 40.618 1.215 17835 8218 1 20 . 1 1 25 25 ILE H H 22 8.509 8.509 8.025 0.484 17835 8219 1 20 . 1 1 26 26 VAL N N 23 124.597 124.597 121.437 3.160 17835 8220 1 20 . 1 1 26 26 VAL HA H 23 4.585 4.585 4.464 0.121 17835 8221 1 20 . 1 1 26 26 VAL C C 23 177.566 177.566 177.700 -0.134 17835 8222 1 20 . 1 1 26 26 VAL CA C 23 62.227 62.227 62.293 -0.066 17835 8223 1 20 . 1 1 26 26 VAL CB C 23 31.945 31.945 32.215 -0.270 17835 8224 1 20 . 1 1 26 26 VAL H H 23 8.524 8.524 8.318 0.206 17835 8225 1 20 . 1 1 27 27 LEU N N 24 124.858 124.858 122.481 2.377 17835 8226 1 20 . 1 1 27 27 LEU HA H 24 4.011 4.011 4.268 -0.257 17835 8227 1 20 . 1 1 27 27 LEU C C 24 175.569 175.569 176.360 -0.791 17835 8228 1 20 . 1 1 27 27 LEU CA C 24 60.394 60.394 59.055 1.339 17835 8229 1 20 . 1 1 27 27 LEU CB C 24 39.402 39.402 38.808 0.594 17835 8230 1 20 . 1 1 27 27 LEU H H 24 8.816 8.816 8.540 0.276 17835 8231 1 20 . 1 1 28 28 PRO HA H 25 4.401 4.401 4.252 0.149 17835 8232 1 20 . 1 1 28 28 PRO C C 25 177.600 177.600 179.228 -1.628 17835 8233 1 20 . 1 1 28 28 PRO CA C 25 65.549 65.549 65.807 -0.258 17835 8234 1 20 . 1 1 28 28 PRO CB C 25 31.458 31.458 30.815 0.643 17835 8235 1 20 . 1 1 29 29 ARG N N 26 115.136 115.136 119.319 -4.183 17835 8236 1 20 . 1 1 29 29 ARG HA H 26 4.511 4.511 4.089 0.422 17835 8237 1 20 . 1 1 29 29 ARG C C 26 177.152 177.152 178.272 -1.120 17835 8238 1 20 . 1 1 29 29 ARG CA C 26 55.853 55.853 59.337 -3.484 17835 8239 1 20 . 1 1 29 29 ARG CB C 26 30.981 30.981 29.792 1.189 17835 8240 1 20 . 1 1 29 29 ARG H H 26 7.869 7.869 7.698 0.171 17835 8241 1 20 . 1 1 30 30 LEU N N 27 122.984 122.984 121.698 1.286 17835 8242 1 20 . 1 1 30 30 LEU HA H 27 3.842 3.842 3.892 -0.050 17835 8243 1 20 . 1 1 30 30 LEU C C 27 177.872 177.872 178.389 -0.517 17835 8244 1 20 . 1 1 30 30 LEU CA C 27 59.458 59.458 58.879 0.579 17835 8245 1 20 . 1 1 30 30 LEU CB C 27 42.326 42.326 41.960 0.366 17835 8246 1 20 . 1 1 30 30 LEU H H 27 7.870 7.870 8.603 -0.733 17835 8247 1 20 . 1 1 31 31 GLN N N 28 117.382 117.382 117.850 -0.468 17835 8248 1 20 . 1 1 31 31 GLN HA H 28 4.689 4.689 4.004 0.685 17835 8249 1 20 . 1 1 31 31 GLN C C 28 178.888 178.888 179.056 -0.168 17835 8250 1 20 . 1 1 31 31 GLN CA C 28 60.243 60.243 59.635 0.608 17835 8251 1 20 . 1 1 31 31 GLN CB C 28 27.811 27.811 28.309 -0.498 17835 8252 1 20 . 1 1 31 31 GLN H H 28 9.217 9.217 8.058 1.159 17835 8253 1 20 . 1 1 32 32 GLY N N 29 105.066 105.066 107.963 -2.897 17835 8254 1 20 . 1 1 32 32 GLY C C 29 177.579 177.579 176.527 1.052 17835 8255 1 20 . 1 1 32 32 GLY CA C 29 47.254 47.254 47.341 -0.087 17835 8256 1 20 . 1 1 32 32 GLY H H 29 8.680 8.680 8.213 0.467 17835 8257 1 20 . 1 1 33 33 GLU N N 30 121.593 121.593 122.585 -0.992 17835 8258 1 20 . 1 1 33 33 GLU HA H 30 4.274 4.274 4.168 0.106 17835 8259 1 20 . 1 1 33 33 GLU C C 30 179.316 179.316 178.887 0.429 17835 8260 1 20 . 1 1 33 33 GLU CA C 30 59.068 59.068 58.845 0.223 17835 8261 1 20 . 1 1 33 33 GLU CB C 30 29.077 29.077 29.421 -0.344 17835 8262 1 20 . 1 1 33 33 GLU H H 30 8.063 8.063 8.183 -0.120 17835 8263 1 20 . 1 1 34 34 TYR N N 31 123.143 123.143 122.096 1.047 17835 8264 1 20 . 1 1 34 34 TYR HA H 31 4.083 4.083 4.055 0.028 17835 8265 1 20 . 1 1 34 34 TYR C C 31 178.379 178.379 177.336 1.043 17835 8266 1 20 . 1 1 34 34 TYR CA C 31 62.406 62.406 61.603 0.802 17835 8267 1 20 . 1 1 34 34 TYR CB C 31 39.405 39.405 38.498 0.907 17835 8268 1 20 . 1 1 34 34 TYR H H 31 9.063 9.063 8.887 0.176 17835 8269 1 20 . 1 1 35 35 ARG N N 32 123.458 123.458 119.733 3.725 17835 8270 1 20 . 1 1 35 35 ARG HA H 32 4.281 4.281 3.914 0.367 17835 8271 1 20 . 1 1 35 35 ARG C C 32 180.186 180.186 178.954 1.232 17835 8272 1 20 . 1 1 35 35 ARG CA C 32 58.908 58.908 58.733 0.175 17835 8273 1 20 . 1 1 35 35 ARG CB C 32 29.708 29.708 29.561 0.146 17835 8274 1 20 . 1 1 35 35 ARG H H 32 9.321 9.321 8.570 0.751 17835 8275 1 20 . 1 1 36 36 SER N N 33 116.071 116.071 115.471 0.600 17835 8276 1 20 . 1 1 36 36 SER HA H 33 4.048 4.048 4.078 -0.030 17835 8277 1 20 . 1 1 36 36 SER C C 33 175.063 175.063 175.782 -0.719 17835 8278 1 20 . 1 1 36 36 SER CA C 33 61.856 61.856 61.026 0.830 17835 8279 1 20 . 1 1 36 36 SER CB C 33 62.779 62.779 62.953 -0.174 17835 8280 1 20 . 1 1 36 36 SER H H 33 8.078 8.078 7.982 0.096 17835 8281 1 20 . 1 1 37 37 LEU N N 34 118.571 118.571 122.486 -3.915 17835 8282 1 20 . 1 1 37 37 LEU HA H 34 4.342 4.342 4.168 0.174 17835 8283 1 20 . 1 1 37 37 LEU C C 34 178.400 178.400 178.433 -0.033 17835 8284 1 20 . 1 1 37 37 LEU CA C 34 57.073 57.073 57.345 -0.272 17835 8285 1 20 . 1 1 37 37 LEU CB C 34 43.132 43.132 42.252 0.881 17835 8286 1 20 . 1 1 37 37 LEU H H 34 7.167 7.167 7.527 -0.360 17835 8287 1 20 . 1 1 38 38 THR N N 35 106.425 106.425 109.815 -3.390 17835 8288 1 20 . 1 1 38 38 THR HA H 35 4.163 4.163 4.142 0.021 17835 8289 1 20 . 1 1 38 38 THR C C 35 176.259 176.259 176.222 0.037 17835 8290 1 20 . 1 1 38 38 THR CA C 35 62.637 62.637 63.129 -0.492 17835 8291 1 20 . 1 1 38 38 THR CB C 35 71.659 71.659 69.924 1.735 17835 8292 1 20 . 1 1 38 38 THR H H 35 8.168 8.168 7.865 0.303 17835 8293 1 20 . 1 1 39 39 GLY N N 36 112.162 112.162 110.682 1.480 17835 8294 1 20 . 1 1 39 39 GLY C C 36 172.464 172.464 172.869 -0.405 17835 8295 1 20 . 1 1 39 39 GLY CA C 36 45.225 45.225 45.428 -0.203 17835 8296 1 20 . 1 1 39 39 GLY H H 36 8.759 8.759 7.989 0.770 17835 8297 1 20 . 1 1 40 40 ASP N N 37 121.106 121.106 118.410 2.696 17835 8298 1 20 . 1 1 40 40 ASP HA H 37 4.733 4.733 4.696 0.037 17835 8299 1 20 . 1 1 40 40 ASP C C 37 173.861 173.861 174.146 -0.285 17835 8300 1 20 . 1 1 40 40 ASP CA C 37 52.159 52.159 51.902 0.257 17835 8301 1 20 . 1 1 40 40 ASP CB C 37 44.573 44.573 43.470 1.103 17835 8302 1 20 . 1 1 40 40 ASP H H 37 8.414 8.414 7.424 0.990 17835 8303 1 20 . 1 1 41 41 TRP N N 38 115.206 115.206 120.678 -5.472 17835 8304 1 20 . 1 1 41 41 TRP HA H 38 5.107 5.107 4.839 0.268 17835 8305 1 20 . 1 1 41 41 TRP C C 38 177.125 177.125 177.796 -0.671 17835 8306 1 20 . 1 1 41 41 TRP CA C 38 54.889 54.889 56.409 -1.520 17835 8307 1 20 . 1 1 41 41 TRP CB C 38 31.592 31.592 30.751 0.841 17835 8308 1 20 . 1 1 41 41 TRP H H 38 8.016 8.016 8.327 -0.311 17835 8309 1 20 . 1 1 42 42 ILE N N 39 123.723 123.723 123.342 0.381 17835 8310 1 20 . 1 1 42 42 ILE HA H 39 3.512 3.512 3.640 -0.128 17835 8311 1 20 . 1 1 42 42 ILE C C 39 177.199 177.199 176.058 1.141 17835 8312 1 20 . 1 1 42 42 ILE CA C 39 60.467 60.467 60.373 0.094 17835 8313 1 20 . 1 1 42 42 ILE CB C 39 38.133 38.133 36.819 1.314 17835 8314 1 20 . 1 1 42 42 ILE H H 39 10.079 10.079 9.227 0.852 17835 8315 1 20 . 1 1 43 43 PRO HA H 40 4.600 4.600 4.707 -0.107 17835 8316 1 20 . 1 1 43 43 PRO C C 40 174.997 174.997 176.840 -1.843 17835 8317 1 20 . 1 1 43 43 PRO CA C 40 62.511 62.511 62.369 0.142 17835 8318 1 20 . 1 1 43 43 PRO CB C 40 27.857 27.857 29.316 -1.459 17835 8319 1 20 . 1 1 44 44 PHE N N 41 118.808 118.808 120.182 -1.374 17835 8320 1 20 . 1 1 44 44 PHE HA H 41 3.737 3.737 4.245 -0.508 17835 8321 1 20 . 1 1 44 44 PHE C C 41 175.891 175.891 176.753 -0.862 17835 8322 1 20 . 1 1 44 44 PHE CA C 41 60.911 60.911 61.884 -0.973 17835 8323 1 20 . 1 1 44 44 PHE CB C 41 38.412 38.412 37.623 0.789 17835 8324 1 20 . 1 1 44 44 PHE H H 41 7.647 7.647 7.947 -0.300 17835 8325 1 20 . 1 1 45 45 LYS N N 42 123.543 123.543 119.869 3.674 17835 8326 1 20 . 1 1 45 45 LYS HA H 42 4.763 4.763 4.097 0.666 17835 8327 1 20 . 1 1 45 45 LYS C C 42 181.828 181.828 178.675 3.153 17835 8328 1 20 . 1 1 45 45 LYS CA C 42 58.959 58.959 58.623 0.335 17835 8329 1 20 . 1 1 45 45 LYS CB C 42 31.599 31.599 31.576 0.023 17835 8330 1 20 . 1 1 45 45 LYS H H 42 7.387 7.387 7.263 0.124 17835 8331 1 20 . 1 1 46 46 GLN N N 43 123.171 123.171 118.246 4.925 17835 8332 1 20 . 1 1 46 46 GLN HA H 43 3.896 3.896 4.004 -0.108 17835 8333 1 20 . 1 1 46 46 GLN C C 43 178.167 178.167 177.932 0.235 17835 8334 1 20 . 1 1 46 46 GLN CA C 43 59.066 59.066 58.416 0.650 17835 8335 1 20 . 1 1 46 46 GLN CB C 43 27.702 27.702 28.257 -0.555 17835 8336 1 20 . 1 1 46 46 GLN H H 43 8.567 8.567 7.887 0.680 17835 8337 1 20 . 1 1 47 47 LEU N N 44 116.472 116.472 118.322 -1.850 17835 8338 1 20 . 1 1 47 47 LEU HA H 44 4.255 4.255 4.218 0.037 17835 8339 1 20 . 1 1 47 47 LEU C C 44 176.103 176.103 178.018 -1.915 17835 8340 1 20 . 1 1 47 47 LEU CA C 44 55.308 55.308 55.882 -0.574 17835 8341 1 20 . 1 1 47 47 LEU CB C 44 41.374 41.374 42.881 -1.507 17835 8342 1 20 . 1 1 47 47 LEU H H 44 7.544 7.544 8.215 -0.671 17835 8343 1 20 . 1 1 48 48 GLY N N 45 104.932 104.932 103.984 0.948 17835 8344 1 20 . 1 1 48 48 GLY C C 45 173.844 173.844 174.413 -0.569 17835 8345 1 20 . 1 1 48 48 GLY CA C 45 44.826 44.826 44.420 0.406 17835 8346 1 20 . 1 1 48 48 GLY H H 45 7.741 7.741 7.874 -0.133 17835 8347 1 20 . 1 1 49 49 TYR N N 46 119.946 119.946 121.021 -1.075 17835 8348 1 20 . 1 1 49 49 TYR HA H 46 4.839 4.839 4.857 -0.018 17835 8349 1 20 . 1 1 49 49 TYR C C 46 174.575 174.575 174.967 -0.392 17835 8350 1 20 . 1 1 49 49 TYR CA C 46 56.349 56.349 56.038 0.311 17835 8351 1 20 . 1 1 49 49 TYR CB C 46 41.464 41.464 38.401 3.062 17835 8352 1 20 . 1 1 49 49 TYR H H 46 8.332 8.332 7.944 0.388 17835 8353 1 20 . 1 1 50 50 PRO HA H 47 4.556 4.556 4.465 0.091 17835 8354 1 20 . 1 1 50 50 PRO C C 47 177.125 177.125 176.906 0.219 17835 8355 1 20 . 1 1 50 50 PRO CA C 47 64.115 64.115 64.519 -0.404 17835 8356 1 20 . 1 1 50 50 PRO CB C 47 32.152 32.152 31.916 0.236 17835 8357 1 20 . 1 1 51 51 THR N N 48 105.643 105.643 107.430 -1.787 17835 8358 1 20 . 1 1 51 51 THR HA H 48 4.129 4.129 4.328 -0.199 17835 8359 1 20 . 1 1 51 51 THR C C 48 173.270 173.270 174.649 -1.379 17835 8360 1 20 . 1 1 51 51 THR CA C 48 58.738 58.738 59.855 -1.117 17835 8361 1 20 . 1 1 51 51 THR CB C 48 73.254 73.254 71.504 1.750 17835 8362 1 20 . 1 1 51 51 THR H H 48 6.939 6.939 7.482 -0.543 17835 8363 1 20 . 1 1 52 52 LEU N N 49 121.743 121.743 122.712 -0.969 17835 8364 1 20 . 1 1 52 52 LEU HA H 49 3.325 3.325 3.860 -0.535 17835 8365 1 20 . 1 1 52 52 LEU C C 49 178.195 178.195 178.681 -0.486 17835 8366 1 20 . 1 1 52 52 LEU CA C 49 57.551 57.551 57.723 -0.172 17835 8367 1 20 . 1 1 52 52 LEU CB C 49 40.517 40.517 40.537 -0.020 17835 8368 1 20 . 1 1 52 52 LEU H H 49 7.849 7.849 8.134 -0.285 17835 8369 1 20 . 1 1 53 53 GLU N N 50 118.706 118.706 118.847 -0.141 17835 8370 1 20 . 1 1 53 53 GLU HA H 50 3.411 3.411 3.894 -0.483 17835 8371 1 20 . 1 1 53 53 GLU C C 50 176.853 176.853 178.541 -1.688 17835 8372 1 20 . 1 1 53 53 GLU CA C 50 60.720 60.720 59.363 1.357 17835 8373 1 20 . 1 1 53 53 GLU CB C 50 28.696 28.696 28.743 -0.047 17835 8374 1 20 . 1 1 53 53 GLU H H 50 8.981 8.981 8.732 0.249 17835 8375 1 20 . 1 1 54 54 ALA N N 51 119.673 119.673 122.676 -3.003 17835 8376 1 20 . 1 1 54 54 ALA HA H 51 3.885 3.885 4.021 -0.136 17835 8377 1 20 . 1 1 54 54 ALA C C 51 180.232 180.232 179.377 0.855 17835 8378 1 20 . 1 1 54 54 ALA CA C 51 55.127 55.127 55.044 0.083 17835 8379 1 20 . 1 1 54 54 ALA CB C 51 18.345 18.345 18.469 -0.124 17835 8380 1 20 . 1 1 54 54 ALA H H 51 8.001 8.001 7.778 0.223 17835 8381 1 20 . 1 1 55 55 TYR N N 52 117.474 117.474 120.181 -2.707 17835 8382 1 20 . 1 1 55 55 TYR HA H 52 2.898 2.898 3.252 -0.354 17835 8383 1 20 . 1 1 55 55 TYR C C 52 178.563 178.563 177.248 1.315 17835 8384 1 20 . 1 1 55 55 TYR CA C 52 59.876 59.876 61.201 -1.325 17835 8385 1 20 . 1 1 55 55 TYR CB C 52 37.365 37.365 38.260 -0.895 17835 8386 1 20 . 1 1 55 55 TYR H H 52 7.218 7.218 7.944 -0.726 17835 8387 1 20 . 1 1 56 56 LEU N N 53 121.106 121.106 117.519 3.587 17835 8388 1 20 . 1 1 56 56 LEU HA H 53 3.221 3.221 3.715 -0.494 17835 8389 1 20 . 1 1 56 56 LEU C C 53 179.706 179.706 179.287 0.419 17835 8390 1 20 . 1 1 56 56 LEU CA C 53 57.334 57.334 57.355 -0.021 17835 8391 1 20 . 1 1 56 56 LEU CB C 53 40.788 40.788 41.654 -0.866 17835 8392 1 20 . 1 1 56 56 LEU H H 53 8.440 8.440 7.978 0.462 17835 8393 1 20 . 1 1 57 57 ARG N N 54 116.303 116.303 120.116 -3.813 17835 8394 1 20 . 1 1 57 57 ARG HA H 54 3.722 3.722 4.013 -0.291 17835 8395 1 20 . 1 1 57 57 ARG C C 54 176.071 176.071 177.798 -1.727 17835 8396 1 20 . 1 1 57 57 ARG CA C 54 58.463 58.463 58.622 -0.159 17835 8397 1 20 . 1 1 57 57 ARG CB C 54 29.735 29.735 29.925 -0.190 17835 8398 1 20 . 1 1 57 57 ARG H H 54 7.998 7.998 8.591 -0.593 17835 8399 1 20 . 1 1 58 58 SER N N 55 115.365 115.365 113.013 2.352 17835 8400 1 20 . 1 1 58 58 SER HA H 55 4.357 4.357 4.372 -0.015 17835 8401 1 20 . 1 1 58 58 SER C C 55 173.970 173.970 173.931 0.039 17835 8402 1 20 . 1 1 58 58 SER CA C 55 59.762 59.762 60.136 -0.374 17835 8403 1 20 . 1 1 58 58 SER CB C 55 63.886 63.886 63.306 0.580 17835 8404 1 20 . 1 1 58 58 SER H H 55 7.491 7.491 7.548 -0.057 17835 8405 1 20 . 1 1 59 59 VAL N N 56 113.059 113.059 119.793 -6.734 17835 8406 1 20 . 1 1 59 59 VAL HA H 56 5.090 5.090 4.530 0.560 17835 8407 1 20 . 1 1 59 59 VAL C C 56 174.276 174.276 173.793 0.483 17835 8408 1 20 . 1 1 59 59 VAL CA C 56 58.444 58.444 58.811 -0.367 17835 8409 1 20 . 1 1 59 59 VAL CB C 56 31.559 31.559 32.727 -1.167 17835 8410 1 20 . 1 1 59 59 VAL H H 56 6.729 6.729 6.968 -0.239 17835 8411 1 20 . 1 1 60 60 PRO HA H 57 4.902 4.902 4.713 0.189 17835 8412 1 20 . 1 1 60 60 PRO C C 57 177.563 177.563 177.163 0.400 17835 8413 1 20 . 1 1 60 60 PRO CA C 57 64.541 64.541 64.593 -0.051 17835 8414 1 20 . 1 1 60 60 PRO CB C 57 31.768 31.768 31.733 0.035 17835 8415 1 20 . 1 1 61 61 ALA N N 58 120.004 120.004 119.650 0.354 17835 8416 1 20 . 1 1 61 61 ALA HA H 58 4.327 4.327 4.255 0.072 17835 8417 1 20 . 1 1 61 61 ALA C C 58 177.191 177.191 177.665 -0.474 17835 8418 1 20 . 1 1 61 61 ALA CA C 58 52.795 52.795 53.565 -0.770 17835 8419 1 20 . 1 1 61 61 ALA CB C 58 18.427 18.427 19.231 -0.804 17835 8420 1 20 . 1 1 61 61 ALA H H 58 8.397 8.397 8.156 0.241 17835 8421 1 20 . 1 1 62 62 VAL N N 59 116.635 116.635 113.865 2.770 17835 8422 1 20 . 1 1 62 62 VAL HA H 59 4.032 4.032 4.353 -0.321 17835 8423 1 20 . 1 1 62 62 VAL C C 59 174.238 174.238 174.650 -0.412 17835 8424 1 20 . 1 1 62 62 VAL CA C 59 63.741 63.741 63.361 0.380 17835 8425 1 20 . 1 1 62 62 VAL CB C 59 34.115 34.115 34.788 -0.673 17835 8426 1 20 . 1 1 62 62 VAL H H 59 8.080 8.080 7.624 0.456 17835 8427 1 20 . 1 1 63 63 VAL N N 60 117.153 117.153 118.447 -1.294 17835 8428 1 20 . 1 1 63 63 VAL HA H 60 4.911 4.911 4.715 0.196 17835 8429 1 20 . 1 1 63 63 VAL C C 60 172.258 172.258 173.693 -1.435 17835 8430 1 20 . 1 1 63 63 VAL CA C 60 59.006 59.006 60.407 -1.401 17835 8431 1 20 . 1 1 63 63 VAL CB C 60 35.461 35.461 36.394 -0.933 17835 8432 1 20 . 1 1 63 63 VAL H H 60 7.791 7.791 8.157 -0.366 17835 8433 1 20 . 1 1 64 64 ARG N N 61 129.658 129.658 122.129 7.529 17835 8434 1 20 . 1 1 64 64 ARG HA H 61 4.727 4.727 4.951 -0.224 17835 8435 1 20 . 1 1 64 64 ARG C C 61 174.437 174.437 173.621 0.816 17835 8436 1 20 . 1 1 64 64 ARG CA C 61 54.117 54.117 55.339 -1.222 17835 8437 1 20 . 1 1 64 64 ARG CB C 61 32.754 32.754 34.688 -1.933 17835 8438 1 20 . 1 1 64 64 ARG H H 61 9.208 9.208 8.968 0.240 17835 8439 1 20 . 1 1 65 65 ILE N N 62 125.775 125.775 118.234 7.541 17835 8440 1 20 . 1 1 65 65 ILE HA H 62 4.917 4.917 5.355 -0.438 17835 8441 1 20 . 1 1 65 65 ILE C C 62 175.842 175.842 174.536 1.306 17835 8442 1 20 . 1 1 65 65 ILE CA C 62 59.545 59.545 59.858 -0.313 17835 8443 1 20 . 1 1 65 65 ILE CB C 62 39.645 39.645 42.406 -2.761 17835 8444 1 20 . 1 1 65 65 ILE H H 62 8.736 8.736 8.318 0.418 17835 8445 1 20 . 1 1 66 66 GLU N N 63 127.114 127.114 123.046 4.068 17835 8446 1 20 . 1 1 66 66 GLU HA H 63 4.677 4.677 4.721 -0.044 17835 8447 1 20 . 1 1 66 66 GLU C C 63 174.409 174.409 175.282 -0.873 17835 8448 1 20 . 1 1 66 66 GLU CA C 63 54.791 54.791 55.343 -0.552 17835 8449 1 20 . 1 1 66 66 GLU CB C 63 33.078 33.078 32.662 0.416 17835 8450 1 20 . 1 1 66 66 GLU H H 63 9.197 9.197 9.141 0.056 17835 8451 1 20 . 1 1 67 67 ALA N N 64 127.913 127.913 129.862 -1.949 17835 8452 1 20 . 1 1 67 67 ALA HA H 64 5.026 5.026 4.658 0.368 17835 8453 1 20 . 1 1 67 67 ALA C C 64 177.717 177.717 177.256 0.461 17835 8454 1 20 . 1 1 67 67 ALA CA C 64 51.070 51.070 51.799 -0.729 17835 8455 1 20 . 1 1 67 67 ALA CB C 64 19.550 19.550 18.851 0.699 17835 8456 1 20 . 1 1 67 67 ALA H H 64 8.779 8.779 8.649 0.130 17835 8457 1 20 . 1 1 68 68 SER N N 65 119.364 119.364 120.334 -0.970 17835 8458 1 20 . 1 1 68 68 SER HA H 65 4.665 4.665 4.470 0.195 17835 8459 1 20 . 1 1 68 68 SER C C 65 176.518 176.518 176.657 -0.139 17835 8460 1 20 . 1 1 68 68 SER CA C 65 57.096 57.096 56.975 0.121 17835 8461 1 20 . 1 1 68 68 SER CB C 65 65.234 65.234 64.291 0.943 17835 8462 1 20 . 1 1 68 68 SER H H 65 8.951 8.951 8.526 0.425 17835 8463 1 20 . 1 1 69 69 ARG N N 66 123.143 123.143 126.330 -3.187 17835 8464 1 20 . 1 1 69 69 ARG HA H 66 4.153 4.153 4.193 -0.040 17835 8465 1 20 . 1 1 69 69 ARG C C 66 177.356 177.356 176.627 0.729 17835 8466 1 20 . 1 1 69 69 ARG CA C 66 58.973 58.973 57.562 1.411 17835 8467 1 20 . 1 1 69 69 ARG CB C 66 29.659 29.659 29.518 0.141 17835 8468 1 20 . 1 1 69 69 ARG H H 66 9.075 9.075 8.925 0.150 17835 8469 1 20 . 1 1 70 70 SER N N 67 112.081 112.081 115.266 -3.185 17835 8470 1 20 . 1 1 70 70 SER HA H 67 4.416 4.416 4.375 0.041 17835 8471 1 20 . 1 1 70 70 SER C C 67 175.146 175.146 175.648 -0.502 17835 8472 1 20 . 1 1 70 70 SER CA C 67 58.413 58.413 58.727 -0.314 17835 8473 1 20 . 1 1 70 70 SER CB C 67 63.477 63.477 63.661 -0.184 17835 8474 1 20 . 1 1 70 70 SER H H 67 8.083 8.083 7.858 0.225 17835 8475 1 20 . 1 1 71 71 GLY N N 68 110.519 110.519 108.618 1.901 17835 8476 1 20 . 1 1 71 71 GLY C C 68 174.116 174.116 174.227 -0.111 17835 8477 1 20 . 1 1 71 71 GLY CA C 68 45.114 45.114 45.082 0.032 17835 8478 1 20 . 1 1 71 71 GLY H H 68 7.974 7.974 7.880 0.094 17835 8479 1 20 . 1 1 72 72 GLU N N 69 120.663 120.663 121.496 -0.833 17835 8480 1 20 . 1 1 72 72 GLU HA H 69 4.289 4.289 4.475 -0.186 17835 8481 1 20 . 1 1 72 72 GLU C C 69 175.352 175.352 175.447 -0.095 17835 8482 1 20 . 1 1 72 72 GLU CA C 69 56.082 56.082 55.454 0.628 17835 8483 1 20 . 1 1 72 72 GLU CB C 69 30.517 30.517 30.769 -0.252 17835 8484 1 20 . 1 1 72 72 GLU H H 69 7.630 7.630 8.102 -0.472 17835 8485 1 20 . 1 1 73 73 ILE N N 70 125.775 125.775 122.513 3.262 17835 8486 1 20 . 1 1 73 73 ILE HA H 70 4.367 4.367 4.805 -0.438 17835 8487 1 20 . 1 1 73 73 ILE C C 70 174.613 174.613 174.062 0.551 17835 8488 1 20 . 1 1 73 73 ILE CA C 70 60.876 60.876 59.797 1.079 17835 8489 1 20 . 1 1 73 73 ILE CB C 70 37.465 37.465 40.059 -2.594 17835 8490 1 20 . 1 1 73 73 ILE H H 70 8.753 8.753 8.367 0.386 17835 8491 1 20 . 1 1 74 74 VAL N N 71 128.300 128.300 129.320 -1.020 17835 8492 1 20 . 1 1 74 74 VAL HA H 71 4.153 4.153 4.157 -0.004 17835 8493 1 20 . 1 1 74 74 VAL C C 71 173.544 173.544 174.799 -1.255 17835 8494 1 20 . 1 1 74 74 VAL CA C 71 61.736 61.736 61.586 0.150 17835 8495 1 20 . 1 1 74 74 VAL CB C 71 33.763 33.763 32.606 1.157 17835 8496 1 20 . 1 1 74 74 VAL H H 71 8.724 8.724 8.915 -0.191 17835 8497 1 20 . 1 1 75 75 CYS N N 72 122.823 122.823 124.643 -1.820 17835 8498 1 20 . 1 1 75 75 CYS HA H 72 4.948 4.948 5.010 -0.062 17835 8499 1 20 . 1 1 75 75 CYS C C 72 173.200 173.200 173.765 -0.565 17835 8500 1 20 . 1 1 75 75 CYS CA C 72 57.176 57.176 57.902 -0.726 17835 8501 1 20 . 1 1 75 75 CYS CB C 72 29.712 29.712 29.753 -0.041 17835 8502 1 20 . 1 1 75 75 CYS H H 72 8.200 8.200 8.628 -0.428 17835 8503 1 20 . 1 1 76 76 TYR N N 73 119.584 119.584 119.234 0.350 17835 8504 1 20 . 1 1 76 76 TYR HA H 73 5.013 5.013 4.777 0.236 17835 8505 1 20 . 1 1 76 76 TYR C C 73 175.779 175.779 174.827 0.952 17835 8506 1 20 . 1 1 76 76 TYR CA C 73 56.289 56.289 57.052 -0.763 17835 8507 1 20 . 1 1 76 76 TYR CB C 73 42.505 42.505 43.127 -0.622 17835 8508 1 20 . 1 1 76 76 TYR H H 73 9.265 9.265 9.315 -0.050 17835 8509 1 20 . 1 1 77 77 ALA N N 74 122.844 122.844 121.945 0.899 17835 8510 1 20 . 1 1 77 77 ALA HA H 74 4.423 4.423 4.693 -0.270 17835 8511 1 20 . 1 1 77 77 ALA C C 74 177.907 177.907 175.812 2.095 17835 8512 1 20 . 1 1 77 77 ALA CA C 74 52.151 52.151 51.073 1.078 17835 8513 1 20 . 1 1 77 77 ALA CB C 74 18.915 18.915 21.099 -2.184 17835 8514 1 20 . 1 1 77 77 ALA H H 74 9.145 9.145 8.968 0.177 17835 8515 1 20 . 1 1 78 78 VAL N N 75 123.434 123.434 116.675 6.759 17835 8516 1 20 . 1 1 78 78 VAL HA H 75 3.826 3.826 4.380 -0.554 17835 8517 1 20 . 1 1 78 78 VAL C C 75 174.995 174.995 174.800 0.195 17835 8518 1 20 . 1 1 78 78 VAL CA C 75 63.379 63.379 61.871 1.508 17835 8519 1 20 . 1 1 78 78 VAL CB C 75 32.715 32.715 34.646 -1.931 17835 8520 1 20 . 1 1 78 78 VAL H H 75 7.894 7.894 8.696 -0.802 17835 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 70 3.022 -0.196 3.037 17835 2 1 1 "Average Difference" HA 79 0.294 -0.030 0.294 17835 3 1 1 "Average Difference" C 74 1.029 0.069 1.034 17835 4 1 1 "Average Difference" CA 74 0.966 0.051 0.971 17835 5 1 1 "Average Difference" CB 69 1.110 0.045 1.117 17835 6 1 1 "Average Difference" HN 70 0.485 -0.083 0.481 17835 7 1 2 "Average Difference" N 70 2.953 -0.270 2.962 17835 8 1 2 "Average Difference" HA 79 0.297 -0.035 0.297 17835 9 1 2 "Average Difference" C 74 1.025 0.036 1.031 17835 10 1 2 "Average Difference" CA 74 0.884 0.027 0.889 17835 11 1 2 "Average Difference" CB 69 1.067 0.118 1.069 17835 12 1 2 "Average Difference" HN 70 0.467 -0.056 0.466 17835 13 1 3 "Average Difference" N 70 3.006 -0.186 3.021 17835 14 1 3 "Average Difference" HA 79 0.304 -0.034 0.304 17835 15 1 3 "Average Difference" C 74 1.024 0.051 1.030 17835 16 1 3 "Average Difference" CA 74 0.927 0.028 0.933 17835 17 1 3 "Average Difference" CB 69 1.134 0.075 1.140 17835 18 1 3 "Average Difference" HN 70 0.501 -0.076 0.498 17835 19 1 4 "Average Difference" N 70 3.035 -0.156 3.053 17835 20 1 4 "Average Difference" HA 79 0.302 -0.027 0.303 17835 21 1 4 "Average Difference" C 74 0.991 0.058 0.996 17835 22 1 4 "Average Difference" CA 74 0.963 0.044 0.968 17835 23 1 4 "Average Difference" CB 69 1.111 0.089 1.116 17835 24 1 4 "Average Difference" HN 70 0.477 -0.054 0.477 17835 25 1 5 "Average Difference" N 70 3.017 -0.214 3.031 17835 26 1 5 "Average Difference" HA 79 0.304 -0.035 0.303 17835 27 1 5 "Average Difference" C 74 0.995 0.053 1.000 17835 28 1 5 "Average Difference" CA 74 0.959 0.043 0.965 17835 29 1 5 "Average Difference" CB 69 1.127 0.130 1.127 17835 30 1 5 "Average Difference" HN 70 0.466 -0.070 0.464 17835 31 1 6 "Average Difference" N 70 2.950 -0.314 2.954 17835 32 1 6 "Average Difference" HA 79 0.304 -0.038 0.304 17835 33 1 6 "Average Difference" C 74 1.003 0.038 1.009 17835 34 1 6 "Average Difference" CA 74 0.928 0.063 0.932 17835 35 1 6 "Average Difference" CB 69 1.140 0.120 1.142 17835 36 1 6 "Average Difference" HN 70 0.464 -0.085 0.459 17835 37 1 7 "Average Difference" N 70 3.025 -0.232 3.038 17835 38 1 7 "Average Difference" HA 79 0.309 -0.034 0.309 17835 39 1 7 "Average Difference" C 74 1.060 0.027 1.067 17835 40 1 7 "Average Difference" CA 74 0.945 0.026 0.951 17835 41 1 7 "Average Difference" CB 69 1.145 0.117 1.148 17835 42 1 7 "Average Difference" HN 70 0.494 -0.078 0.491 17835 43 1 8 "Average Difference" N 70 2.916 -0.246 2.927 17835 44 1 8 "Average Difference" HA 79 0.292 -0.021 0.293 17835 45 1 8 "Average Difference" C 74 1.023 0.090 1.026 17835 46 1 8 "Average Difference" CA 74 0.978 0.045 0.983 17835 47 1 8 "Average Difference" CB 69 1.077 0.080 1.081 17835 48 1 8 "Average Difference" HN 70 0.483 -0.063 0.482 17835 49 1 9 "Average Difference" N 70 3.006 -0.136 3.024 17835 50 1 9 "Average Difference" HA 79 0.296 -0.035 0.296 17835 51 1 9 "Average Difference" C 74 1.021 0.106 1.023 17835 52 1 9 "Average Difference" CA 74 0.937 0.065 0.941 17835 53 1 9 "Average Difference" CB 69 1.095 0.039 1.102 17835 54 1 9 "Average Difference" HN 70 0.482 -0.063 0.482 17835 55 1 10 "Average Difference" N 70 2.979 -0.186 2.995 17835 56 1 10 "Average Difference" HA 79 0.302 -0.024 0.303 17835 57 1 10 "Average Difference" C 74 1.064 0.112 1.065 17835 58 1 10 "Average Difference" CA 74 0.957 0.047 0.962 17835 59 1 10 "Average Difference" CB 69 1.164 0.051 1.171 17835 60 1 10 "Average Difference" HN 70 0.489 -0.064 0.489 17835 61 1 11 "Average Difference" N 70 2.984 -0.230 2.996 17835 62 1 11 "Average Difference" HA 79 0.306 -0.030 0.307 17835 63 1 11 "Average Difference" C 74 1.017 0.009 1.024 17835 64 1 11 "Average Difference" CA 74 0.938 -0.014 0.945 17835 65 1 11 "Average Difference" CB 69 1.115 0.154 1.113 17835 66 1 11 "Average Difference" HN 70 0.495 -0.073 0.493 17835 67 1 12 "Average Difference" N 70 2.943 -0.219 2.956 17835 68 1 12 "Average Difference" HA 79 0.295 -0.030 0.296 17835 69 1 12 "Average Difference" C 74 1.015 0.036 1.021 17835 70 1 12 "Average Difference" CA 74 0.939 -0.000 0.945 17835 71 1 12 "Average Difference" CB 69 1.142 0.130 1.143 17835 72 1 12 "Average Difference" HN 70 0.479 -0.069 0.477 17835 73 1 13 "Average Difference" N 70 2.911 -0.268 2.920 17835 74 1 13 "Average Difference" HA 79 0.300 -0.030 0.301 17835 75 1 13 "Average Difference" C 74 1.035 0.054 1.040 17835 76 1 13 "Average Difference" CA 74 0.960 0.076 0.963 17835 77 1 13 "Average Difference" CB 69 1.085 0.088 1.090 17835 78 1 13 "Average Difference" HN 70 0.477 -0.059 0.477 17835 79 1 14 "Average Difference" N 70 2.974 -0.181 2.990 17835 80 1 14 "Average Difference" HA 79 0.293 -0.018 0.295 17835 81 1 14 "Average Difference" C 74 1.033 0.078 1.037 17835 82 1 14 "Average Difference" CA 74 0.935 0.038 0.941 17835 83 1 14 "Average Difference" CB 69 1.141 0.053 1.148 17835 84 1 14 "Average Difference" HN 70 0.477 -0.054 0.477 17835 85 1 15 "Average Difference" N 70 2.924 -0.187 2.939 17835 86 1 15 "Average Difference" HA 79 0.299 -0.030 0.300 17835 87 1 15 "Average Difference" C 74 1.005 0.064 1.010 17835 88 1 15 "Average Difference" CA 74 0.981 0.058 0.986 17835 89 1 15 "Average Difference" CB 69 1.099 0.113 1.101 17835 90 1 15 "Average Difference" HN 70 0.449 -0.059 0.448 17835 91 1 16 "Average Difference" N 70 3.024 -0.186 3.040 17835 92 1 16 "Average Difference" HA 79 0.293 -0.030 0.293 17835 93 1 16 "Average Difference" C 74 1.005 0.058 1.011 17835 94 1 16 "Average Difference" CA 74 0.925 0.049 0.930 17835 95 1 16 "Average Difference" CB 69 1.124 0.039 1.131 17835 96 1 16 "Average Difference" HN 70 0.477 -0.066 0.476 17835 97 1 17 "Average Difference" N 70 2.910 -0.223 2.922 17835 98 1 17 "Average Difference" HA 79 0.297 -0.034 0.297 17835 99 1 17 "Average Difference" C 74 0.984 0.022 0.991 17835 100 1 17 "Average Difference" CA 74 0.908 0.042 0.913 17835 101 1 17 "Average Difference" CB 69 1.080 0.127 1.080 17835 102 1 17 "Average Difference" HN 70 0.451 -0.054 0.451 17835 103 1 18 "Average Difference" N 70 3.005 -0.206 3.019 17835 104 1 18 "Average Difference" HA 79 0.294 -0.031 0.294 17835 105 1 18 "Average Difference" C 74 1.005 0.052 1.011 17835 106 1 18 "Average Difference" CA 74 0.937 0.010 0.943 17835 107 1 18 "Average Difference" CB 69 1.102 0.083 1.107 17835 108 1 18 "Average Difference" HN 70 0.496 -0.065 0.495 17835 109 1 19 "Average Difference" N 70 2.986 -0.181 3.002 17835 110 1 19 "Average Difference" HA 79 0.302 -0.031 0.303 17835 111 1 19 "Average Difference" C 74 1.031 0.054 1.037 17835 112 1 19 "Average Difference" CA 74 1.003 0.059 1.008 17835 113 1 19 "Average Difference" CB 69 1.129 0.107 1.132 17835 114 1 19 "Average Difference" HN 70 0.473 -0.054 0.474 17835 115 1 20 "Average Difference" N 70 2.929 -0.153 2.946 17835 116 1 20 "Average Difference" HA 79 0.295 -0.036 0.295 17835 117 1 20 "Average Difference" C 74 0.974 0.062 0.979 17835 118 1 20 "Average Difference" CA 74 0.937 0.100 0.938 17835 119 1 20 "Average Difference" CB 69 1.034 0.066 1.040 17835 120 1 20 "Average Difference" HN 70 0.466 -0.066 0.464 17835 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 17835 _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 5 5 LEU N N 2 124.907 124.907 122.202 2.705 17835 2 1 . 1 1 5 5 LEU HA H 2 4.299 4.299 4.402 -0.103 17835 3 1 . 1 1 5 5 LEU C C 2 177.892 177.892 178.066 -0.174 17835 4 1 . 1 1 5 5 LEU CA C 2 55.749 55.749 54.603 1.146 17835 5 1 . 1 1 5 5 LEU CB C 2 42.001 42.001 42.534 -0.533 17835 6 1 . 1 1 5 5 LEU H H 2 8.636 8.636 8.458 0.178 17835 7 1 . 1 1 6 6 GLU N N 3 122.649 122.649 122.397 0.252 17835 8 1 . 1 1 6 6 GLU HA H 3 4.172 4.172 3.958 0.214 17835 9 1 . 1 1 6 6 GLU C C 3 177.481 177.481 178.505 -1.024 17835 10 1 . 1 1 6 6 GLU CA C 3 58.106 58.106 60.083 -1.977 17835 11 1 . 1 1 6 6 GLU CB C 3 28.874 28.874 29.771 -0.897 17835 12 1 . 1 1 6 6 GLU H H 3 8.594 8.594 8.985 -0.391 17835 13 1 . 1 1 7 7 ALA N N 4 121.929 121.929 121.069 0.860 17835 14 1 . 1 1 7 7 ALA HA H 4 3.944 3.944 4.190 -0.246 17835 15 1 . 1 1 7 7 ALA C C 4 180.419 180.419 179.406 1.013 17835 16 1 . 1 1 7 7 ALA CA C 4 55.686 55.686 55.078 0.608 17835 17 1 . 1 1 7 7 ALA CB C 4 18.587 18.587 18.038 0.549 17835 18 1 . 1 1 7 7 ALA H H 4 8.744 8.744 8.385 0.359 17835 19 1 . 1 1 8 8 ASP N N 5 117.514 117.514 119.643 -2.129 17835 20 1 . 1 1 8 8 ASP HA H 5 4.482 4.482 4.510 -0.028 17835 21 1 . 1 1 8 8 ASP C C 5 178.010 178.010 178.176 -0.166 17835 22 1 . 1 1 8 8 ASP CA C 5 56.603 56.603 56.806 -0.203 17835 23 1 . 1 1 8 8 ASP CB C 5 40.353 40.353 40.744 -0.391 17835 24 1 . 1 1 8 8 ASP H H 5 8.071 8.071 8.182 -0.111 17835 25 1 . 1 1 9 9 LEU N N 6 122.640 122.640 121.450 1.190 17835 26 1 . 1 1 9 9 LEU HA H 6 4.165 4.165 4.040 0.125 17835 27 1 . 1 1 9 9 LEU C C 6 178.699 178.699 178.598 0.101 17835 28 1 . 1 1 9 9 LEU CA C 6 57.986 57.986 58.253 -0.267 17835 29 1 . 1 1 9 9 LEU CB C 6 41.675 41.675 42.143 -0.468 17835 30 1 . 1 1 9 9 LEU H H 6 7.713 7.713 8.311 -0.598 17835 31 1 . 1 1 10 10 VAL N N 7 119.303 119.303 115.413 3.890 17835 32 1 . 1 1 10 10 VAL HA H 7 4.025 4.025 3.805 0.220 17835 33 1 . 1 1 10 10 VAL C C 7 178.570 178.570 177.917 0.653 17835 34 1 . 1 1 10 10 VAL CA C 7 65.683 65.683 66.679 -0.996 17835 35 1 . 1 1 10 10 VAL CB C 7 31.841 31.841 31.249 0.592 17835 36 1 . 1 1 10 10 VAL H H 7 8.115 8.115 8.154 -0.039 17835 37 1 . 1 1 11 11 SER N N 8 113.146 113.146 118.589 -5.443 17835 38 1 . 1 1 11 11 SER HA H 8 4.042 4.042 4.297 -0.255 17835 39 1 . 1 1 11 11 SER C C 8 176.364 176.364 176.774 -0.410 17835 40 1 . 1 1 11 11 SER CA C 8 62.600 62.600 62.677 -0.077 17835 41 1 . 1 1 11 11 SER CB C 8 61.596 61.596 63.122 -1.526 17835 42 1 . 1 1 11 11 SER H H 8 7.796 7.796 8.158 -0.362 17835 43 1 . 1 1 12 12 LYS N N 9 121.690 121.690 122.073 -0.383 17835 44 1 . 1 1 12 12 LYS HA H 9 4.044 4.044 4.012 0.032 17835 45 1 . 1 1 12 12 LYS C C 9 180.048 180.048 178.892 1.156 17835 46 1 . 1 1 12 12 LYS CA C 9 60.002 60.002 59.662 0.340 17835 47 1 . 1 1 12 12 LYS CB C 9 32.839 32.839 32.384 0.455 17835 48 1 . 1 1 12 12 LYS H H 9 7.754 7.754 8.311 -0.557 17835 49 1 . 1 1 13 13 MET N N 10 119.794 119.794 118.873 0.921 17835 50 1 . 1 1 13 13 MET HA H 10 4.420 4.420 4.139 0.281 17835 51 1 . 1 1 13 13 MET C C 10 178.151 178.151 178.317 -0.166 17835 52 1 . 1 1 13 13 MET CA C 10 57.095 57.095 58.879 -1.784 17835 53 1 . 1 1 13 13 MET CB C 10 31.599 31.599 32.501 -0.902 17835 54 1 . 1 1 13 13 MET H H 10 8.451 8.451 8.363 0.088 17835 55 1 . 1 1 14 14 LEU N N 11 122.035 122.035 122.167 -0.132 17835 56 1 . 1 1 14 14 LEU HA H 11 4.207 4.207 4.126 0.081 17835 57 1 . 1 1 14 14 LEU C C 11 178.526 178.526 178.003 0.523 17835 58 1 . 1 1 14 14 LEU CA C 11 58.178 58.178 59.113 -0.935 17835 59 1 . 1 1 14 14 LEU CB C 11 42.148 42.148 41.761 0.387 17835 60 1 . 1 1 14 14 LEU H H 11 9.301 9.301 8.731 0.570 17835 61 1 . 1 1 15 15 ARG N N 12 118.150 118.150 119.342 -1.192 17835 62 1 . 1 1 15 15 ARG HA H 12 3.839 3.839 3.865 -0.026 17835 63 1 . 1 1 15 15 ARG C C 12 177.951 177.951 178.388 -0.437 17835 64 1 . 1 1 15 15 ARG CA C 12 60.500 60.500 59.285 1.215 17835 65 1 . 1 1 15 15 ARG CB C 12 29.966 29.966 29.800 0.166 17835 66 1 . 1 1 15 15 ARG H H 12 8.248 8.248 8.463 -0.215 17835 67 1 . 1 1 16 16 ALA N N 13 120.291 120.291 121.787 -1.496 17835 68 1 . 1 1 16 16 ALA HA H 13 4.150 4.150 4.076 0.074 17835 69 1 . 1 1 16 16 ALA C C 13 181.072 181.072 179.764 1.307 17835 70 1 . 1 1 16 16 ALA CA C 13 55.371 55.371 54.997 0.374 17835 71 1 . 1 1 16 16 ALA CB C 13 17.845 17.845 18.340 -0.495 17835 72 1 . 1 1 16 16 ALA H H 13 7.587 7.587 8.185 -0.598 17835 73 1 . 1 1 17 17 VAL N N 14 119.183 119.183 119.249 -0.066 17835 74 1 . 1 1 17 17 VAL HA H 14 3.858 3.858 3.344 0.514 17835 75 1 . 1 1 17 17 VAL C C 14 178.531 178.531 177.943 0.588 17835 76 1 . 1 1 17 17 VAL CA C 14 65.552 65.552 66.944 -1.392 17835 77 1 . 1 1 17 17 VAL CB C 14 32.190 32.190 31.378 0.812 17835 78 1 . 1 1 17 17 VAL H H 14 8.324 8.324 8.080 0.243 17835 79 1 . 1 1 18 18 LEU N N 15 120.498 120.498 118.918 1.580 17835 80 1 . 1 1 18 18 LEU HA H 15 3.985 3.985 3.940 0.045 17835 81 1 . 1 1 18 18 LEU C C 15 179.935 179.935 179.151 0.784 17835 82 1 . 1 1 18 18 LEU CA C 15 58.474 58.474 57.692 0.782 17835 83 1 . 1 1 18 18 LEU CB C 15 41.885 41.885 41.415 0.470 17835 84 1 . 1 1 18 18 LEU H H 15 8.388 8.388 8.024 0.364 17835 85 1 . 1 1 19 19 GLN N N 16 117.835 117.835 117.250 0.585 17835 86 1 . 1 1 19 19 GLN HA H 16 3.981 3.981 4.074 -0.093 17835 87 1 . 1 1 19 19 GLN C C 16 177.304 177.304 178.819 -1.515 17835 88 1 . 1 1 19 19 GLN CA C 16 58.668 58.668 58.278 0.389 17835 89 1 . 1 1 19 19 GLN CB C 16 28.274 28.274 28.482 -0.208 17835 90 1 . 1 1 19 19 GLN H H 16 8.689 8.689 8.292 0.397 17835 91 1 . 1 1 20 20 SER N N 17 111.043 111.043 115.809 -4.766 17835 92 1 . 1 1 20 20 SER HA H 17 4.386 4.386 4.351 0.035 17835 93 1 . 1 1 20 20 SER C C 17 173.630 173.630 176.252 -2.622 17835 94 1 . 1 1 20 20 SER CA C 17 59.252 59.252 61.069 -1.817 17835 95 1 . 1 1 20 20 SER CB C 17 63.600 63.600 63.687 -0.087 17835 96 1 . 1 1 20 20 SER H H 17 7.461 7.461 7.986 -0.525 17835 97 1 . 1 1 21 21 HIS N N 18 121.324 121.324 120.108 1.216 17835 98 1 . 1 1 21 21 HIS HA H 18 4.824 4.824 4.830 -0.006 17835 99 1 . 1 1 21 21 HIS C C 18 174.835 174.835 175.176 -0.341 17835 100 1 . 1 1 21 21 HIS CA C 18 54.386 54.386 52.755 1.631 17835 101 1 . 1 1 21 21 HIS CB C 18 28.657 28.657 27.555 1.102 17835 102 1 . 1 1 21 21 HIS H H 18 7.692 7.692 8.131 -0.439 17835 103 1 . 1 1 22 22 LYS N N 19 123.925 123.925 121.228 2.697 17835 104 1 . 1 1 22 22 LYS HA H 19 4.161 4.161 4.168 -0.007 17835 105 1 . 1 1 22 22 LYS C C 19 177.562 177.562 177.687 -0.125 17835 106 1 . 1 1 22 22 LYS CA C 19 59.316 59.316 58.376 0.940 17835 107 1 . 1 1 22 22 LYS CB C 19 32.202 32.202 31.947 0.255 17835 108 1 . 1 1 22 22 LYS H H 19 8.809 8.809 7.738 1.071 17835 109 1 . 1 1 23 23 ASN N N 20 115.473 115.473 116.463 -0.990 17835 110 1 . 1 1 23 23 ASN HA H 20 5.073 5.073 4.683 0.391 17835 111 1 . 1 1 23 23 ASN C C 20 174.783 174.783 175.791 -1.008 17835 112 1 . 1 1 23 23 ASN CA C 20 52.835 52.835 53.633 -0.798 17835 113 1 . 1 1 23 23 ASN CB C 20 38.540 38.540 39.018 -0.478 17835 114 1 . 1 1 23 23 ASN H H 20 8.784 8.784 8.193 0.591 17835 115 1 . 1 1 24 24 GLY N N 21 107.402 107.402 107.823 -0.421 17835 116 1 . 1 1 24 24 GLY C C 21 172.572 172.572 172.899 -0.327 17835 117 1 . 1 1 24 24 GLY CA C 21 44.739 44.739 44.407 0.332 17835 118 1 . 1 1 24 24 GLY H H 21 7.743 7.743 7.883 -0.140 17835 119 1 . 1 1 25 25 ILE N N 22 117.796 117.796 115.756 2.040 17835 120 1 . 1 1 25 25 ILE HA H 22 4.272 4.272 4.645 -0.373 17835 121 1 . 1 1 25 25 ILE C C 22 175.452 175.452 175.063 0.389 17835 122 1 . 1 1 25 25 ILE CA C 22 59.468 59.468 59.330 0.138 17835 123 1 . 1 1 25 25 ILE CB C 22 41.833 41.833 40.660 1.173 17835 124 1 . 1 1 25 25 ILE H H 22 8.509 8.509 7.999 0.510 17835 125 1 . 1 1 26 26 VAL N N 23 124.597 124.597 122.116 2.481 17835 126 1 . 1 1 26 26 VAL HA H 23 4.585 4.585 4.463 0.122 17835 127 1 . 1 1 26 26 VAL C C 23 177.566 177.566 177.605 -0.039 17835 128 1 . 1 1 26 26 VAL CA C 23 62.227 62.227 62.119 0.108 17835 129 1 . 1 1 26 26 VAL CB C 23 31.945 31.945 32.172 -0.227 17835 130 1 . 1 1 26 26 VAL H H 23 8.524 8.524 8.353 0.171 17835 131 1 . 1 1 27 27 LEU N N 24 124.858 124.858 121.617 3.241 17835 132 1 . 1 1 27 27 LEU HA H 24 4.011 4.011 4.333 -0.322 17835 133 1 . 1 1 27 27 LEU C C 24 175.569 175.569 176.594 -1.025 17835 134 1 . 1 1 27 27 LEU CA C 24 60.394 60.394 58.858 1.537 17835 135 1 . 1 1 27 27 LEU CB C 24 39.402 39.402 38.973 0.429 17835 136 1 . 1 1 27 27 LEU H H 24 8.816 8.816 8.456 0.360 17835 137 1 . 1 1 28 28 PRO HA H 25 4.401 4.401 4.288 0.113 17835 138 1 . 1 1 28 28 PRO C C 25 177.600 177.600 179.198 -1.598 17835 139 1 . 1 1 28 28 PRO CA C 25 65.549 65.549 65.558 -0.009 17835 140 1 . 1 1 28 28 PRO CB C 25 31.458 31.458 30.963 0.495 17835 141 1 . 1 1 29 29 ARG N N 26 115.136 115.136 119.316 -4.180 17835 142 1 . 1 1 29 29 ARG HA H 26 4.511 4.511 4.117 0.394 17835 143 1 . 1 1 29 29 ARG C C 26 177.152 177.152 178.232 -1.080 17835 144 1 . 1 1 29 29 ARG CA C 26 55.853 55.853 59.252 -3.399 17835 145 1 . 1 1 29 29 ARG CB C 26 30.981 30.981 29.957 1.024 17835 146 1 . 1 1 29 29 ARG H H 26 7.869 7.869 7.782 0.087 17835 147 1 . 1 1 30 30 LEU N N 27 122.984 122.984 121.717 1.267 17835 148 1 . 1 1 30 30 LEU HA H 27 3.842 3.842 3.970 -0.128 17835 149 1 . 1 1 30 30 LEU C C 27 177.872 177.872 178.481 -0.609 17835 150 1 . 1 1 30 30 LEU CA C 27 59.458 59.458 58.639 0.819 17835 151 1 . 1 1 30 30 LEU CB C 27 42.326 42.326 41.395 0.931 17835 152 1 . 1 1 30 30 LEU H H 27 7.870 7.870 8.633 -0.763 17835 153 1 . 1 1 31 31 GLN N N 28 117.382 117.382 117.780 -0.398 17835 154 1 . 1 1 31 31 GLN HA H 28 4.689 4.689 4.027 0.662 17835 155 1 . 1 1 31 31 GLN C C 28 178.888 178.888 179.030 -0.142 17835 156 1 . 1 1 31 31 GLN CA C 28 60.243 60.243 59.574 0.669 17835 157 1 . 1 1 31 31 GLN CB C 28 27.811 27.811 28.445 -0.634 17835 158 1 . 1 1 31 31 GLN H H 28 9.217 9.217 7.983 1.234 17835 159 1 . 1 1 32 32 GLY N N 29 105.066 105.066 107.924 -2.858 17835 160 1 . 1 1 32 32 GLY C C 29 177.579 177.579 176.554 1.025 17835 161 1 . 1 1 32 32 GLY CA C 29 47.254 47.254 47.317 -0.063 17835 162 1 . 1 1 32 32 GLY H H 29 8.680 8.680 8.350 0.330 17835 163 1 . 1 1 33 33 GLU N N 30 121.593 121.593 122.922 -1.329 17835 164 1 . 1 1 33 33 GLU HA H 30 4.274 4.274 4.202 0.072 17835 165 1 . 1 1 33 33 GLU C C 30 179.316 179.316 178.869 0.447 17835 166 1 . 1 1 33 33 GLU CA C 30 59.068 59.068 58.598 0.470 17835 167 1 . 1 1 33 33 GLU CB C 30 29.077 29.077 29.390 -0.313 17835 168 1 . 1 1 33 33 GLU H H 30 8.063 8.063 8.317 -0.254 17835 169 1 . 1 1 34 34 TYR N N 31 123.143 123.143 122.134 1.009 17835 170 1 . 1 1 34 34 TYR HA H 31 4.083 4.083 4.055 0.028 17835 171 1 . 1 1 34 34 TYR C C 31 178.379 178.379 177.237 1.142 17835 172 1 . 1 1 34 34 TYR CA C 31 62.406 62.406 61.713 0.692 17835 173 1 . 1 1 34 34 TYR CB C 31 39.405 39.405 38.447 0.958 17835 174 1 . 1 1 34 34 TYR H H 31 9.063 9.063 8.818 0.245 17835 175 1 . 1 1 35 35 ARG N N 32 123.458 123.458 119.585 3.873 17835 176 1 . 1 1 35 35 ARG HA H 32 4.281 4.281 3.919 0.362 17835 177 1 . 1 1 35 35 ARG C C 32 180.186 180.186 178.955 1.231 17835 178 1 . 1 1 35 35 ARG CA C 32 58.908 58.908 58.947 -0.039 17835 179 1 . 1 1 35 35 ARG CB C 32 29.708 29.708 29.733 -0.025 17835 180 1 . 1 1 35 35 ARG H H 32 9.321 9.321 8.593 0.728 17835 181 1 . 1 1 36 36 SER N N 33 116.071 116.071 115.739 0.332 17835 182 1 . 1 1 36 36 SER HA H 33 4.048 4.048 4.088 -0.040 17835 183 1 . 1 1 36 36 SER C C 33 175.063 175.063 175.753 -0.690 17835 184 1 . 1 1 36 36 SER CA C 33 61.856 61.856 61.147 0.709 17835 185 1 . 1 1 36 36 SER CB C 33 62.779 62.779 62.970 -0.191 17835 186 1 . 1 1 36 36 SER H H 33 8.078 8.078 7.938 0.140 17835 187 1 . 1 1 37 37 LEU N N 34 118.571 118.571 122.197 -3.626 17835 188 1 . 1 1 37 37 LEU HA H 34 4.342 4.342 4.198 0.144 17835 189 1 . 1 1 37 37 LEU C C 34 178.400 178.400 178.279 0.121 17835 190 1 . 1 1 37 37 LEU CA C 34 57.073 57.073 57.170 -0.097 17835 191 1 . 1 1 37 37 LEU CB C 34 43.132 43.132 42.367 0.765 17835 192 1 . 1 1 37 37 LEU H H 34 7.167 7.167 7.516 -0.349 17835 193 1 . 1 1 38 38 THR N N 35 106.425 106.425 109.078 -2.653 17835 194 1 . 1 1 38 38 THR HA H 35 4.163 4.163 4.100 0.063 17835 195 1 . 1 1 38 38 THR C C 35 176.259 176.259 175.884 0.375 17835 196 1 . 1 1 38 38 THR CA C 35 62.637 62.637 62.549 0.088 17835 197 1 . 1 1 38 38 THR CB C 35 71.659 71.659 69.578 2.081 17835 198 1 . 1 1 38 38 THR H H 35 8.168 8.168 7.871 0.297 17835 199 1 . 1 1 39 39 GLY N N 36 112.162 112.162 111.101 1.061 17835 200 1 . 1 1 39 39 GLY C C 36 172.464 172.464 172.942 -0.478 17835 201 1 . 1 1 39 39 GLY CA C 36 45.225 45.225 45.130 0.095 17835 202 1 . 1 1 39 39 GLY H H 36 8.759 8.759 7.990 0.769 17835 203 1 . 1 1 40 40 ASP N N 37 121.106 121.106 118.503 2.603 17835 204 1 . 1 1 40 40 ASP HA H 37 4.733 4.733 4.732 0.001 17835 205 1 . 1 1 40 40 ASP C C 37 173.861 173.861 174.027 -0.166 17835 206 1 . 1 1 40 40 ASP CA C 37 52.159 52.159 51.964 0.195 17835 207 1 . 1 1 40 40 ASP CB C 37 44.573 44.573 43.492 1.081 17835 208 1 . 1 1 40 40 ASP H H 37 8.414 8.414 7.504 0.910 17835 209 1 . 1 1 41 41 TRP N N 38 115.206 115.206 119.743 -4.537 17835 210 1 . 1 1 41 41 TRP HA H 38 5.107 5.107 4.922 0.185 17835 211 1 . 1 1 41 41 TRP C C 38 177.125 177.125 177.554 -0.429 17835 212 1 . 1 1 41 41 TRP CA C 38 54.889 54.889 56.141 -1.252 17835 213 1 . 1 1 41 41 TRP CB C 38 31.592 31.592 30.874 0.718 17835 214 1 . 1 1 41 41 TRP H H 38 8.016 8.016 8.283 -0.267 17835 215 1 . 1 1 42 42 ILE N N 39 123.723 123.723 123.059 0.664 17835 216 1 . 1 1 42 42 ILE HA H 39 3.512 3.512 3.621 -0.109 17835 217 1 . 1 1 42 42 ILE C C 39 177.199 177.199 175.899 1.300 17835 218 1 . 1 1 42 42 ILE CA C 39 60.467 60.467 60.663 -0.196 17835 219 1 . 1 1 42 42 ILE CB C 39 38.133 38.133 37.294 0.839 17835 220 1 . 1 1 42 42 ILE H H 39 10.079 10.079 9.045 1.034 17835 221 1 . 1 1 43 43 PRO HA H 40 4.600 4.600 4.753 -0.153 17835 222 1 . 1 1 43 43 PRO C C 40 174.997 174.997 176.879 -1.881 17835 223 1 . 1 1 43 43 PRO CA C 40 62.511 62.511 62.358 0.153 17835 224 1 . 1 1 43 43 PRO CB C 40 27.857 27.857 29.446 -1.589 17835 225 1 . 1 1 44 44 PHE N N 41 118.808 118.808 120.046 -1.239 17835 226 1 . 1 1 44 44 PHE HA H 41 3.737 3.737 4.208 -0.471 17835 227 1 . 1 1 44 44 PHE C C 41 175.891 175.891 176.823 -0.932 17835 228 1 . 1 1 44 44 PHE CA C 41 60.911 60.911 61.958 -1.047 17835 229 1 . 1 1 44 44 PHE CB C 41 38.412 38.412 37.568 0.844 17835 230 1 . 1 1 44 44 PHE H H 41 7.647 7.647 7.900 -0.253 17835 231 1 . 1 1 45 45 LYS N N 42 123.543 123.543 119.600 3.943 17835 232 1 . 1 1 45 45 LYS HA H 42 4.763 4.763 4.143 0.621 17835 233 1 . 1 1 45 45 LYS C C 42 181.828 181.828 178.680 3.148 17835 234 1 . 1 1 45 45 LYS CA C 42 58.959 58.959 58.249 0.710 17835 235 1 . 1 1 45 45 LYS CB C 42 31.599 31.599 31.452 0.147 17835 236 1 . 1 1 45 45 LYS H H 42 7.387 7.387 7.271 0.116 17835 237 1 . 1 1 46 46 GLN N N 43 123.171 123.171 118.306 4.865 17835 238 1 . 1 1 46 46 GLN HA H 43 3.896 3.896 4.011 -0.115 17835 239 1 . 1 1 46 46 GLN C C 43 178.167 178.167 177.916 0.252 17835 240 1 . 1 1 46 46 GLN CA C 43 59.066 59.066 58.453 0.613 17835 241 1 . 1 1 46 46 GLN CB C 43 27.702 27.702 28.250 -0.548 17835 242 1 . 1 1 46 46 GLN H H 43 8.567 8.567 7.832 0.735 17835 243 1 . 1 1 47 47 LEU N N 44 116.472 116.472 118.346 -1.874 17835 244 1 . 1 1 47 47 LEU HA H 44 4.255 4.255 4.209 0.046 17835 245 1 . 1 1 47 47 LEU C C 44 176.103 176.103 178.062 -1.959 17835 246 1 . 1 1 47 47 LEU CA C 44 55.308 55.308 55.979 -0.671 17835 247 1 . 1 1 47 47 LEU CB C 44 41.374 41.374 42.875 -1.501 17835 248 1 . 1 1 47 47 LEU H H 44 7.544 7.544 8.243 -0.699 17835 249 1 . 1 1 48 48 GLY N N 45 104.932 104.932 104.066 0.866 17835 250 1 . 1 1 48 48 GLY C C 45 173.844 173.844 174.414 -0.570 17835 251 1 . 1 1 48 48 GLY CA C 45 44.826 44.826 44.410 0.416 17835 252 1 . 1 1 48 48 GLY H H 45 7.741 7.741 7.877 -0.136 17835 253 1 . 1 1 49 49 TYR N N 46 119.946 119.946 121.025 -1.079 17835 254 1 . 1 1 49 49 TYR HA H 46 4.839 4.839 4.845 -0.006 17835 255 1 . 1 1 49 49 TYR C C 46 174.575 174.575 175.003 -0.428 17835 256 1 . 1 1 49 49 TYR CA C 46 56.349 56.349 56.100 0.249 17835 257 1 . 1 1 49 49 TYR CB C 46 41.464 41.464 38.396 3.068 17835 258 1 . 1 1 49 49 TYR H H 46 8.332 8.332 8.000 0.332 17835 259 1 . 1 1 50 50 PRO HA H 47 4.556 4.556 4.487 0.069 17835 260 1 . 1 1 50 50 PRO C C 47 177.125 177.125 176.632 0.493 17835 261 1 . 1 1 50 50 PRO CA C 47 64.115 64.115 64.736 -0.621 17835 262 1 . 1 1 50 50 PRO CB C 47 32.152 32.152 31.947 0.205 17835 263 1 . 1 1 51 51 THR N N 48 105.643 105.643 107.490 -1.847 17835 264 1 . 1 1 51 51 THR HA H 48 4.129 4.129 4.362 -0.233 17835 265 1 . 1 1 51 51 THR C C 48 173.270 173.270 174.748 -1.478 17835 266 1 . 1 1 51 51 THR CA C 48 58.738 58.738 59.706 -0.968 17835 267 1 . 1 1 51 51 THR CB C 48 73.254 73.254 71.802 1.452 17835 268 1 . 1 1 51 51 THR H H 48 6.939 6.939 7.604 -0.665 17835 269 1 . 1 1 52 52 LEU N N 49 121.743 121.743 122.724 -0.981 17835 270 1 . 1 1 52 52 LEU HA H 49 3.325 3.325 3.838 -0.513 17835 271 1 . 1 1 52 52 LEU C C 49 178.195 178.195 178.731 -0.536 17835 272 1 . 1 1 52 52 LEU CA C 49 57.551 57.551 57.758 -0.207 17835 273 1 . 1 1 52 52 LEU CB C 49 40.517 40.517 40.572 -0.055 17835 274 1 . 1 1 52 52 LEU H H 49 7.849 7.849 8.200 -0.351 17835 275 1 . 1 1 53 53 GLU N N 50 118.706 118.706 118.910 -0.204 17835 276 1 . 1 1 53 53 GLU HA H 50 3.411 3.411 3.884 -0.473 17835 277 1 . 1 1 53 53 GLU C C 50 176.853 176.853 178.507 -1.654 17835 278 1 . 1 1 53 53 GLU CA C 50 60.720 60.720 59.402 1.318 17835 279 1 . 1 1 53 53 GLU CB C 50 28.696 28.696 28.744 -0.048 17835 280 1 . 1 1 53 53 GLU H H 50 8.981 8.981 8.738 0.243 17835 281 1 . 1 1 54 54 ALA N N 51 119.673 119.673 122.662 -2.989 17835 282 1 . 1 1 54 54 ALA HA H 51 3.885 3.885 4.024 -0.139 17835 283 1 . 1 1 54 54 ALA C C 51 180.232 180.232 179.405 0.827 17835 284 1 . 1 1 54 54 ALA CA C 51 55.127 55.127 55.035 0.092 17835 285 1 . 1 1 54 54 ALA CB C 51 18.345 18.345 18.472 -0.127 17835 286 1 . 1 1 54 54 ALA H H 51 8.001 8.001 7.756 0.244 17835 287 1 . 1 1 55 55 TYR N N 52 117.474 117.474 120.285 -2.811 17835 288 1 . 1 1 55 55 TYR HA H 52 2.898 2.898 3.278 -0.380 17835 289 1 . 1 1 55 55 TYR C C 52 178.563 178.563 177.372 1.191 17835 290 1 . 1 1 55 55 TYR CA C 52 59.876 59.876 61.197 -1.321 17835 291 1 . 1 1 55 55 TYR CB C 52 37.365 37.365 38.232 -0.867 17835 292 1 . 1 1 55 55 TYR H H 52 7.218 7.218 7.995 -0.777 17835 293 1 . 1 1 56 56 LEU N N 53 121.106 121.106 117.842 3.264 17835 294 1 . 1 1 56 56 LEU HA H 53 3.221 3.221 3.662 -0.441 17835 295 1 . 1 1 56 56 LEU C C 53 179.706 179.706 179.261 0.445 17835 296 1 . 1 1 56 56 LEU CA C 53 57.334 57.334 57.439 -0.105 17835 297 1 . 1 1 56 56 LEU CB C 53 40.788 40.788 41.628 -0.840 17835 298 1 . 1 1 56 56 LEU H H 53 8.440 8.440 8.038 0.402 17835 299 1 . 1 1 57 57 ARG N N 54 116.303 116.303 120.063 -3.760 17835 300 1 . 1 1 57 57 ARG HA H 54 3.722 3.722 4.004 -0.282 17835 301 1 . 1 1 57 57 ARG C C 54 176.071 176.071 177.797 -1.726 17835 302 1 . 1 1 57 57 ARG CA C 54 58.463 58.463 58.642 -0.179 17835 303 1 . 1 1 57 57 ARG CB C 54 29.735 29.735 29.916 -0.181 17835 304 1 . 1 1 57 57 ARG H H 54 7.998 7.998 8.606 -0.608 17835 305 1 . 1 1 58 58 SER N N 55 115.365 115.365 113.096 2.269 17835 306 1 . 1 1 58 58 SER HA H 55 4.357 4.357 4.377 -0.020 17835 307 1 . 1 1 58 58 SER C C 55 173.970 173.970 173.995 -0.025 17835 308 1 . 1 1 58 58 SER CA C 55 59.762 59.762 60.026 -0.264 17835 309 1 . 1 1 58 58 SER CB C 55 63.886 63.886 63.366 0.520 17835 310 1 . 1 1 58 58 SER H H 55 7.491 7.491 7.550 -0.059 17835 311 1 . 1 1 59 59 VAL N N 56 113.059 113.059 120.357 -7.298 17835 312 1 . 1 1 59 59 VAL HA H 56 5.090 5.090 4.549 0.541 17835 313 1 . 1 1 59 59 VAL C C 56 174.276 174.276 173.866 0.410 17835 314 1 . 1 1 59 59 VAL CA C 56 58.444 58.444 58.769 -0.325 17835 315 1 . 1 1 59 59 VAL CB C 56 31.559 31.559 32.729 -1.170 17835 316 1 . 1 1 59 59 VAL H H 56 6.729 6.729 7.057 -0.328 17835 317 1 . 1 1 60 60 PRO HA H 57 4.902 4.902 4.730 0.172 17835 318 1 . 1 1 60 60 PRO C C 57 177.563 177.563 177.249 0.314 17835 319 1 . 1 1 60 60 PRO CA C 57 64.541 64.541 64.553 -0.011 17835 320 1 . 1 1 60 60 PRO CB C 57 31.768 31.768 31.710 0.058 17835 321 1 . 1 1 61 61 ALA N N 58 120.004 120.004 119.812 0.192 17835 322 1 . 1 1 61 61 ALA HA H 58 4.327 4.327 4.278 0.049 17835 323 1 . 1 1 61 61 ALA C C 58 177.191 177.191 177.816 -0.625 17835 324 1 . 1 1 61 61 ALA CA C 58 52.795 52.795 53.548 -0.753 17835 325 1 . 1 1 61 61 ALA CB C 58 18.427 18.427 19.306 -0.879 17835 326 1 . 1 1 61 61 ALA H H 58 8.397 8.397 8.134 0.263 17835 327 1 . 1 1 62 62 VAL N N 59 116.635 116.635 113.500 3.135 17835 328 1 . 1 1 62 62 VAL HA H 59 4.032 4.032 4.340 -0.308 17835 329 1 . 1 1 62 62 VAL C C 59 174.238 174.238 174.887 -0.649 17835 330 1 . 1 1 62 62 VAL CA C 59 63.741 63.741 63.031 0.710 17835 331 1 . 1 1 62 62 VAL CB C 59 34.115 34.115 34.866 -0.751 17835 332 1 . 1 1 62 62 VAL H H 59 8.080 8.080 7.644 0.436 17835 333 1 . 1 1 63 63 VAL N N 60 117.153 117.153 118.691 -1.538 17835 334 1 . 1 1 63 63 VAL HA H 60 4.911 4.911 4.642 0.269 17835 335 1 . 1 1 63 63 VAL C C 60 172.258 172.258 173.656 -1.398 17835 336 1 . 1 1 63 63 VAL CA C 60 59.006 59.006 60.609 -1.603 17835 337 1 . 1 1 63 63 VAL CB C 60 35.461 35.461 36.389 -0.928 17835 338 1 . 1 1 63 63 VAL H H 60 7.791 7.791 8.150 -0.359 17835 339 1 . 1 1 64 64 ARG N N 61 129.658 129.658 121.661 7.997 17835 340 1 . 1 1 64 64 ARG HA H 61 4.727 4.727 4.744 -0.017 17835 341 1 . 1 1 64 64 ARG C C 61 174.437 174.437 173.608 0.829 17835 342 1 . 1 1 64 64 ARG CA C 61 54.117 54.117 55.381 -1.264 17835 343 1 . 1 1 64 64 ARG CB C 61 32.754 32.754 34.372 -1.618 17835 344 1 . 1 1 64 64 ARG H H 61 9.208 9.208 8.968 0.240 17835 345 1 . 1 1 65 65 ILE N N 62 125.775 125.775 117.982 7.793 17835 346 1 . 1 1 65 65 ILE HA H 62 4.917 4.917 5.356 -0.439 17835 347 1 . 1 1 65 65 ILE C C 62 175.842 175.842 174.587 1.255 17835 348 1 . 1 1 65 65 ILE CA C 62 59.545 59.545 59.801 -0.256 17835 349 1 . 1 1 65 65 ILE CB C 62 39.645 39.645 42.387 -2.742 17835 350 1 . 1 1 65 65 ILE H H 62 8.736 8.736 8.313 0.423 17835 351 1 . 1 1 66 66 GLU N N 63 127.114 127.114 122.979 4.135 17835 352 1 . 1 1 66 66 GLU HA H 63 4.677 4.677 4.729 -0.052 17835 353 1 . 1 1 66 66 GLU C C 63 174.409 174.409 175.330 -0.921 17835 354 1 . 1 1 66 66 GLU CA C 63 54.791 54.791 55.092 -0.301 17835 355 1 . 1 1 66 66 GLU CB C 63 33.078 33.078 32.144 0.934 17835 356 1 . 1 1 66 66 GLU H H 63 9.197 9.197 9.090 0.107 17835 357 1 . 1 1 67 67 ALA N N 64 127.913 127.913 129.845 -1.932 17835 358 1 . 1 1 67 67 ALA HA H 64 5.026 5.026 4.648 0.378 17835 359 1 . 1 1 67 67 ALA C C 64 177.717 177.717 177.166 0.551 17835 360 1 . 1 1 67 67 ALA CA C 64 51.070 51.070 51.773 -0.703 17835 361 1 . 1 1 67 67 ALA CB C 64 19.550 19.550 19.009 0.541 17835 362 1 . 1 1 67 67 ALA H H 64 8.779 8.779 8.627 0.152 17835 363 1 . 1 1 68 68 SER N N 65 119.364 119.364 119.759 -0.395 17835 364 1 . 1 1 68 68 SER HA H 65 4.665 4.665 4.519 0.146 17835 365 1 . 1 1 68 68 SER C C 65 176.518 176.518 176.685 -0.167 17835 366 1 . 1 1 68 68 SER CA C 65 57.096 57.096 56.968 0.128 17835 367 1 . 1 1 68 68 SER CB C 65 65.234 65.234 64.290 0.944 17835 368 1 . 1 1 68 68 SER H H 65 8.951 8.951 8.611 0.340 17835 369 1 . 1 1 69 69 ARG N N 66 123.143 123.143 125.978 -2.835 17835 370 1 . 1 1 69 69 ARG HA H 66 4.153 4.153 4.182 -0.029 17835 371 1 . 1 1 69 69 ARG C C 66 177.356 177.356 176.627 0.730 17835 372 1 . 1 1 69 69 ARG CA C 66 58.973 58.973 58.072 0.901 17835 373 1 . 1 1 69 69 ARG CB C 66 29.659 29.659 29.325 0.334 17835 374 1 . 1 1 69 69 ARG H H 66 9.075 9.075 8.920 0.155 17835 375 1 . 1 1 70 70 SER N N 67 112.081 112.081 115.339 -3.258 17835 376 1 . 1 1 70 70 SER HA H 67 4.416 4.416 4.379 0.037 17835 377 1 . 1 1 70 70 SER C C 67 175.146 175.146 175.418 -0.272 17835 378 1 . 1 1 70 70 SER CA C 67 58.413 58.413 58.497 -0.084 17835 379 1 . 1 1 70 70 SER CB C 67 63.477 63.477 63.599 -0.122 17835 380 1 . 1 1 70 70 SER H H 67 8.083 8.083 7.774 0.309 17835 381 1 . 1 1 71 71 GLY N N 68 110.519 110.519 109.084 1.435 17835 382 1 . 1 1 71 71 GLY C C 68 174.116 174.116 173.863 0.253 17835 383 1 . 1 1 71 71 GLY CA C 68 45.114 45.114 45.188 -0.074 17835 384 1 . 1 1 71 71 GLY H H 68 7.974 7.974 7.874 0.100 17835 385 1 . 1 1 72 72 GLU N N 69 120.663 120.663 119.978 0.685 17835 386 1 . 1 1 72 72 GLU HA H 69 4.289 4.289 4.588 -0.299 17835 387 1 . 1 1 72 72 GLU C C 69 175.352 175.352 174.841 0.511 17835 388 1 . 1 1 72 72 GLU CA C 69 56.082 56.082 55.007 1.075 17835 389 1 . 1 1 72 72 GLU CB C 69 30.517 30.517 31.871 -1.354 17835 390 1 . 1 1 72 72 GLU H H 69 7.630 7.630 7.825 -0.195 17835 391 1 . 1 1 73 73 ILE N N 70 125.775 125.775 121.495 4.280 17835 392 1 . 1 1 73 73 ILE HA H 70 4.367 4.367 4.917 -0.550 17835 393 1 . 1 1 73 73 ILE C C 70 174.613 174.613 173.738 0.875 17835 394 1 . 1 1 73 73 ILE CA C 70 60.876 60.876 59.429 1.447 17835 395 1 . 1 1 73 73 ILE CB C 70 37.465 37.465 41.333 -3.868 17835 396 1 . 1 1 73 73 ILE H H 70 8.753 8.753 8.360 0.393 17835 397 1 . 1 1 74 74 VAL N N 71 128.300 128.300 127.942 0.358 17835 398 1 . 1 1 74 74 VAL HA H 71 4.153 4.153 4.380 -0.227 17835 399 1 . 1 1 74 74 VAL C C 71 173.544 173.544 174.727 -1.183 17835 400 1 . 1 1 74 74 VAL CA C 71 61.736 61.736 60.537 1.199 17835 401 1 . 1 1 74 74 VAL CB C 71 33.763 33.763 33.400 0.363 17835 402 1 . 1 1 74 74 VAL H H 71 8.724 8.724 8.751 -0.027 17835 403 1 . 1 1 75 75 CYS N N 72 122.823 122.823 125.037 -2.214 17835 404 1 . 1 1 75 75 CYS HA H 72 4.948 4.948 4.995 -0.047 17835 405 1 . 1 1 75 75 CYS C C 72 173.200 173.200 173.842 -0.641 17835 406 1 . 1 1 75 75 CYS CA C 72 57.176 57.176 57.758 -0.582 17835 407 1 . 1 1 75 75 CYS CB C 72 29.712 29.712 29.449 0.263 17835 408 1 . 1 1 75 75 CYS H H 72 8.200 8.200 8.721 -0.521 17835 409 1 . 1 1 76 76 TYR N N 73 119.584 119.584 119.194 0.390 17835 410 1 . 1 1 76 76 TYR HA H 73 5.013 5.013 4.769 0.244 17835 411 1 . 1 1 76 76 TYR C C 73 175.779 175.779 174.878 0.901 17835 412 1 . 1 1 76 76 TYR CA C 73 56.289 56.289 57.081 -0.791 17835 413 1 . 1 1 76 76 TYR CB C 73 42.505 42.505 43.083 -0.578 17835 414 1 . 1 1 76 76 TYR H H 73 9.265 9.265 9.284 -0.019 17835 415 1 . 1 1 77 77 ALA N N 74 122.844 122.844 121.903 0.942 17835 416 1 . 1 1 77 77 ALA HA H 74 4.423 4.423 4.617 -0.194 17835 417 1 . 1 1 77 77 ALA C C 74 177.907 177.907 175.703 2.204 17835 418 1 . 1 1 77 77 ALA CA C 74 52.151 52.151 51.325 0.826 17835 419 1 . 1 1 77 77 ALA CB C 74 18.915 18.915 20.869 -1.953 17835 420 1 . 1 1 77 77 ALA H H 74 9.145 9.145 8.931 0.214 17835 421 1 . 1 1 78 78 VAL N N 75 123.434 123.434 116.996 6.438 17835 422 1 . 1 1 78 78 VAL HA H 75 3.826 3.826 4.344 -0.518 17835 423 1 . 1 1 78 78 VAL C C 75 174.995 174.995 174.897 0.098 17835 424 1 . 1 1 78 78 VAL CA C 75 63.379 63.379 62.226 1.153 17835 425 1 . 1 1 78 78 VAL CB C 75 32.715 32.715 34.868 -2.153 17835 426 1 . 1 1 78 78 VAL H H 75 7.894 7.894 8.589 -0.695 17835 stop_ save_