data_18657 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18657 _Entry.PDB_ID 2LX2 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 18657 _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 1 1 ASN HA H 1 4.703 4.703 4.883 -0.180 18657 2 1 1 . 1 1 1 1 ASN C C 1 174.258 174.258 174.234 0.024 18657 3 1 1 . 1 1 1 1 ASN CA C 1 53.192 53.192 53.007 0.185 18657 4 1 1 . 1 1 1 1 ASN CB C 1 38.954 38.954 39.421 -0.467 18657 5 1 1 . 1 1 2 2 GLN N N 2 120.041 120.041 123.236 -3.195 18657 6 1 1 . 1 1 2 2 GLN HA H 2 4.323 4.323 4.277 0.046 18657 7 1 1 . 1 1 2 2 GLN C C 2 176.004 176.004 175.503 0.501 18657 8 1 1 . 1 1 2 2 GLN CA C 2 55.835 55.835 55.556 0.279 18657 9 1 1 . 1 1 2 2 GLN CB C 2 29.640 29.640 29.130 0.510 18657 10 1 1 . 1 1 2 2 GLN H H 2 8.597 8.597 8.626 -0.029 18657 11 1 1 . 1 1 3 3 GLU N N 3 124.166 124.166 126.902 -2.736 18657 12 1 1 . 1 1 3 3 GLU HA H 3 4.294 4.294 4.532 -0.238 18657 13 1 1 . 1 1 3 3 GLU C C 3 177.305 177.305 175.346 1.959 18657 14 1 1 . 1 1 3 3 GLU CA C 3 56.597 56.597 55.605 0.992 18657 15 1 1 . 1 1 3 3 GLU CB C 3 32.196 32.196 31.193 1.003 18657 16 1 1 . 1 1 3 3 GLU H H 3 9.025 9.025 8.779 0.246 18657 17 1 1 . 1 1 4 4 SER N N 4 118.222 118.222 120.153 -1.931 18657 18 1 1 . 1 1 4 4 SER HA H 4 5.412 5.412 5.129 0.283 18657 19 1 1 . 1 1 4 4 SER C C 4 171.713 171.713 174.052 -2.339 18657 20 1 1 . 1 1 4 4 SER CA C 4 57.271 57.271 57.820 -0.549 18657 21 1 1 . 1 1 4 4 SER CB C 4 66.319 66.319 65.317 1.002 18657 22 1 1 . 1 1 4 4 SER H H 4 8.925 8.925 8.185 0.740 18657 23 1 1 . 1 1 5 5 VAL N N 5 122.304 122.304 123.404 -1.100 18657 24 1 1 . 1 1 5 5 VAL HA H 5 4.156 4.156 4.456 -0.300 18657 25 1 1 . 1 1 5 5 VAL C C 5 174.325 174.325 175.580 -1.255 18657 26 1 1 . 1 1 5 5 VAL CA C 5 63.408 63.408 63.751 -0.343 18657 27 1 1 . 1 1 5 5 VAL CB C 5 31.916 31.916 32.160 -0.244 18657 28 1 1 . 1 1 5 5 VAL H H 5 8.506 8.506 8.763 -0.257 18657 29 1 1 . 1 1 6 6 VAL N N 6 126.068 126.068 126.626 -0.558 18657 30 1 1 . 1 1 6 6 VAL HA H 6 4.512 4.512 4.286 0.226 18657 31 1 1 . 1 1 6 6 VAL C C 6 174.958 174.958 174.875 0.083 18657 32 1 1 . 1 1 6 6 VAL CA C 6 59.365 59.365 60.210 -0.845 18657 33 1 1 . 1 1 6 6 VAL CB C 6 36.189 36.189 34.460 1.729 18657 34 1 1 . 1 1 6 6 VAL H H 6 8.637 8.637 8.398 0.239 18657 35 1 1 . 1 1 7 7 ALA N N 7 126.887 126.887 129.782 -2.895 18657 36 1 1 . 1 1 7 7 ALA HA H 7 4.441 4.441 4.296 0.145 18657 37 1 1 . 1 1 7 7 ALA C C 7 178.642 178.642 177.962 0.680 18657 38 1 1 . 1 1 7 7 ALA CA C 7 53.079 53.079 52.497 0.582 18657 39 1 1 . 1 1 7 7 ALA CB C 7 19.055 19.055 18.712 0.343 18657 40 1 1 . 1 1 7 7 ALA H H 7 8.318 8.318 8.007 0.311 18657 41 1 1 . 1 1 8 8 ALA N N 8 129.962 129.962 127.725 2.237 18657 42 1 1 . 1 1 8 8 ALA HA H 8 4.162 4.162 4.117 0.045 18657 43 1 1 . 1 1 8 8 ALA C C 8 174.975 174.975 177.045 -2.070 18657 44 1 1 . 1 1 8 8 ALA CA C 8 52.229 52.229 53.909 -1.680 18657 45 1 1 . 1 1 8 8 ALA CB C 8 19.350 19.350 19.268 0.082 18657 46 1 1 . 1 1 8 8 ALA H H 8 9.248 9.248 8.247 1.001 18657 47 1 1 . 1 1 9 9 GLN N N 9 111.285 111.285 112.634 -1.349 18657 48 1 1 . 1 1 9 9 GLN HA H 9 4.510 4.510 4.400 0.110 18657 49 1 1 . 1 1 9 9 GLN C C 9 172.373 172.373 174.350 -1.977 18657 50 1 1 . 1 1 9 9 GLN CA C 9 52.613 52.613 53.721 -1.108 18657 51 1 1 . 1 1 9 9 GLN CB C 9 32.673 32.673 30.620 2.053 18657 52 1 1 . 1 1 9 9 GLN H H 9 7.709 7.709 7.514 0.195 18657 53 1 1 . 1 1 10 10 LEU N N 10 120.553 120.553 122.034 -1.481 18657 54 1 1 . 1 1 10 10 LEU HA H 10 4.541 4.541 4.195 0.346 18657 55 1 1 . 1 1 10 10 LEU C C 10 177.120 177.120 175.629 1.491 18657 56 1 1 . 1 1 10 10 LEU CA C 10 56.329 56.329 56.417 -0.088 18657 57 1 1 . 1 1 10 10 LEU CB C 10 41.176 41.176 42.338 -1.162 18657 58 1 1 . 1 1 10 10 LEU H H 10 8.501 8.501 8.526 -0.025 18657 59 1 1 . 1 1 11 11 ILE N N 11 132.775 132.775 126.790 5.985 18657 60 1 1 . 1 1 11 11 ILE HA H 11 4.604 4.604 4.569 0.035 18657 61 1 1 . 1 1 11 11 ILE CA C 11 59.247 59.247 57.881 1.366 18657 62 1 1 . 1 1 11 11 ILE CB C 11 39.630 39.630 41.348 -1.718 18657 63 1 1 . 1 1 11 11 ILE H H 11 9.329 9.329 8.543 0.786 18657 64 1 1 . 1 1 12 12 PRO HA H 12 4.392 4.392 4.468 -0.076 18657 65 1 1 . 1 1 12 12 PRO C C 12 176.644 176.644 176.269 0.375 18657 66 1 1 . 1 1 12 12 PRO CA C 12 61.904 61.904 61.675 0.229 18657 67 1 1 . 1 1 12 12 PRO CB C 12 32.576 32.576 32.217 0.359 18657 68 1 1 . 1 1 13 13 ILE N N 13 121.774 121.774 119.968 1.806 18657 69 1 1 . 1 1 13 13 ILE HA H 13 3.380 3.380 3.778 -0.398 18657 70 1 1 . 1 1 13 13 ILE C C 13 173.621 173.621 176.265 -2.644 18657 71 1 1 . 1 1 13 13 ILE CA C 13 63.705 63.705 62.629 1.076 18657 72 1 1 . 1 1 13 13 ILE CB C 13 38.836 38.836 38.572 0.264 18657 73 1 1 . 1 1 13 13 ILE H H 13 7.938 7.938 8.137 -0.199 18657 74 1 1 . 1 1 14 14 ASN N N 14 117.013 117.013 122.583 -5.570 18657 75 1 1 . 1 1 14 14 ASN HA H 14 4.565 4.565 4.468 0.097 18657 76 1 1 . 1 1 14 14 ASN C C 14 173.943 173.943 173.938 0.005 18657 77 1 1 . 1 1 14 14 ASN CA C 14 55.344 55.344 54.868 0.476 18657 78 1 1 . 1 1 14 14 ASN CB C 14 37.014 37.014 36.009 1.005 18657 79 1 1 . 1 1 14 14 ASN H H 14 7.240 7.240 9.036 -1.796 18657 80 1 1 . 1 1 15 15 THR N N 15 116.580 116.580 115.992 0.588 18657 81 1 1 . 1 1 15 15 THR HA H 15 3.966 3.966 4.397 -0.431 18657 82 1 1 . 1 1 15 15 THR C C 15 172.956 172.956 173.801 -0.845 18657 83 1 1 . 1 1 15 15 THR CA C 15 64.332 64.332 61.733 2.599 18657 84 1 1 . 1 1 15 15 THR CB C 15 69.532 69.532 69.970 -0.438 18657 85 1 1 . 1 1 15 15 THR H H 15 7.313 7.313 7.529 -0.216 18657 86 1 1 . 1 1 16 16 ALA N N 16 128.035 128.035 131.228 -3.193 18657 87 1 1 . 1 1 16 16 ALA HA H 16 4.246 4.246 4.127 0.119 18657 88 1 1 . 1 1 16 16 ALA C C 16 176.643 176.643 177.083 -0.440 18657 89 1 1 . 1 1 16 16 ALA CA C 16 50.750 50.750 52.285 -1.534 18657 90 1 1 . 1 1 16 16 ALA CB C 16 18.653 18.653 18.503 0.150 18657 91 1 1 . 1 1 16 16 ALA H H 16 8.545 8.545 8.778 -0.233 18657 92 1 1 . 1 1 17 17 LEU N N 17 125.094 125.094 126.505 -1.411 18657 93 1 1 . 1 1 17 17 LEU HA H 17 4.505 4.505 4.294 0.211 18657 94 1 1 . 1 1 17 17 LEU C C 17 178.848 178.848 177.043 1.805 18657 95 1 1 . 1 1 17 17 LEU CA C 17 56.127 56.127 55.600 0.527 18657 96 1 1 . 1 1 17 17 LEU CB C 17 42.573 42.573 42.694 -0.121 18657 97 1 1 . 1 1 17 17 LEU H H 17 9.114 9.114 8.325 0.789 18657 98 1 1 . 1 1 18 18 THR N N 18 113.568 113.568 112.987 0.581 18657 99 1 1 . 1 1 18 18 THR HA H 18 4.623 4.623 4.436 0.187 18657 100 1 1 . 1 1 18 18 THR C C 18 175.028 175.028 174.592 0.436 18657 101 1 1 . 1 1 18 18 THR CA C 18 58.935 58.935 60.575 -1.641 18657 102 1 1 . 1 1 18 18 THR CB C 18 71.185 71.185 71.266 -0.081 18657 103 1 1 . 1 1 18 18 THR H H 18 7.980 7.980 7.957 0.024 18657 104 1 1 . 1 1 19 19 LEU N N 19 121.118 121.118 121.588 -0.470 18657 105 1 1 . 1 1 19 19 LEU HA H 19 3.817 3.817 4.303 -0.486 18657 106 1 1 . 1 1 19 19 LEU C C 19 179.309 179.309 176.482 2.827 18657 107 1 1 . 1 1 19 19 LEU CA C 19 58.710 58.710 56.290 2.420 18657 108 1 1 . 1 1 19 19 LEU CB C 19 42.213 42.213 41.989 0.224 18657 109 1 1 . 1 1 19 19 LEU H H 19 8.882 8.882 8.544 0.338 18657 110 1 1 . 1 1 20 20 VAL N N 20 110.454 110.454 109.495 0.959 18657 111 1 1 . 1 1 20 20 VAL HA H 20 4.021 4.021 4.117 -0.096 18657 112 1 1 . 1 1 20 20 VAL C C 20 176.778 176.778 176.010 0.768 18657 113 1 1 . 1 1 20 20 VAL CA C 20 63.377 63.377 62.775 0.602 18657 114 1 1 . 1 1 20 20 VAL CB C 20 31.558 31.558 31.910 -0.352 18657 115 1 1 . 1 1 20 20 VAL H H 20 7.528 7.528 7.589 -0.061 18657 116 1 1 . 1 1 21 21 MET N N 21 116.848 116.848 118.150 -1.302 18657 117 1 1 . 1 1 21 21 MET HA H 21 3.940 3.940 4.601 -0.661 18657 118 1 1 . 1 1 21 21 MET C C 21 175.514 175.514 175.063 0.451 18657 119 1 1 . 1 1 21 21 MET CA C 21 57.965 57.965 55.605 2.360 18657 120 1 1 . 1 1 21 21 MET CB C 21 32.889 32.889 34.886 -1.997 18657 121 1 1 . 1 1 21 21 MET H H 21 7.518 7.518 8.069 -0.551 18657 122 1 1 . 1 1 22 22 MET N N 22 116.986 116.986 117.334 -0.348 18657 123 1 1 . 1 1 22 22 MET HA H 22 4.893 4.893 4.829 0.064 18657 124 1 1 . 1 1 22 22 MET C C 22 173.981 173.981 174.826 -0.845 18657 125 1 1 . 1 1 22 22 MET CA C 22 55.373 55.373 54.707 0.666 18657 126 1 1 . 1 1 22 22 MET CB C 22 37.383 37.383 36.976 0.407 18657 127 1 1 . 1 1 22 22 MET H H 22 7.709 7.709 7.376 0.333 18657 128 1 1 . 1 1 23 23 THR N N 23 118.163 118.163 113.143 5.020 18657 129 1 1 . 1 1 23 23 THR HA H 23 4.788 4.788 4.675 0.113 18657 130 1 1 . 1 1 23 23 THR C C 23 172.307 172.307 172.264 0.043 18657 131 1 1 . 1 1 23 23 THR CA C 23 58.678 58.678 61.038 -2.360 18657 132 1 1 . 1 1 23 23 THR CB C 23 69.836 69.836 70.899 -1.063 18657 133 1 1 . 1 1 23 23 THR H H 23 9.041 9.041 8.241 0.800 18657 134 1 1 . 1 1 24 24 THR N N 24 111.374 111.374 113.110 -1.736 18657 135 1 1 . 1 1 24 24 THR HA H 24 5.691 5.691 5.274 0.417 18657 136 1 1 . 1 1 24 24 THR C C 24 174.035 174.035 173.653 0.382 18657 137 1 1 . 1 1 24 24 THR CA C 24 58.843 58.843 60.374 -1.532 18657 138 1 1 . 1 1 24 24 THR CB C 24 71.456 71.456 71.667 -0.211 18657 139 1 1 . 1 1 24 24 THR H H 24 8.139 8.139 8.315 -0.176 18657 140 1 1 . 1 1 25 25 ARG N N 25 119.402 119.402 123.932 -4.530 18657 141 1 1 . 1 1 25 25 ARG HA H 25 4.575 4.575 4.481 0.094 18657 142 1 1 . 1 1 25 25 ARG C C 25 174.979 174.979 173.589 1.390 18657 143 1 1 . 1 1 25 25 ARG CA C 25 55.085 55.085 55.358 -0.274 18657 144 1 1 . 1 1 25 25 ARG CB C 25 35.806 35.806 34.113 1.693 18657 145 1 1 . 1 1 25 25 ARG H H 25 8.626 8.626 8.368 0.258 18657 146 1 1 . 1 1 26 26 VAL N N 26 124.668 124.668 124.803 -0.135 18657 147 1 1 . 1 1 26 26 VAL HA H 26 4.132 4.132 4.025 0.107 18657 148 1 1 . 1 1 26 26 VAL C C 26 174.893 174.893 176.303 -1.410 18657 149 1 1 . 1 1 26 26 VAL CA C 26 64.085 64.085 62.991 1.094 18657 150 1 1 . 1 1 26 26 VAL CB C 26 30.450 30.450 30.223 0.227 18657 151 1 1 . 1 1 26 26 VAL H H 26 9.050 9.050 8.466 0.584 18657 152 1 1 . 1 1 27 27 VAL N N 27 123.136 123.136 122.376 0.760 18657 153 1 1 . 1 1 27 27 VAL HA H 27 4.649 4.649 4.575 0.074 18657 154 1 1 . 1 1 27 27 VAL C C 27 174.747 174.747 173.908 0.839 18657 155 1 1 . 1 1 27 27 VAL CA C 27 59.232 59.232 59.755 -0.523 18657 156 1 1 . 1 1 27 27 VAL CB C 27 36.205 36.205 35.522 0.683 18657 157 1 1 . 1 1 27 27 VAL H H 27 8.266 8.266 7.815 0.451 18657 158 1 1 . 1 1 28 28 SER N N 28 116.564 116.564 116.276 0.288 18657 159 1 1 . 1 1 28 28 SER HA H 28 4.535 4.535 4.921 -0.386 18657 160 1 1 . 1 1 28 28 SER CA C 28 54.880 54.880 55.128 -0.248 18657 161 1 1 . 1 1 28 28 SER CB C 28 64.922 64.922 64.361 0.561 18657 162 1 1 . 1 1 28 28 SER H H 28 8.302 8.302 8.305 -0.003 18657 163 1 1 . 1 1 29 29 PRO HA H 29 4.774 4.774 4.684 0.090 18657 164 1 1 . 1 1 29 29 PRO C C 29 176.324 176.324 175.944 0.380 18657 165 1 1 . 1 1 29 29 PRO CA C 29 62.543 62.543 62.701 -0.158 18657 166 1 1 . 1 1 29 29 PRO CB C 29 34.561 34.561 32.257 2.304 18657 167 1 1 . 1 1 30 30 THR N N 30 113.418 113.418 112.273 1.145 18657 168 1 1 . 1 1 30 30 THR HA H 30 3.830 3.830 4.341 -0.511 18657 169 1 1 . 1 1 30 30 THR C C 30 174.556 174.556 174.423 0.133 18657 170 1 1 . 1 1 30 30 THR CA C 30 62.846 62.846 61.927 0.919 18657 171 1 1 . 1 1 30 30 THR CB C 30 69.384 69.384 69.770 -0.386 18657 172 1 1 . 1 1 30 30 THR H H 30 8.492 8.492 8.236 0.256 18657 173 1 1 . 1 1 31 31 GLY N N 31 109.224 109.224 109.245 -0.021 18657 174 1 1 . 1 1 31 31 GLY C C 31 174.722 174.722 173.369 1.353 18657 175 1 1 . 1 1 31 31 GLY CA C 31 44.844 44.844 43.560 1.284 18657 176 1 1 . 1 1 31 31 GLY H H 31 8.054 8.054 7.970 0.084 18657 177 1 1 . 1 1 32 32 ILE N N 32 128.549 128.549 122.534 6.015 18657 178 1 1 . 1 1 32 32 ILE HA H 32 3.959 3.959 3.983 -0.024 18657 179 1 1 . 1 1 32 32 ILE CA C 32 61.251 61.251 62.128 -0.877 18657 180 1 1 . 1 1 32 32 ILE CB C 32 39.665 39.665 37.547 2.118 18657 181 1 1 . 1 1 32 32 ILE H H 32 8.820 8.820 8.084 0.736 18657 182 1 1 . 1 1 33 33 PRO HA H 33 4.777 4.777 4.593 0.184 18657 183 1 1 . 1 1 33 33 PRO C C 33 177.878 177.878 177.316 0.562 18657 184 1 1 . 1 1 33 33 PRO CA C 33 63.110 63.110 62.418 0.692 18657 185 1 1 . 1 1 33 33 PRO CB C 33 32.793 32.793 32.180 0.613 18657 186 1 1 . 1 1 34 34 ALA N N 34 123.151 123.151 125.931 -2.780 18657 187 1 1 . 1 1 34 34 ALA HA H 34 3.722 3.722 4.042 -0.320 18657 188 1 1 . 1 1 34 34 ALA C C 34 179.547 179.547 179.489 0.058 18657 189 1 1 . 1 1 34 34 ALA CA C 34 54.835 54.835 54.867 -0.032 18657 190 1 1 . 1 1 34 34 ALA CB C 34 19.974 19.974 18.553 1.421 18657 191 1 1 . 1 1 34 34 ALA H H 34 7.973 7.973 8.733 -0.760 18657 192 1 1 . 1 1 35 35 GLU N N 35 116.421 116.421 117.313 -0.892 18657 193 1 1 . 1 1 35 35 GLU HA H 35 4.022 4.022 4.128 -0.106 18657 194 1 1 . 1 1 35 35 GLU C C 35 176.479 176.479 176.414 0.065 18657 195 1 1 . 1 1 35 35 GLU CA C 35 58.966 58.966 58.171 0.795 18657 196 1 1 . 1 1 35 35 GLU CB C 35 28.642 28.642 29.094 -0.452 18657 197 1 1 . 1 1 35 35 GLU H H 35 9.247 9.247 8.601 0.646 18657 198 1 1 . 1 1 36 36 ASP N N 36 118.097 118.097 118.837 -0.740 18657 199 1 1 . 1 1 36 36 ASP HA H 36 4.955 4.955 4.883 0.072 18657 200 1 1 . 1 1 36 36 ASP C C 36 176.823 176.823 176.712 0.111 18657 201 1 1 . 1 1 36 36 ASP CA C 36 54.568 54.568 53.877 0.692 18657 202 1 1 . 1 1 36 36 ASP CB C 36 40.971 40.971 40.529 0.442 18657 203 1 1 . 1 1 36 36 ASP H H 36 8.146 8.146 8.306 -0.160 18657 204 1 1 . 1 1 37 37 ILE N N 37 121.429 121.429 122.721 -1.292 18657 205 1 1 . 1 1 37 37 ILE HA H 37 3.636 3.636 3.961 -0.325 18657 206 1 1 . 1 1 37 37 ILE CA C 37 68.859 68.859 67.548 1.311 18657 207 1 1 . 1 1 37 37 ILE CB C 37 35.859 35.859 36.385 -0.526 18657 208 1 1 . 1 1 37 37 ILE H H 37 7.520 7.520 7.916 -0.396 18657 209 1 1 . 1 1 38 38 PRO HA H 38 4.183 4.183 4.407 -0.224 18657 210 1 1 . 1 1 38 38 PRO C C 38 179.052 179.052 176.950 2.102 18657 211 1 1 . 1 1 38 38 PRO CA C 38 65.906 65.906 64.567 1.339 18657 212 1 1 . 1 1 38 38 PRO CB C 38 31.030 31.030 31.018 0.012 18657 213 1 1 . 1 1 39 39 ARG N N 39 115.064 115.064 116.881 -1.817 18657 214 1 1 . 1 1 39 39 ARG HA H 39 4.237 4.237 4.385 -0.148 18657 215 1 1 . 1 1 39 39 ARG C C 39 176.002 176.002 177.858 -1.856 18657 216 1 1 . 1 1 39 39 ARG CA C 39 57.362 57.362 57.979 -0.617 18657 217 1 1 . 1 1 39 39 ARG CB C 39 30.510 30.510 31.316 -0.806 18657 218 1 1 . 1 1 39 39 ARG H H 39 7.367 7.367 7.955 -0.588 18657 219 1 1 . 1 1 40 40 LEU N N 40 118.158 118.158 118.624 -0.466 18657 220 1 1 . 1 1 40 40 LEU HA H 40 4.080 4.080 4.361 -0.281 18657 221 1 1 . 1 1 40 40 LEU C C 40 177.804 177.804 177.104 0.700 18657 222 1 1 . 1 1 40 40 LEU CA C 40 55.770 55.770 55.423 0.347 18657 223 1 1 . 1 1 40 40 LEU CB C 40 42.782 42.782 41.746 1.036 18657 224 1 1 . 1 1 40 40 LEU H H 40 7.782 7.782 8.317 -0.535 18657 225 1 1 . 1 1 41 41 ILE N N 41 115.608 115.608 118.246 -2.638 18657 226 1 1 . 1 1 41 41 ILE HA H 41 3.345 3.345 3.766 -0.421 18657 227 1 1 . 1 1 41 41 ILE C C 41 178.078 178.078 176.301 1.777 18657 228 1 1 . 1 1 41 41 ILE CA C 41 62.606 62.606 63.222 -0.616 18657 229 1 1 . 1 1 41 41 ILE CB C 41 36.606 36.606 36.470 0.136 18657 230 1 1 . 1 1 41 41 ILE H H 41 6.799 6.799 7.539 -0.740 18657 231 1 1 . 1 1 42 42 SER N N 42 121.395 121.395 118.596 2.799 18657 232 1 1 . 1 1 42 42 SER HA H 42 3.991 3.991 4.157 -0.166 18657 233 1 1 . 1 1 42 42 SER C C 42 173.816 173.816 173.680 0.136 18657 234 1 1 . 1 1 42 42 SER CA C 42 62.348 62.348 60.646 1.702 18657 235 1 1 . 1 1 42 42 SER CB C 42 62.947 62.947 63.420 -0.473 18657 236 1 1 . 1 1 42 42 SER H H 42 9.328 9.328 8.915 0.413 18657 237 1 1 . 1 1 43 43 MET N N 43 123.672 123.672 121.382 2.290 18657 238 1 1 . 1 1 43 43 MET HA H 43 4.449 4.449 4.677 -0.228 18657 239 1 1 . 1 1 43 43 MET C C 43 175.128 175.128 176.087 -0.959 18657 240 1 1 . 1 1 43 43 MET CA C 43 57.119 57.119 55.123 1.996 18657 241 1 1 . 1 1 43 43 MET CB C 43 32.831 32.831 33.333 -0.502 18657 242 1 1 . 1 1 43 43 MET H H 43 8.806 8.806 8.015 0.791 18657 243 1 1 . 1 1 44 44 GLN N N 44 118.463 118.463 122.899 -4.436 18657 244 1 1 . 1 1 44 44 GLN HA H 44 5.256 5.256 4.719 0.537 18657 245 1 1 . 1 1 44 44 GLN C C 44 177.035 177.035 175.784 1.251 18657 246 1 1 . 1 1 44 44 GLN CA C 44 54.304 54.304 55.102 -0.798 18657 247 1 1 . 1 1 44 44 GLN CB C 44 32.083 32.083 29.994 2.088 18657 248 1 1 . 1 1 44 44 GLN H H 44 8.947 8.947 8.707 0.240 18657 249 1 1 . 1 1 45 45 VAL N N 45 111.238 111.238 114.468 -3.230 18657 250 1 1 . 1 1 45 45 VAL HA H 45 5.297 5.297 4.595 0.702 18657 251 1 1 . 1 1 45 45 VAL C C 45 177.962 177.962 175.541 2.421 18657 252 1 1 . 1 1 45 45 VAL CA C 45 59.950 59.950 59.311 0.639 18657 253 1 1 . 1 1 45 45 VAL CB C 45 33.437 33.437 33.863 -0.426 18657 254 1 1 . 1 1 45 45 VAL H H 45 7.564 7.564 8.074 -0.510 18657 255 1 1 . 1 1 46 46 ASN N N 46 118.782 118.782 119.831 -1.049 18657 256 1 1 . 1 1 46 46 ASN HA H 46 4.716 4.716 4.813 -0.097 18657 257 1 1 . 1 1 46 46 ASN C C 46 174.812 174.812 174.788 0.024 18657 258 1 1 . 1 1 46 46 ASN CA C 46 51.680 51.680 51.999 -0.320 18657 259 1 1 . 1 1 46 46 ASN CB C 46 39.469 39.469 39.201 0.268 18657 260 1 1 . 1 1 46 46 ASN H H 46 8.556 8.556 8.415 0.141 18657 261 1 1 . 1 1 47 47 GLN N N 47 112.810 112.810 117.016 -4.206 18657 262 1 1 . 1 1 47 47 GLN HA H 47 4.549 4.549 4.281 0.268 18657 263 1 1 . 1 1 47 47 GLN C C 47 172.365 172.365 173.896 -1.531 18657 264 1 1 . 1 1 47 47 GLN CA C 47 53.013 53.013 55.027 -2.014 18657 265 1 1 . 1 1 47 47 GLN CB C 47 32.841 32.841 32.205 0.636 18657 266 1 1 . 1 1 47 47 GLN H H 47 7.663 7.663 7.622 0.041 18657 267 1 1 . 1 1 48 48 VAL N N 48 118.841 118.841 124.131 -5.290 18657 268 1 1 . 1 1 48 48 VAL HA H 48 4.184 4.184 3.972 0.212 18657 269 1 1 . 1 1 48 48 VAL C C 48 176.865 176.865 175.660 1.205 18657 270 1 1 . 1 1 48 48 VAL CA C 48 62.932 62.932 63.721 -0.789 18657 271 1 1 . 1 1 48 48 VAL CB C 48 31.788 31.788 31.575 0.213 18657 272 1 1 . 1 1 48 48 VAL H H 48 8.407 8.407 8.496 -0.089 18657 273 1 1 . 1 1 49 49 VAL N N 49 130.600 130.600 128.709 1.891 18657 274 1 1 . 1 1 49 49 VAL HA H 49 4.547 4.547 4.515 0.032 18657 275 1 1 . 1 1 49 49 VAL CA C 49 59.419 59.419 59.293 0.126 18657 276 1 1 . 1 1 49 49 VAL CB C 49 33.236 33.236 33.273 -0.037 18657 277 1 1 . 1 1 49 49 VAL H H 49 9.165 9.165 9.058 0.107 18657 278 1 1 . 1 1 50 50 PRO HA H 50 4.227 4.227 4.485 -0.258 18657 279 1 1 . 1 1 50 50 PRO C C 50 176.512 176.512 176.201 0.311 18657 280 1 1 . 1 1 50 50 PRO CA C 50 62.220 62.220 61.659 0.561 18657 281 1 1 . 1 1 50 50 PRO CB C 50 32.282 32.282 32.530 -0.248 18657 282 1 1 . 1 1 51 51 MET N N 51 123.146 123.146 119.861 3.285 18657 283 1 1 . 1 1 51 51 MET HA H 51 3.322 3.322 3.940 -0.618 18657 284 1 1 . 1 1 51 51 MET C C 51 176.953 176.953 177.809 -0.856 18657 285 1 1 . 1 1 51 51 MET CA C 51 58.534 58.534 57.792 0.742 18657 286 1 1 . 1 1 51 51 MET CB C 51 32.593 32.593 32.926 -0.333 18657 287 1 1 . 1 1 51 51 MET H H 51 8.598 8.598 8.347 0.251 18657 288 1 1 . 1 1 52 52 GLY N N 52 114.707 114.707 114.592 0.115 18657 289 1 1 . 1 1 52 52 GLY C C 52 173.693 173.693 174.362 -0.669 18657 290 1 1 . 1 1 52 52 GLY CA C 52 45.046 45.046 45.800 -0.754 18657 291 1 1 . 1 1 52 52 GLY H H 52 8.852 8.852 9.157 -0.305 18657 292 1 1 . 1 1 53 53 THR N N 53 119.372 119.372 120.533 -1.161 18657 293 1 1 . 1 1 53 53 THR HA H 53 4.143 4.143 4.365 -0.222 18657 294 1 1 . 1 1 53 53 THR C C 53 173.482 173.482 174.669 -1.187 18657 295 1 1 . 1 1 53 53 THR CA C 53 63.363 63.363 62.947 0.416 18657 296 1 1 . 1 1 53 53 THR CB C 53 69.448 69.448 68.600 0.847 18657 297 1 1 . 1 1 53 53 THR H H 53 7.706 7.706 7.813 -0.107 18657 298 1 1 . 1 1 54 54 THR N N 54 125.168 125.168 122.941 2.227 18657 299 1 1 . 1 1 54 54 THR HA H 54 4.137 4.137 4.153 -0.016 18657 300 1 1 . 1 1 54 54 THR C C 54 173.018 173.018 174.155 -1.137 18657 301 1 1 . 1 1 54 54 THR CA C 54 63.314 63.314 64.170 -0.856 18657 302 1 1 . 1 1 54 54 THR CB C 54 68.846 68.846 69.353 -0.506 18657 303 1 1 . 1 1 54 54 THR H H 54 8.914 8.914 8.551 0.363 18657 304 1 1 . 1 1 55 55 LEU N N 55 131.166 131.166 127.132 4.034 18657 305 1 1 . 1 1 55 55 LEU HA H 55 4.298 4.298 4.431 -0.133 18657 306 1 1 . 1 1 55 55 LEU C C 55 174.234 174.234 175.776 -1.542 18657 307 1 1 . 1 1 55 55 LEU CA C 55 55.132 55.132 54.487 0.645 18657 308 1 1 . 1 1 55 55 LEU CB C 55 42.317 42.317 43.141 -0.824 18657 309 1 1 . 1 1 55 55 LEU H H 55 9.006 9.006 8.779 0.227 18657 310 1 1 . 1 1 56 56 MET N N 56 126.627 126.627 122.237 4.390 18657 311 1 1 . 1 1 56 56 MET HA H 56 5.043 5.043 4.858 0.185 18657 312 1 1 . 1 1 56 56 MET CA C 56 51.058 51.058 52.445 -1.387 18657 313 1 1 . 1 1 56 56 MET CB C 56 31.593 31.593 33.099 -1.506 18657 314 1 1 . 1 1 56 56 MET H H 56 8.028 8.028 8.610 -0.582 18657 315 1 1 . 1 1 57 57 PRO HA H 57 3.695 3.695 3.531 0.164 18657 316 1 1 . 1 1 57 57 PRO C C 57 176.780 176.780 176.293 0.487 18657 317 1 1 . 1 1 57 57 PRO CA C 57 66.142 66.142 64.360 1.782 18657 318 1 1 . 1 1 57 57 PRO CB C 57 32.795 32.795 31.588 1.207 18657 319 1 1 . 1 1 58 58 ASP N N 58 110.360 110.360 116.373 -6.013 18657 320 1 1 . 1 1 58 58 ASP HA H 58 4.436 4.436 4.727 -0.291 18657 321 1 1 . 1 1 58 58 ASP C C 58 176.945 176.945 175.643 1.302 18657 322 1 1 . 1 1 58 58 ASP CA C 58 54.660 54.660 54.597 0.063 18657 323 1 1 . 1 1 58 58 ASP CB C 58 39.716 39.716 40.513 -0.797 18657 324 1 1 . 1 1 58 58 ASP H H 58 8.036 8.036 8.530 -0.494 18657 325 1 1 . 1 1 59 59 MET N N 59 116.951 116.951 117.145 -0.194 18657 326 1 1 . 1 1 59 59 MET HA H 59 4.642 4.642 4.849 -0.207 18657 327 1 1 . 1 1 59 59 MET C C 59 174.817 174.817 174.587 0.230 18657 328 1 1 . 1 1 59 59 MET CA C 59 56.757 56.757 55.479 1.278 18657 329 1 1 . 1 1 59 59 MET CB C 59 33.587 33.587 34.987 -1.400 18657 330 1 1 . 1 1 59 59 MET H H 59 8.066 8.066 7.388 0.678 18657 331 1 1 . 1 1 60 60 VAL N N 60 117.470 117.470 120.535 -3.065 18657 332 1 1 . 1 1 60 60 VAL HA H 60 4.351 4.351 4.399 -0.048 18657 333 1 1 . 1 1 60 60 VAL C C 60 176.067 176.067 175.033 1.034 18657 334 1 1 . 1 1 60 60 VAL CA C 60 61.229 61.229 60.766 0.463 18657 335 1 1 . 1 1 60 60 VAL CB C 60 33.146 33.146 34.346 -1.200 18657 336 1 1 . 1 1 60 60 VAL H H 60 7.109 7.109 7.263 -0.154 18657 337 1 1 . 1 1 61 61 LYS N N 61 128.839 128.839 128.251 0.588 18657 338 1 1 . 1 1 61 61 LYS HA H 61 4.122 4.122 4.361 -0.239 18657 339 1 1 . 1 1 61 61 LYS C C 61 177.652 177.652 176.985 0.667 18657 340 1 1 . 1 1 61 61 LYS CA C 61 58.146 58.146 56.706 1.440 18657 341 1 1 . 1 1 61 61 LYS CB C 61 32.336 32.336 33.097 -0.761 18657 342 1 1 . 1 1 61 61 LYS H H 61 9.069 9.069 8.452 0.617 18657 343 1 1 . 1 1 62 62 GLY N N 62 113.363 113.363 111.817 1.546 18657 344 1 1 . 1 1 62 62 GLY C C 62 174.621 174.621 174.383 0.238 18657 345 1 1 . 1 1 62 62 GLY CA C 62 45.506 45.506 45.337 0.169 18657 346 1 1 . 1 1 62 62 GLY H H 62 9.094 9.094 8.669 0.425 18657 347 1 1 . 1 1 63 63 TYR N N 63 120.959 120.959 119.818 1.141 18657 348 1 1 . 1 1 63 63 TYR HA H 63 3.971 3.971 4.585 -0.614 18657 349 1 1 . 1 1 63 63 TYR C C 63 174.228 174.228 174.590 -0.362 18657 350 1 1 . 1 1 63 63 TYR CA C 63 60.374 60.374 57.879 2.495 18657 351 1 1 . 1 1 63 63 TYR CB C 63 39.040 39.040 40.089 -1.049 18657 352 1 1 . 1 1 63 63 TYR H H 63 7.564 7.564 7.449 0.115 18657 353 1 1 . 1 1 64 64 ALA N N 64 129.533 129.533 122.895 6.638 18657 354 1 1 . 1 1 64 64 ALA HA H 64 4.425 4.425 4.408 0.017 18657 355 1 1 . 1 1 64 64 ALA CA C 64 49.480 49.480 50.928 -1.448 18657 356 1 1 . 1 1 64 64 ALA CB C 64 19.620 19.620 18.678 0.942 18657 357 1 1 . 1 1 64 64 ALA H H 64 7.546 7.546 6.732 0.814 18657 358 1 1 . 1 1 65 65 PRO HA H 65 4.250 4.250 4.483 -0.233 18657 359 1 1 . 1 1 65 65 PRO C C 65 175.380 175.380 176.654 -1.274 18657 360 1 1 . 1 1 65 65 PRO CA C 65 62.712 62.712 62.411 0.301 18657 361 1 1 . 1 1 65 65 PRO CB C 65 32.210 32.210 32.358 -0.148 18657 362 1 2 . 1 1 1 1 ASN HA H 1 4.703 4.703 4.971 -0.268 18657 363 1 2 . 1 1 1 1 ASN C C 1 174.258 174.258 174.060 0.198 18657 364 1 2 . 1 1 1 1 ASN CA C 1 53.192 53.192 53.129 0.063 18657 365 1 2 . 1 1 1 1 ASN CB C 1 38.954 38.954 39.571 -0.617 18657 366 1 2 . 1 1 2 2 GLN N N 2 120.041 120.041 123.795 -3.754 18657 367 1 2 . 1 1 2 2 GLN HA H 2 4.323 4.323 4.406 -0.083 18657 368 1 2 . 1 1 2 2 GLN C C 2 176.004 176.004 175.481 0.523 18657 369 1 2 . 1 1 2 2 GLN CA C 2 55.835 55.835 55.270 0.565 18657 370 1 2 . 1 1 2 2 GLN CB C 2 29.640 29.640 29.432 0.208 18657 371 1 2 . 1 1 2 2 GLN H H 2 8.597 8.597 8.571 0.026 18657 372 1 2 . 1 1 3 3 GLU N N 3 124.166 124.166 127.468 -3.302 18657 373 1 2 . 1 1 3 3 GLU HA H 3 4.294 4.294 4.484 -0.190 18657 374 1 2 . 1 1 3 3 GLU C C 3 177.305 177.305 175.453 1.852 18657 375 1 2 . 1 1 3 3 GLU CA C 3 56.597 56.597 55.872 0.725 18657 376 1 2 . 1 1 3 3 GLU CB C 3 32.196 32.196 30.747 1.449 18657 377 1 2 . 1 1 3 3 GLU H H 3 9.025 9.025 8.853 0.172 18657 378 1 2 . 1 1 4 4 SER N N 4 118.222 118.222 120.478 -2.256 18657 379 1 2 . 1 1 4 4 SER HA H 4 5.412 5.412 5.049 0.363 18657 380 1 2 . 1 1 4 4 SER C C 4 171.713 171.713 173.857 -2.144 18657 381 1 2 . 1 1 4 4 SER CA C 4 57.271 57.271 57.977 -0.706 18657 382 1 2 . 1 1 4 4 SER CB C 4 66.319 66.319 65.052 1.267 18657 383 1 2 . 1 1 4 4 SER H H 4 8.925 8.925 8.124 0.801 18657 384 1 2 . 1 1 5 5 VAL N N 5 122.304 122.304 123.637 -1.333 18657 385 1 2 . 1 1 5 5 VAL HA H 5 4.156 4.156 4.503 -0.347 18657 386 1 2 . 1 1 5 5 VAL C C 5 174.325 174.325 175.796 -1.471 18657 387 1 2 . 1 1 5 5 VAL CA C 5 63.408 63.408 63.319 0.089 18657 388 1 2 . 1 1 5 5 VAL CB C 5 31.916 31.916 31.441 0.475 18657 389 1 2 . 1 1 5 5 VAL H H 5 8.506 8.506 8.737 -0.231 18657 390 1 2 . 1 1 6 6 VAL N N 6 126.068 126.068 125.675 0.393 18657 391 1 2 . 1 1 6 6 VAL HA H 6 4.512 4.512 4.292 0.220 18657 392 1 2 . 1 1 6 6 VAL C C 6 174.958 174.958 174.730 0.228 18657 393 1 2 . 1 1 6 6 VAL CA C 6 59.365 59.365 60.197 -0.832 18657 394 1 2 . 1 1 6 6 VAL CB C 6 36.189 36.189 34.914 1.275 18657 395 1 2 . 1 1 6 6 VAL H H 6 8.637 8.637 8.469 0.168 18657 396 1 2 . 1 1 7 7 ALA N N 7 126.887 126.887 129.089 -2.202 18657 397 1 2 . 1 1 7 7 ALA HA H 7 4.441 4.441 4.282 0.159 18657 398 1 2 . 1 1 7 7 ALA C C 7 178.642 178.642 177.850 0.792 18657 399 1 2 . 1 1 7 7 ALA CA C 7 53.079 53.079 52.586 0.493 18657 400 1 2 . 1 1 7 7 ALA CB C 7 19.055 19.055 18.560 0.495 18657 401 1 2 . 1 1 7 7 ALA H H 7 8.318 8.318 8.234 0.084 18657 402 1 2 . 1 1 8 8 ALA N N 8 129.962 129.962 127.652 2.310 18657 403 1 2 . 1 1 8 8 ALA HA H 8 4.162 4.162 4.117 0.045 18657 404 1 2 . 1 1 8 8 ALA C C 8 174.975 174.975 177.054 -2.079 18657 405 1 2 . 1 1 8 8 ALA CA C 8 52.229 52.229 53.961 -1.732 18657 406 1 2 . 1 1 8 8 ALA CB C 8 19.350 19.350 19.234 0.116 18657 407 1 2 . 1 1 8 8 ALA H H 8 9.248 9.248 8.229 1.019 18657 408 1 2 . 1 1 9 9 GLN N N 9 111.285 111.285 112.486 -1.201 18657 409 1 2 . 1 1 9 9 GLN HA H 9 4.510 4.510 4.392 0.118 18657 410 1 2 . 1 1 9 9 GLN C C 9 172.373 172.373 174.278 -1.905 18657 411 1 2 . 1 1 9 9 GLN CA C 9 52.613 52.613 53.832 -1.219 18657 412 1 2 . 1 1 9 9 GLN CB C 9 32.673 32.673 30.592 2.081 18657 413 1 2 . 1 1 9 9 GLN H H 9 7.709 7.709 7.470 0.239 18657 414 1 2 . 1 1 10 10 LEU N N 10 120.553 120.553 122.061 -1.508 18657 415 1 2 . 1 1 10 10 LEU HA H 10 4.541 4.541 4.257 0.284 18657 416 1 2 . 1 1 10 10 LEU C C 10 177.120 177.120 175.577 1.543 18657 417 1 2 . 1 1 10 10 LEU CA C 10 56.329 56.329 56.206 0.123 18657 418 1 2 . 1 1 10 10 LEU CB C 10 41.176 41.176 42.230 -1.054 18657 419 1 2 . 1 1 10 10 LEU H H 10 8.501 8.501 8.496 0.005 18657 420 1 2 . 1 1 11 11 ILE N N 11 132.775 132.775 128.166 4.609 18657 421 1 2 . 1 1 11 11 ILE HA H 11 4.604 4.604 4.610 -0.006 18657 422 1 2 . 1 1 11 11 ILE CA C 11 59.247 59.247 57.735 1.512 18657 423 1 2 . 1 1 11 11 ILE CB C 11 39.630 39.630 40.873 -1.242 18657 424 1 2 . 1 1 11 11 ILE H H 11 9.329 9.329 8.917 0.412 18657 425 1 2 . 1 1 12 12 PRO HA H 12 4.392 4.392 4.448 -0.056 18657 426 1 2 . 1 1 12 12 PRO C C 12 176.644 176.644 176.186 0.458 18657 427 1 2 . 1 1 12 12 PRO CA C 12 61.904 61.904 61.703 0.201 18657 428 1 2 . 1 1 12 12 PRO CB C 12 32.576 32.576 32.223 0.353 18657 429 1 2 . 1 1 13 13 ILE N N 13 121.774 121.774 120.476 1.298 18657 430 1 2 . 1 1 13 13 ILE HA H 13 3.380 3.380 3.714 -0.334 18657 431 1 2 . 1 1 13 13 ILE C C 13 173.621 173.621 176.109 -2.488 18657 432 1 2 . 1 1 13 13 ILE CA C 13 63.705 63.705 62.437 1.268 18657 433 1 2 . 1 1 13 13 ILE CB C 13 38.836 38.836 38.599 0.237 18657 434 1 2 . 1 1 13 13 ILE H H 13 7.938 7.938 8.068 -0.130 18657 435 1 2 . 1 1 14 14 ASN N N 14 117.013 117.013 121.662 -4.649 18657 436 1 2 . 1 1 14 14 ASN HA H 14 4.565 4.565 4.477 0.088 18657 437 1 2 . 1 1 14 14 ASN C C 14 173.943 173.943 174.130 -0.187 18657 438 1 2 . 1 1 14 14 ASN CA C 14 55.344 55.344 54.794 0.550 18657 439 1 2 . 1 1 14 14 ASN CB C 14 37.014 37.014 36.694 0.320 18657 440 1 2 . 1 1 14 14 ASN H H 14 7.240 7.240 8.995 -1.755 18657 441 1 2 . 1 1 15 15 THR N N 15 116.580 116.580 116.259 0.321 18657 442 1 2 . 1 1 15 15 THR HA H 15 3.966 3.966 4.438 -0.472 18657 443 1 2 . 1 1 15 15 THR C C 15 172.956 172.956 173.821 -0.865 18657 444 1 2 . 1 1 15 15 THR CA C 15 64.332 64.332 61.121 3.211 18657 445 1 2 . 1 1 15 15 THR CB C 15 69.532 69.532 69.384 0.148 18657 446 1 2 . 1 1 15 15 THR H H 15 7.313 7.313 7.474 -0.161 18657 447 1 2 . 1 1 16 16 ALA N N 16 128.035 128.035 131.050 -3.015 18657 448 1 2 . 1 1 16 16 ALA HA H 16 4.246 4.246 4.203 0.043 18657 449 1 2 . 1 1 16 16 ALA C C 16 176.643 176.643 177.130 -0.487 18657 450 1 2 . 1 1 16 16 ALA CA C 16 50.750 50.750 52.195 -1.445 18657 451 1 2 . 1 1 16 16 ALA CB C 16 18.653 18.653 18.488 0.165 18657 452 1 2 . 1 1 16 16 ALA H H 16 8.545 8.545 8.707 -0.162 18657 453 1 2 . 1 1 17 17 LEU N N 17 125.094 125.094 126.395 -1.301 18657 454 1 2 . 1 1 17 17 LEU HA H 17 4.505 4.505 4.260 0.245 18657 455 1 2 . 1 1 17 17 LEU C C 17 178.848 178.848 177.135 1.713 18657 456 1 2 . 1 1 17 17 LEU CA C 17 56.127 56.127 55.722 0.405 18657 457 1 2 . 1 1 17 17 LEU CB C 17 42.573 42.573 42.690 -0.117 18657 458 1 2 . 1 1 17 17 LEU H H 17 9.114 9.114 8.309 0.805 18657 459 1 2 . 1 1 18 18 THR N N 18 113.568 113.568 112.808 0.760 18657 460 1 2 . 1 1 18 18 THR HA H 18 4.623 4.623 4.436 0.187 18657 461 1 2 . 1 1 18 18 THR C C 18 175.028 175.028 174.607 0.421 18657 462 1 2 . 1 1 18 18 THR CA C 18 58.935 58.935 60.591 -1.656 18657 463 1 2 . 1 1 18 18 THR CB C 18 71.185 71.185 71.219 -0.035 18657 464 1 2 . 1 1 18 18 THR H H 18 7.980 7.980 7.952 0.028 18657 465 1 2 . 1 1 19 19 LEU N N 19 121.118 121.118 121.636 -0.518 18657 466 1 2 . 1 1 19 19 LEU HA H 19 3.817 3.817 4.302 -0.485 18657 467 1 2 . 1 1 19 19 LEU C C 19 179.309 179.309 176.501 2.808 18657 468 1 2 . 1 1 19 19 LEU CA C 19 58.710 58.710 56.316 2.393 18657 469 1 2 . 1 1 19 19 LEU CB C 19 42.213 42.213 42.002 0.211 18657 470 1 2 . 1 1 19 19 LEU H H 19 8.882 8.882 8.538 0.344 18657 471 1 2 . 1 1 20 20 VAL N N 20 110.454 110.454 109.500 0.954 18657 472 1 2 . 1 1 20 20 VAL HA H 20 4.021 4.021 4.111 -0.090 18657 473 1 2 . 1 1 20 20 VAL C C 20 176.778 176.778 175.983 0.795 18657 474 1 2 . 1 1 20 20 VAL CA C 20 63.377 63.377 62.809 0.569 18657 475 1 2 . 1 1 20 20 VAL CB C 20 31.558 31.558 31.864 -0.306 18657 476 1 2 . 1 1 20 20 VAL H H 20 7.528 7.528 7.603 -0.075 18657 477 1 2 . 1 1 21 21 MET N N 21 116.848 116.848 118.113 -1.265 18657 478 1 2 . 1 1 21 21 MET HA H 21 3.940 3.940 4.596 -0.656 18657 479 1 2 . 1 1 21 21 MET C C 21 175.514 175.514 175.084 0.430 18657 480 1 2 . 1 1 21 21 MET CA C 21 57.965 57.965 55.592 2.373 18657 481 1 2 . 1 1 21 21 MET CB C 21 32.889 32.889 34.899 -2.010 18657 482 1 2 . 1 1 21 21 MET H H 21 7.518 7.518 8.069 -0.551 18657 483 1 2 . 1 1 22 22 MET N N 22 116.986 116.986 117.596 -0.610 18657 484 1 2 . 1 1 22 22 MET HA H 22 4.893 4.893 4.891 0.002 18657 485 1 2 . 1 1 22 22 MET C C 22 173.981 173.981 174.659 -0.678 18657 486 1 2 . 1 1 22 22 MET CA C 22 55.373 55.373 54.645 0.728 18657 487 1 2 . 1 1 22 22 MET CB C 22 37.383 37.383 37.286 0.097 18657 488 1 2 . 1 1 22 22 MET H H 22 7.709 7.709 7.380 0.329 18657 489 1 2 . 1 1 23 23 THR N N 23 118.163 118.163 113.325 4.838 18657 490 1 2 . 1 1 23 23 THR HA H 23 4.788 4.788 4.636 0.152 18657 491 1 2 . 1 1 23 23 THR C C 23 172.307 172.307 172.581 -0.274 18657 492 1 2 . 1 1 23 23 THR CA C 23 58.678 58.678 60.562 -1.884 18657 493 1 2 . 1 1 23 23 THR CB C 23 69.836 69.836 70.412 -0.576 18657 494 1 2 . 1 1 23 23 THR H H 23 9.041 9.041 8.197 0.844 18657 495 1 2 . 1 1 24 24 THR N N 24 111.374 111.374 113.044 -1.670 18657 496 1 2 . 1 1 24 24 THR HA H 24 5.691 5.691 5.136 0.555 18657 497 1 2 . 1 1 24 24 THR C C 24 174.035 174.035 173.522 0.513 18657 498 1 2 . 1 1 24 24 THR CA C 24 58.843 58.843 60.220 -1.377 18657 499 1 2 . 1 1 24 24 THR CB C 24 71.456 71.456 71.422 0.034 18657 500 1 2 . 1 1 24 24 THR H H 24 8.139 8.139 8.177 -0.038 18657 501 1 2 . 1 1 25 25 ARG N N 25 119.402 119.402 123.360 -3.958 18657 502 1 2 . 1 1 25 25 ARG HA H 25 4.575 4.575 4.501 0.074 18657 503 1 2 . 1 1 25 25 ARG C C 25 174.979 174.979 173.655 1.324 18657 504 1 2 . 1 1 25 25 ARG CA C 25 55.085 55.085 55.479 -0.394 18657 505 1 2 . 1 1 25 25 ARG CB C 25 35.806 35.806 33.859 1.947 18657 506 1 2 . 1 1 25 25 ARG H H 25 8.626 8.626 8.382 0.244 18657 507 1 2 . 1 1 26 26 VAL N N 26 124.668 124.668 125.078 -0.410 18657 508 1 2 . 1 1 26 26 VAL HA H 26 4.132 4.132 4.009 0.123 18657 509 1 2 . 1 1 26 26 VAL C C 26 174.893 174.893 176.052 -1.159 18657 510 1 2 . 1 1 26 26 VAL CA C 26 64.085 64.085 63.368 0.717 18657 511 1 2 . 1 1 26 26 VAL CB C 26 30.450 30.450 30.434 0.016 18657 512 1 2 . 1 1 26 26 VAL H H 26 9.050 9.050 8.528 0.522 18657 513 1 2 . 1 1 27 27 VAL N N 27 123.136 123.136 122.658 0.478 18657 514 1 2 . 1 1 27 27 VAL HA H 27 4.649 4.649 4.513 0.136 18657 515 1 2 . 1 1 27 27 VAL C C 27 174.747 174.747 174.087 0.660 18657 516 1 2 . 1 1 27 27 VAL CA C 27 59.232 59.232 59.824 -0.592 18657 517 1 2 . 1 1 27 27 VAL CB C 27 36.205 36.205 35.112 1.093 18657 518 1 2 . 1 1 27 27 VAL H H 27 8.266 8.266 7.867 0.399 18657 519 1 2 . 1 1 28 28 SER N N 28 116.564 116.564 116.113 0.451 18657 520 1 2 . 1 1 28 28 SER HA H 28 4.535 4.535 4.953 -0.418 18657 521 1 2 . 1 1 28 28 SER CA C 28 54.880 54.880 55.498 -0.619 18657 522 1 2 . 1 1 28 28 SER CB C 28 64.922 64.922 64.737 0.185 18657 523 1 2 . 1 1 28 28 SER H H 28 8.302 8.302 8.326 -0.024 18657 524 1 2 . 1 1 29 29 PRO HA H 29 4.774 4.774 4.644 0.130 18657 525 1 2 . 1 1 29 29 PRO C C 29 176.324 176.324 176.132 0.192 18657 526 1 2 . 1 1 29 29 PRO CA C 29 62.543 62.543 62.579 -0.036 18657 527 1 2 . 1 1 29 29 PRO CB C 29 34.561 34.561 32.282 2.279 18657 528 1 2 . 1 1 30 30 THR N N 30 113.418 113.418 112.613 0.805 18657 529 1 2 . 1 1 30 30 THR HA H 30 3.830 3.830 4.311 -0.481 18657 530 1 2 . 1 1 30 30 THR C C 30 174.556 174.556 174.274 0.282 18657 531 1 2 . 1 1 30 30 THR CA C 30 62.846 62.846 61.947 0.899 18657 532 1 2 . 1 1 30 30 THR CB C 30 69.384 69.384 69.526 -0.142 18657 533 1 2 . 1 1 30 30 THR H H 30 8.492 8.492 8.258 0.234 18657 534 1 2 . 1 1 31 31 GLY N N 31 109.224 109.224 108.892 0.332 18657 535 1 2 . 1 1 31 31 GLY C C 31 174.722 174.722 173.430 1.292 18657 536 1 2 . 1 1 31 31 GLY CA C 31 44.844 44.844 43.640 1.204 18657 537 1 2 . 1 1 31 31 GLY H H 31 8.054 8.054 7.970 0.084 18657 538 1 2 . 1 1 32 32 ILE N N 32 128.549 128.549 122.633 5.916 18657 539 1 2 . 1 1 32 32 ILE HA H 32 3.959 3.959 4.052 -0.093 18657 540 1 2 . 1 1 32 32 ILE CA C 32 61.251 61.251 62.059 -0.808 18657 541 1 2 . 1 1 32 32 ILE CB C 32 39.665 39.665 37.547 2.119 18657 542 1 2 . 1 1 32 32 ILE H H 32 8.820 8.820 8.279 0.541 18657 543 1 2 . 1 1 33 33 PRO HA H 33 4.777 4.777 4.568 0.209 18657 544 1 2 . 1 1 33 33 PRO C C 33 177.878 177.878 177.252 0.626 18657 545 1 2 . 1 1 33 33 PRO CA C 33 63.110 63.110 62.438 0.672 18657 546 1 2 . 1 1 33 33 PRO CB C 33 32.793 32.793 32.124 0.669 18657 547 1 2 . 1 1 34 34 ALA N N 34 123.151 123.151 126.006 -2.855 18657 548 1 2 . 1 1 34 34 ALA HA H 34 3.722 3.722 4.045 -0.323 18657 549 1 2 . 1 1 34 34 ALA C C 34 179.547 179.547 179.488 0.059 18657 550 1 2 . 1 1 34 34 ALA CA C 34 54.835 54.835 54.849 -0.014 18657 551 1 2 . 1 1 34 34 ALA CB C 34 19.974 19.974 18.545 1.429 18657 552 1 2 . 1 1 34 34 ALA H H 34 7.973 7.973 8.519 -0.546 18657 553 1 2 . 1 1 35 35 GLU N N 35 116.421 116.421 116.352 0.069 18657 554 1 2 . 1 1 35 35 GLU HA H 35 4.022 4.022 4.122 -0.100 18657 555 1 2 . 1 1 35 35 GLU C C 35 176.479 176.479 176.811 -0.332 18657 556 1 2 . 1 1 35 35 GLU CA C 35 58.966 58.966 57.868 1.097 18657 557 1 2 . 1 1 35 35 GLU CB C 35 28.642 28.642 29.130 -0.488 18657 558 1 2 . 1 1 35 35 GLU H H 35 9.247 9.247 8.706 0.541 18657 559 1 2 . 1 1 36 36 ASP N N 36 118.097 118.097 118.050 0.047 18657 560 1 2 . 1 1 36 36 ASP HA H 36 4.955 4.955 4.898 0.057 18657 561 1 2 . 1 1 36 36 ASP C C 36 176.823 176.823 176.467 0.356 18657 562 1 2 . 1 1 36 36 ASP CA C 36 54.568 54.568 53.956 0.612 18657 563 1 2 . 1 1 36 36 ASP CB C 36 40.971 40.971 41.405 -0.434 18657 564 1 2 . 1 1 36 36 ASP H H 36 8.146 8.146 8.129 0.017 18657 565 1 2 . 1 1 37 37 ILE N N 37 121.429 121.429 122.524 -1.095 18657 566 1 2 . 1 1 37 37 ILE HA H 37 3.636 3.636 3.922 -0.286 18657 567 1 2 . 1 1 37 37 ILE CA C 37 68.859 68.859 67.548 1.311 18657 568 1 2 . 1 1 37 37 ILE CB C 37 35.859 35.859 36.274 -0.415 18657 569 1 2 . 1 1 37 37 ILE H H 37 7.520 7.520 7.794 -0.274 18657 570 1 2 . 1 1 38 38 PRO HA H 38 4.183 4.183 4.395 -0.212 18657 571 1 2 . 1 1 38 38 PRO C C 38 179.052 179.052 177.208 1.844 18657 572 1 2 . 1 1 38 38 PRO CA C 38 65.906 65.906 64.777 1.129 18657 573 1 2 . 1 1 38 38 PRO CB C 38 31.030 31.030 31.152 -0.122 18657 574 1 2 . 1 1 39 39 ARG N N 39 115.064 115.064 116.659 -1.595 18657 575 1 2 . 1 1 39 39 ARG HA H 39 4.237 4.237 4.283 -0.046 18657 576 1 2 . 1 1 39 39 ARG C C 39 176.002 176.002 177.890 -1.888 18657 577 1 2 . 1 1 39 39 ARG CA C 39 57.362 57.362 58.346 -0.984 18657 578 1 2 . 1 1 39 39 ARG CB C 39 30.510 30.510 30.956 -0.446 18657 579 1 2 . 1 1 39 39 ARG H H 39 7.367 7.367 7.916 -0.549 18657 580 1 2 . 1 1 40 40 LEU N N 40 118.158 118.158 118.185 -0.027 18657 581 1 2 . 1 1 40 40 LEU HA H 40 4.080 4.080 4.383 -0.303 18657 582 1 2 . 1 1 40 40 LEU C C 40 177.804 177.804 177.115 0.689 18657 583 1 2 . 1 1 40 40 LEU CA C 40 55.770 55.770 55.468 0.302 18657 584 1 2 . 1 1 40 40 LEU CB C 40 42.782 42.782 42.030 0.752 18657 585 1 2 . 1 1 40 40 LEU H H 40 7.782 7.782 8.282 -0.500 18657 586 1 2 . 1 1 41 41 ILE N N 41 115.608 115.608 118.495 -2.887 18657 587 1 2 . 1 1 41 41 ILE HA H 41 3.345 3.345 3.771 -0.426 18657 588 1 2 . 1 1 41 41 ILE C C 41 178.078 178.078 176.313 1.765 18657 589 1 2 . 1 1 41 41 ILE CA C 41 62.606 62.606 63.209 -0.603 18657 590 1 2 . 1 1 41 41 ILE CB C 41 36.606 36.606 36.469 0.137 18657 591 1 2 . 1 1 41 41 ILE H H 41 6.799 6.799 7.439 -0.640 18657 592 1 2 . 1 1 42 42 SER N N 42 121.395 121.395 118.406 2.989 18657 593 1 2 . 1 1 42 42 SER HA H 42 3.991 3.991 4.163 -0.172 18657 594 1 2 . 1 1 42 42 SER C C 42 173.816 173.816 173.627 0.189 18657 595 1 2 . 1 1 42 42 SER CA C 42 62.348 62.348 60.641 1.707 18657 596 1 2 . 1 1 42 42 SER CB C 42 62.947 62.947 63.394 -0.447 18657 597 1 2 . 1 1 42 42 SER H H 42 9.328 9.328 8.915 0.413 18657 598 1 2 . 1 1 43 43 MET N N 43 123.672 123.672 121.561 2.111 18657 599 1 2 . 1 1 43 43 MET HA H 43 4.449 4.449 4.666 -0.217 18657 600 1 2 . 1 1 43 43 MET C C 43 175.128 175.128 176.171 -1.043 18657 601 1 2 . 1 1 43 43 MET CA C 43 57.119 57.119 55.123 1.996 18657 602 1 2 . 1 1 43 43 MET CB C 43 32.831 32.831 33.115 -0.284 18657 603 1 2 . 1 1 43 43 MET H H 43 8.806 8.806 8.042 0.764 18657 604 1 2 . 1 1 44 44 GLN N N 44 118.463 118.463 123.363 -4.900 18657 605 1 2 . 1 1 44 44 GLN HA H 44 5.256 5.256 4.665 0.591 18657 606 1 2 . 1 1 44 44 GLN C C 44 177.035 177.035 175.723 1.312 18657 607 1 2 . 1 1 44 44 GLN CA C 44 54.304 54.304 55.368 -1.064 18657 608 1 2 . 1 1 44 44 GLN CB C 44 32.083 32.083 29.855 2.228 18657 609 1 2 . 1 1 44 44 GLN H H 44 8.947 8.947 8.739 0.208 18657 610 1 2 . 1 1 45 45 VAL N N 45 111.238 111.238 113.999 -2.761 18657 611 1 2 . 1 1 45 45 VAL HA H 45 5.297 5.297 4.621 0.676 18657 612 1 2 . 1 1 45 45 VAL C C 45 177.962 177.962 175.358 2.604 18657 613 1 2 . 1 1 45 45 VAL CA C 45 59.950 59.950 59.154 0.796 18657 614 1 2 . 1 1 45 45 VAL CB C 45 33.437 33.437 34.326 -0.889 18657 615 1 2 . 1 1 45 45 VAL H H 45 7.564 7.564 8.098 -0.534 18657 616 1 2 . 1 1 46 46 ASN N N 46 118.782 118.782 119.532 -0.750 18657 617 1 2 . 1 1 46 46 ASN HA H 46 4.716 4.716 4.826 -0.110 18657 618 1 2 . 1 1 46 46 ASN C C 46 174.812 174.812 174.783 0.029 18657 619 1 2 . 1 1 46 46 ASN CA C 46 51.680 51.680 51.970 -0.290 18657 620 1 2 . 1 1 46 46 ASN CB C 46 39.469 39.469 39.075 0.394 18657 621 1 2 . 1 1 46 46 ASN H H 46 8.556 8.556 8.535 0.021 18657 622 1 2 . 1 1 47 47 GLN N N 47 112.810 112.810 117.380 -4.570 18657 623 1 2 . 1 1 47 47 GLN HA H 47 4.549 4.549 4.310 0.239 18657 624 1 2 . 1 1 47 47 GLN C C 47 172.365 172.365 173.726 -1.361 18657 625 1 2 . 1 1 47 47 GLN CA C 47 53.013 53.013 55.045 -2.033 18657 626 1 2 . 1 1 47 47 GLN CB C 47 32.841 32.841 31.862 0.979 18657 627 1 2 . 1 1 47 47 GLN H H 47 7.663 7.663 7.594 0.069 18657 628 1 2 . 1 1 48 48 VAL N N 48 118.841 118.841 124.717 -5.876 18657 629 1 2 . 1 1 48 48 VAL HA H 48 4.184 4.184 3.923 0.261 18657 630 1 2 . 1 1 48 48 VAL C C 48 176.865 176.865 175.538 1.327 18657 631 1 2 . 1 1 48 48 VAL CA C 48 62.932 62.932 63.894 -0.962 18657 632 1 2 . 1 1 48 48 VAL CB C 48 31.788 31.788 31.806 -0.018 18657 633 1 2 . 1 1 48 48 VAL H H 48 8.407 8.407 8.489 -0.082 18657 634 1 2 . 1 1 49 49 VAL N N 49 130.600 130.600 128.174 2.426 18657 635 1 2 . 1 1 49 49 VAL HA H 49 4.547 4.547 4.563 -0.016 18657 636 1 2 . 1 1 49 49 VAL CA C 49 59.419 59.419 59.120 0.298 18657 637 1 2 . 1 1 49 49 VAL CB C 49 33.236 33.236 33.066 0.170 18657 638 1 2 . 1 1 49 49 VAL H H 49 9.165 9.165 8.920 0.245 18657 639 1 2 . 1 1 50 50 PRO HA H 50 4.227 4.227 4.477 -0.250 18657 640 1 2 . 1 1 50 50 PRO C C 50 176.512 176.512 176.130 0.382 18657 641 1 2 . 1 1 50 50 PRO CA C 50 62.220 62.220 61.625 0.595 18657 642 1 2 . 1 1 50 50 PRO CB C 50 32.282 32.282 32.516 -0.234 18657 643 1 2 . 1 1 51 51 MET N N 51 123.146 123.146 118.717 4.429 18657 644 1 2 . 1 1 51 51 MET HA H 51 3.322 3.322 4.069 -0.747 18657 645 1 2 . 1 1 51 51 MET C C 51 176.953 176.953 177.853 -0.900 18657 646 1 2 . 1 1 51 51 MET CA C 51 58.534 58.534 57.560 0.974 18657 647 1 2 . 1 1 51 51 MET CB C 51 32.593 32.593 33.194 -0.601 18657 648 1 2 . 1 1 51 51 MET H H 51 8.598 8.598 8.262 0.336 18657 649 1 2 . 1 1 52 52 GLY N N 52 114.707 114.707 113.412 1.295 18657 650 1 2 . 1 1 52 52 GLY C C 52 173.693 173.693 174.219 -0.526 18657 651 1 2 . 1 1 52 52 GLY CA C 52 45.046 45.046 45.694 -0.648 18657 652 1 2 . 1 1 52 52 GLY H H 52 8.852 8.852 9.032 -0.180 18657 653 1 2 . 1 1 53 53 THR N N 53 119.372 119.372 119.731 -0.359 18657 654 1 2 . 1 1 53 53 THR HA H 53 4.143 4.143 4.327 -0.184 18657 655 1 2 . 1 1 53 53 THR C C 53 173.482 173.482 174.623 -1.141 18657 656 1 2 . 1 1 53 53 THR CA C 53 63.363 63.363 61.959 1.404 18657 657 1 2 . 1 1 53 53 THR CB C 53 69.448 69.448 69.200 0.248 18657 658 1 2 . 1 1 53 53 THR H H 53 7.706 7.706 7.572 0.134 18657 659 1 2 . 1 1 54 54 THR N N 54 125.168 125.168 123.791 1.377 18657 660 1 2 . 1 1 54 54 THR HA H 54 4.137 4.137 4.079 0.058 18657 661 1 2 . 1 1 54 54 THR C C 54 173.018 173.018 173.823 -0.805 18657 662 1 2 . 1 1 54 54 THR CA C 54 63.314 63.314 64.105 -0.791 18657 663 1 2 . 1 1 54 54 THR CB C 54 68.846 68.846 69.428 -0.582 18657 664 1 2 . 1 1 54 54 THR H H 54 8.914 8.914 8.678 0.236 18657 665 1 2 . 1 1 55 55 LEU N N 55 131.166 131.166 126.846 4.320 18657 666 1 2 . 1 1 55 55 LEU HA H 55 4.298 4.298 4.521 -0.223 18657 667 1 2 . 1 1 55 55 LEU C C 55 174.234 174.234 175.362 -1.128 18657 668 1 2 . 1 1 55 55 LEU CA C 55 55.132 55.132 53.682 1.450 18657 669 1 2 . 1 1 55 55 LEU CB C 55 42.317 42.317 42.266 0.051 18657 670 1 2 . 1 1 55 55 LEU H H 55 9.006 9.006 8.808 0.198 18657 671 1 2 . 1 1 56 56 MET N N 56 126.627 126.627 124.703 1.924 18657 672 1 2 . 1 1 56 56 MET HA H 56 5.043 5.043 4.871 0.172 18657 673 1 2 . 1 1 56 56 MET CA C 56 51.058 51.058 52.435 -1.377 18657 674 1 2 . 1 1 56 56 MET CB C 56 31.593 31.593 32.872 -1.279 18657 675 1 2 . 1 1 56 56 MET H H 56 8.028 8.028 8.756 -0.728 18657 676 1 2 . 1 1 57 57 PRO HA H 57 3.695 3.695 3.451 0.244 18657 677 1 2 . 1 1 57 57 PRO C C 57 176.780 176.780 176.553 0.227 18657 678 1 2 . 1 1 57 57 PRO CA C 57 66.142 66.142 64.451 1.691 18657 679 1 2 . 1 1 57 57 PRO CB C 57 32.795 32.795 31.360 1.435 18657 680 1 2 . 1 1 58 58 ASP N N 58 110.360 110.360 116.235 -5.875 18657 681 1 2 . 1 1 58 58 ASP HA H 58 4.436 4.436 4.628 -0.192 18657 682 1 2 . 1 1 58 58 ASP C C 58 176.945 176.945 176.030 0.915 18657 683 1 2 . 1 1 58 58 ASP CA C 58 54.660 54.660 54.061 0.599 18657 684 1 2 . 1 1 58 58 ASP CB C 58 39.716 39.716 40.497 -0.781 18657 685 1 2 . 1 1 58 58 ASP H H 58 8.036 8.036 8.518 -0.482 18657 686 1 2 . 1 1 59 59 MET N N 59 116.951 116.951 116.959 -0.008 18657 687 1 2 . 1 1 59 59 MET HA H 59 4.642 4.642 4.797 -0.155 18657 688 1 2 . 1 1 59 59 MET C C 59 174.817 174.817 174.617 0.200 18657 689 1 2 . 1 1 59 59 MET CA C 59 56.757 56.757 55.252 1.505 18657 690 1 2 . 1 1 59 59 MET CB C 59 33.587 33.587 34.787 -1.200 18657 691 1 2 . 1 1 59 59 MET H H 59 8.066 8.066 7.339 0.727 18657 692 1 2 . 1 1 60 60 VAL N N 60 117.470 117.470 120.556 -3.086 18657 693 1 2 . 1 1 60 60 VAL HA H 60 4.351 4.351 4.456 -0.105 18657 694 1 2 . 1 1 60 60 VAL C C 60 176.067 176.067 175.065 1.002 18657 695 1 2 . 1 1 60 60 VAL CA C 60 61.229 61.229 60.823 0.406 18657 696 1 2 . 1 1 60 60 VAL CB C 60 33.146 33.146 34.101 -0.955 18657 697 1 2 . 1 1 60 60 VAL H H 60 7.109 7.109 7.223 -0.114 18657 698 1 2 . 1 1 61 61 LYS N N 61 128.839 128.839 128.069 0.770 18657 699 1 2 . 1 1 61 61 LYS HA H 61 4.122 4.122 4.357 -0.235 18657 700 1 2 . 1 1 61 61 LYS C C 61 177.652 177.652 177.050 0.602 18657 701 1 2 . 1 1 61 61 LYS CA C 61 58.146 58.146 56.699 1.447 18657 702 1 2 . 1 1 61 61 LYS CB C 61 32.336 32.336 33.189 -0.853 18657 703 1 2 . 1 1 61 61 LYS H H 61 9.069 9.069 8.399 0.670 18657 704 1 2 . 1 1 62 62 GLY N N 62 113.363 113.363 111.493 1.870 18657 705 1 2 . 1 1 62 62 GLY C C 62 174.621 174.621 174.406 0.215 18657 706 1 2 . 1 1 62 62 GLY CA C 62 45.506 45.506 45.428 0.078 18657 707 1 2 . 1 1 62 62 GLY H H 62 9.094 9.094 8.676 0.418 18657 708 1 2 . 1 1 63 63 TYR N N 63 120.959 120.959 119.649 1.310 18657 709 1 2 . 1 1 63 63 TYR HA H 63 3.971 3.971 4.594 -0.623 18657 710 1 2 . 1 1 63 63 TYR C C 63 174.228 174.228 174.545 -0.317 18657 711 1 2 . 1 1 63 63 TYR CA C 63 60.374 60.374 57.870 2.503 18657 712 1 2 . 1 1 63 63 TYR CB C 63 39.040 39.040 40.076 -1.036 18657 713 1 2 . 1 1 63 63 TYR H H 63 7.564 7.564 7.432 0.132 18657 714 1 2 . 1 1 64 64 ALA N N 64 129.533 129.533 122.876 6.657 18657 715 1 2 . 1 1 64 64 ALA HA H 64 4.425 4.425 4.514 -0.089 18657 716 1 2 . 1 1 64 64 ALA CA C 64 49.480 49.480 50.847 -1.367 18657 717 1 2 . 1 1 64 64 ALA CB C 64 19.620 19.620 19.153 0.467 18657 718 1 2 . 1 1 64 64 ALA H H 64 7.546 7.546 6.648 0.898 18657 719 1 2 . 1 1 65 65 PRO HA H 65 4.250 4.250 4.482 -0.232 18657 720 1 2 . 1 1 65 65 PRO C C 65 175.380 175.380 176.471 -1.091 18657 721 1 2 . 1 1 65 65 PRO CA C 65 62.712 62.712 62.645 0.067 18657 722 1 2 . 1 1 65 65 PRO CB C 65 32.210 32.210 32.361 -0.151 18657 723 1 3 . 1 1 1 1 ASN HA H 1 4.703 4.703 4.781 -0.078 18657 724 1 3 . 1 1 1 1 ASN C C 1 174.258 174.258 174.860 -0.602 18657 725 1 3 . 1 1 1 1 ASN CA C 1 53.192 53.192 53.287 -0.095 18657 726 1 3 . 1 1 1 1 ASN CB C 1 38.954 38.954 39.184 -0.230 18657 727 1 3 . 1 1 2 2 GLN N N 2 120.041 120.041 124.066 -4.025 18657 728 1 3 . 1 1 2 2 GLN HA H 2 4.323 4.323 4.106 0.217 18657 729 1 3 . 1 1 2 2 GLN C C 2 176.004 176.004 174.904 1.100 18657 730 1 3 . 1 1 2 2 GLN CA C 2 55.835 55.835 56.856 -1.021 18657 731 1 3 . 1 1 2 2 GLN CB C 2 29.640 29.640 29.140 0.500 18657 732 1 3 . 1 1 2 2 GLN H H 2 8.597 8.597 8.610 -0.013 18657 733 1 3 . 1 1 3 3 GLU N N 3 124.166 124.166 126.356 -2.190 18657 734 1 3 . 1 1 3 3 GLU HA H 3 4.294 4.294 4.514 -0.220 18657 735 1 3 . 1 1 3 3 GLU C C 3 177.305 177.305 175.356 1.949 18657 736 1 3 . 1 1 3 3 GLU CA C 3 56.597 56.597 55.361 1.236 18657 737 1 3 . 1 1 3 3 GLU CB C 3 32.196 32.196 31.221 0.975 18657 738 1 3 . 1 1 3 3 GLU H H 3 9.025 9.025 8.750 0.275 18657 739 1 3 . 1 1 4 4 SER N N 4 118.222 118.222 120.495 -2.273 18657 740 1 3 . 1 1 4 4 SER HA H 4 5.412 5.412 5.124 0.288 18657 741 1 3 . 1 1 4 4 SER C C 4 171.713 171.713 174.112 -2.399 18657 742 1 3 . 1 1 4 4 SER CA C 4 57.271 57.271 57.897 -0.626 18657 743 1 3 . 1 1 4 4 SER CB C 4 66.319 66.319 65.147 1.173 18657 744 1 3 . 1 1 4 4 SER H H 4 8.925 8.925 8.203 0.722 18657 745 1 3 . 1 1 5 5 VAL N N 5 122.304 122.304 123.949 -1.645 18657 746 1 3 . 1 1 5 5 VAL HA H 5 4.156 4.156 4.338 -0.182 18657 747 1 3 . 1 1 5 5 VAL C C 5 174.325 174.325 175.630 -1.305 18657 748 1 3 . 1 1 5 5 VAL CA C 5 63.408 63.408 63.910 -0.502 18657 749 1 3 . 1 1 5 5 VAL CB C 5 31.916 31.916 32.126 -0.210 18657 750 1 3 . 1 1 5 5 VAL H H 5 8.506 8.506 8.767 -0.261 18657 751 1 3 . 1 1 6 6 VAL N N 6 126.068 126.068 126.594 -0.526 18657 752 1 3 . 1 1 6 6 VAL HA H 6 4.512 4.512 4.302 0.210 18657 753 1 3 . 1 1 6 6 VAL C C 6 174.958 174.958 174.813 0.145 18657 754 1 3 . 1 1 6 6 VAL CA C 6 59.365 59.365 60.050 -0.685 18657 755 1 3 . 1 1 6 6 VAL CB C 6 36.189 36.189 34.962 1.226 18657 756 1 3 . 1 1 6 6 VAL H H 6 8.637 8.637 8.247 0.390 18657 757 1 3 . 1 1 7 7 ALA N N 7 126.887 126.887 129.359 -2.472 18657 758 1 3 . 1 1 7 7 ALA HA H 7 4.441 4.441 4.304 0.137 18657 759 1 3 . 1 1 7 7 ALA C C 7 178.642 178.642 177.856 0.786 18657 760 1 3 . 1 1 7 7 ALA CA C 7 53.079 53.079 52.518 0.561 18657 761 1 3 . 1 1 7 7 ALA CB C 7 19.055 19.055 18.705 0.350 18657 762 1 3 . 1 1 7 7 ALA H H 7 8.318 8.318 8.143 0.175 18657 763 1 3 . 1 1 8 8 ALA N N 8 129.962 129.962 127.723 2.239 18657 764 1 3 . 1 1 8 8 ALA HA H 8 4.162 4.162 4.143 0.019 18657 765 1 3 . 1 1 8 8 ALA C C 8 174.975 174.975 176.952 -1.977 18657 766 1 3 . 1 1 8 8 ALA CA C 8 52.229 52.229 54.027 -1.798 18657 767 1 3 . 1 1 8 8 ALA CB C 8 19.350 19.350 19.279 0.071 18657 768 1 3 . 1 1 8 8 ALA H H 8 9.248 9.248 8.374 0.874 18657 769 1 3 . 1 1 9 9 GLN N N 9 111.285 111.285 112.449 -1.164 18657 770 1 3 . 1 1 9 9 GLN HA H 9 4.510 4.510 4.435 0.075 18657 771 1 3 . 1 1 9 9 GLN C C 9 172.373 172.373 174.348 -1.975 18657 772 1 3 . 1 1 9 9 GLN CA C 9 52.613 52.613 53.360 -0.747 18657 773 1 3 . 1 1 9 9 GLN CB C 9 32.673 32.673 30.718 1.955 18657 774 1 3 . 1 1 9 9 GLN H H 9 7.709 7.709 7.533 0.176 18657 775 1 3 . 1 1 10 10 LEU N N 10 120.553 120.553 122.261 -1.708 18657 776 1 3 . 1 1 10 10 LEU HA H 10 4.541 4.541 4.282 0.260 18657 777 1 3 . 1 1 10 10 LEU C C 10 177.120 177.120 175.580 1.540 18657 778 1 3 . 1 1 10 10 LEU CA C 10 56.329 56.329 56.165 0.164 18657 779 1 3 . 1 1 10 10 LEU CB C 10 41.176 41.176 42.169 -0.993 18657 780 1 3 . 1 1 10 10 LEU H H 10 8.501 8.501 8.427 0.074 18657 781 1 3 . 1 1 11 11 ILE N N 11 132.775 132.775 127.235 5.540 18657 782 1 3 . 1 1 11 11 ILE HA H 11 4.604 4.604 4.641 -0.037 18657 783 1 3 . 1 1 11 11 ILE CA C 11 59.247 59.247 57.523 1.724 18657 784 1 3 . 1 1 11 11 ILE CB C 11 39.630 39.630 39.695 -0.065 18657 785 1 3 . 1 1 11 11 ILE H H 11 9.329 9.329 8.881 0.448 18657 786 1 3 . 1 1 12 12 PRO HA H 12 4.392 4.392 4.532 -0.140 18657 787 1 3 . 1 1 12 12 PRO C C 12 176.644 176.644 176.291 0.353 18657 788 1 3 . 1 1 12 12 PRO CA C 12 61.904 61.904 61.335 0.569 18657 789 1 3 . 1 1 12 12 PRO CB C 12 32.576 32.576 32.395 0.181 18657 790 1 3 . 1 1 13 13 ILE N N 13 121.774 121.774 120.311 1.463 18657 791 1 3 . 1 1 13 13 ILE HA H 13 3.380 3.380 3.624 -0.244 18657 792 1 3 . 1 1 13 13 ILE C C 13 173.621 173.621 176.197 -2.576 18657 793 1 3 . 1 1 13 13 ILE CA C 13 63.705 63.705 62.989 0.716 18657 794 1 3 . 1 1 13 13 ILE CB C 13 38.836 38.836 38.567 0.269 18657 795 1 3 . 1 1 13 13 ILE H H 13 7.938 7.938 8.146 -0.208 18657 796 1 3 . 1 1 14 14 ASN N N 14 117.013 117.013 121.363 -4.350 18657 797 1 3 . 1 1 14 14 ASN HA H 14 4.565 4.565 4.419 0.146 18657 798 1 3 . 1 1 14 14 ASN C C 14 173.943 173.943 173.929 0.014 18657 799 1 3 . 1 1 14 14 ASN CA C 14 55.344 55.344 54.965 0.379 18657 800 1 3 . 1 1 14 14 ASN CB C 14 37.014 37.014 36.260 0.754 18657 801 1 3 . 1 1 14 14 ASN H H 14 7.240 7.240 9.006 -1.766 18657 802 1 3 . 1 1 15 15 THR N N 15 116.580 116.580 115.912 0.668 18657 803 1 3 . 1 1 15 15 THR HA H 15 3.966 3.966 4.422 -0.456 18657 804 1 3 . 1 1 15 15 THR C C 15 172.956 172.956 173.706 -0.750 18657 805 1 3 . 1 1 15 15 THR CA C 15 64.332 64.332 61.535 2.797 18657 806 1 3 . 1 1 15 15 THR CB C 15 69.532 69.532 69.951 -0.419 18657 807 1 3 . 1 1 15 15 THR H H 15 7.313 7.313 7.477 -0.164 18657 808 1 3 . 1 1 16 16 ALA N N 16 128.035 128.035 131.632 -3.597 18657 809 1 3 . 1 1 16 16 ALA HA H 16 4.246 4.246 4.172 0.074 18657 810 1 3 . 1 1 16 16 ALA C C 16 176.643 176.643 176.777 -0.134 18657 811 1 3 . 1 1 16 16 ALA CA C 16 50.750 50.750 52.306 -1.556 18657 812 1 3 . 1 1 16 16 ALA CB C 16 18.653 18.653 18.466 0.187 18657 813 1 3 . 1 1 16 16 ALA H H 16 8.545 8.545 8.689 -0.144 18657 814 1 3 . 1 1 17 17 LEU N N 17 125.094 125.094 125.551 -0.457 18657 815 1 3 . 1 1 17 17 LEU HA H 17 4.505 4.505 4.231 0.274 18657 816 1 3 . 1 1 17 17 LEU C C 17 178.848 178.848 176.996 1.852 18657 817 1 3 . 1 1 17 17 LEU CA C 17 56.127 56.127 55.879 0.248 18657 818 1 3 . 1 1 17 17 LEU CB C 17 42.573 42.573 42.615 -0.042 18657 819 1 3 . 1 1 17 17 LEU H H 17 9.114 9.114 8.181 0.933 18657 820 1 3 . 1 1 18 18 THR N N 18 113.568 113.568 112.208 1.360 18657 821 1 3 . 1 1 18 18 THR HA H 18 4.623 4.623 4.453 0.170 18657 822 1 3 . 1 1 18 18 THR C C 18 175.028 175.028 174.620 0.408 18657 823 1 3 . 1 1 18 18 THR CA C 18 58.935 58.935 59.910 -0.974 18657 824 1 3 . 1 1 18 18 THR CB C 18 71.185 71.185 71.566 -0.381 18657 825 1 3 . 1 1 18 18 THR H H 18 7.980 7.980 7.986 -0.006 18657 826 1 3 . 1 1 19 19 LEU N N 19 121.118 121.118 121.597 -0.479 18657 827 1 3 . 1 1 19 19 LEU HA H 19 3.817 3.817 4.260 -0.443 18657 828 1 3 . 1 1 19 19 LEU C C 19 179.309 179.309 176.580 2.729 18657 829 1 3 . 1 1 19 19 LEU CA C 19 58.710 58.710 56.706 2.004 18657 830 1 3 . 1 1 19 19 LEU CB C 19 42.213 42.213 41.848 0.365 18657 831 1 3 . 1 1 19 19 LEU H H 19 8.882 8.882 8.612 0.270 18657 832 1 3 . 1 1 20 20 VAL N N 20 110.454 110.454 110.453 0.001 18657 833 1 3 . 1 1 20 20 VAL HA H 20 4.021 4.021 4.126 -0.105 18657 834 1 3 . 1 1 20 20 VAL C C 20 176.778 176.778 175.848 0.930 18657 835 1 3 . 1 1 20 20 VAL CA C 20 63.377 63.377 62.982 0.395 18657 836 1 3 . 1 1 20 20 VAL CB C 20 31.558 31.558 31.804 -0.246 18657 837 1 3 . 1 1 20 20 VAL H H 20 7.528 7.528 7.667 -0.139 18657 838 1 3 . 1 1 21 21 MET N N 21 116.848 116.848 117.750 -0.902 18657 839 1 3 . 1 1 21 21 MET HA H 21 3.940 3.940 4.575 -0.635 18657 840 1 3 . 1 1 21 21 MET C C 21 175.514 175.514 175.231 0.283 18657 841 1 3 . 1 1 21 21 MET CA C 21 57.965 57.965 55.659 2.306 18657 842 1 3 . 1 1 21 21 MET CB C 21 32.889 32.889 34.639 -1.750 18657 843 1 3 . 1 1 21 21 MET H H 21 7.518 7.518 8.022 -0.504 18657 844 1 3 . 1 1 22 22 MET N N 22 116.986 116.986 116.977 0.009 18657 845 1 3 . 1 1 22 22 MET HA H 22 4.893 4.893 4.876 0.017 18657 846 1 3 . 1 1 22 22 MET C C 22 173.981 173.981 174.799 -0.818 18657 847 1 3 . 1 1 22 22 MET CA C 22 55.373 55.373 54.724 0.649 18657 848 1 3 . 1 1 22 22 MET CB C 22 37.383 37.383 37.156 0.227 18657 849 1 3 . 1 1 22 22 MET H H 22 7.709 7.709 7.388 0.321 18657 850 1 3 . 1 1 23 23 THR N N 23 118.163 118.163 113.147 5.016 18657 851 1 3 . 1 1 23 23 THR HA H 23 4.788 4.788 4.669 0.119 18657 852 1 3 . 1 1 23 23 THR C C 23 172.307 172.307 172.441 -0.134 18657 853 1 3 . 1 1 23 23 THR CA C 23 58.678 58.678 61.060 -2.382 18657 854 1 3 . 1 1 23 23 THR CB C 23 69.836 69.836 70.207 -0.371 18657 855 1 3 . 1 1 23 23 THR H H 23 9.041 9.041 8.170 0.871 18657 856 1 3 . 1 1 24 24 THR N N 24 111.374 111.374 113.501 -2.127 18657 857 1 3 . 1 1 24 24 THR HA H 24 5.691 5.691 5.148 0.543 18657 858 1 3 . 1 1 24 24 THR C C 24 174.035 174.035 173.566 0.469 18657 859 1 3 . 1 1 24 24 THR CA C 24 58.843 58.843 60.433 -1.590 18657 860 1 3 . 1 1 24 24 THR CB C 24 71.456 71.456 71.582 -0.126 18657 861 1 3 . 1 1 24 24 THR H H 24 8.139 8.139 8.335 -0.196 18657 862 1 3 . 1 1 25 25 ARG N N 25 119.402 119.402 123.344 -3.942 18657 863 1 3 . 1 1 25 25 ARG HA H 25 4.575 4.575 4.451 0.124 18657 864 1 3 . 1 1 25 25 ARG C C 25 174.979 174.979 173.723 1.256 18657 865 1 3 . 1 1 25 25 ARG CA C 25 55.085 55.085 55.651 -0.566 18657 866 1 3 . 1 1 25 25 ARG CB C 25 35.806 35.806 33.800 2.006 18657 867 1 3 . 1 1 25 25 ARG H H 25 8.626 8.626 8.205 0.421 18657 868 1 3 . 1 1 26 26 VAL N N 26 124.668 124.668 124.591 0.077 18657 869 1 3 . 1 1 26 26 VAL HA H 26 4.132 4.132 4.018 0.114 18657 870 1 3 . 1 1 26 26 VAL C C 26 174.893 174.893 176.187 -1.294 18657 871 1 3 . 1 1 26 26 VAL CA C 26 64.085 64.085 63.431 0.654 18657 872 1 3 . 1 1 26 26 VAL CB C 26 30.450 30.450 31.216 -0.766 18657 873 1 3 . 1 1 26 26 VAL H H 26 9.050 9.050 8.440 0.610 18657 874 1 3 . 1 1 27 27 VAL N N 27 123.136 123.136 122.231 0.905 18657 875 1 3 . 1 1 27 27 VAL HA H 27 4.649 4.649 4.593 0.056 18657 876 1 3 . 1 1 27 27 VAL C C 27 174.747 174.747 173.958 0.789 18657 877 1 3 . 1 1 27 27 VAL CA C 27 59.232 59.232 59.382 -0.150 18657 878 1 3 . 1 1 27 27 VAL CB C 27 36.205 36.205 35.153 1.052 18657 879 1 3 . 1 1 27 27 VAL H H 27 8.266 8.266 7.905 0.361 18657 880 1 3 . 1 1 28 28 SER N N 28 116.564 116.564 116.618 -0.054 18657 881 1 3 . 1 1 28 28 SER HA H 28 4.535 4.535 4.934 -0.399 18657 882 1 3 . 1 1 28 28 SER CA C 28 54.880 54.880 55.854 -0.974 18657 883 1 3 . 1 1 28 28 SER CB C 28 64.922 64.922 64.750 0.172 18657 884 1 3 . 1 1 28 28 SER H H 28 8.302 8.302 8.249 0.053 18657 885 1 3 . 1 1 29 29 PRO HA H 29 4.774 4.774 4.728 0.046 18657 886 1 3 . 1 1 29 29 PRO C C 29 176.324 176.324 175.741 0.583 18657 887 1 3 . 1 1 29 29 PRO CA C 29 62.543 62.543 62.451 0.092 18657 888 1 3 . 1 1 29 29 PRO CB C 29 34.561 34.561 32.690 1.871 18657 889 1 3 . 1 1 30 30 THR N N 30 113.418 113.418 111.912 1.506 18657 890 1 3 . 1 1 30 30 THR HA H 30 3.830 3.830 4.349 -0.519 18657 891 1 3 . 1 1 30 30 THR C C 30 174.556 174.556 174.106 0.450 18657 892 1 3 . 1 1 30 30 THR CA C 30 62.846 62.846 61.651 1.195 18657 893 1 3 . 1 1 30 30 THR CB C 30 69.384 69.384 69.772 -0.388 18657 894 1 3 . 1 1 30 30 THR H H 30 8.492 8.492 8.186 0.306 18657 895 1 3 . 1 1 31 31 GLY N N 31 109.224 109.224 109.633 -0.409 18657 896 1 3 . 1 1 31 31 GLY C C 31 174.722 174.722 173.387 1.335 18657 897 1 3 . 1 1 31 31 GLY CA C 31 44.844 44.844 43.381 1.463 18657 898 1 3 . 1 1 31 31 GLY H H 31 8.054 8.054 8.096 -0.042 18657 899 1 3 . 1 1 32 32 ILE N N 32 128.549 128.549 122.538 6.011 18657 900 1 3 . 1 1 32 32 ILE HA H 32 3.959 3.959 3.973 -0.014 18657 901 1 3 . 1 1 32 32 ILE CA C 32 61.251 61.251 62.173 -0.922 18657 902 1 3 . 1 1 32 32 ILE CB C 32 39.665 39.665 37.593 2.072 18657 903 1 3 . 1 1 32 32 ILE H H 32 8.820 8.820 8.021 0.799 18657 904 1 3 . 1 1 33 33 PRO HA H 33 4.777 4.777 4.589 0.188 18657 905 1 3 . 1 1 33 33 PRO C C 33 177.878 177.878 177.289 0.589 18657 906 1 3 . 1 1 33 33 PRO CA C 33 63.110 63.110 62.458 0.652 18657 907 1 3 . 1 1 33 33 PRO CB C 33 32.793 32.793 32.160 0.633 18657 908 1 3 . 1 1 34 34 ALA N N 34 123.151 123.151 126.282 -3.131 18657 909 1 3 . 1 1 34 34 ALA HA H 34 3.722 3.722 4.044 -0.322 18657 910 1 3 . 1 1 34 34 ALA C C 34 179.547 179.547 179.492 0.055 18657 911 1 3 . 1 1 34 34 ALA CA C 34 54.835 54.835 54.879 -0.044 18657 912 1 3 . 1 1 34 34 ALA CB C 34 19.974 19.974 18.566 1.408 18657 913 1 3 . 1 1 34 34 ALA H H 34 7.973 7.973 8.955 -0.982 18657 914 1 3 . 1 1 35 35 GLU N N 35 116.421 116.421 117.335 -0.914 18657 915 1 3 . 1 1 35 35 GLU HA H 35 4.022 4.022 4.128 -0.106 18657 916 1 3 . 1 1 35 35 GLU C C 35 176.479 176.479 176.438 0.041 18657 917 1 3 . 1 1 35 35 GLU CA C 35 58.966 58.966 58.168 0.798 18657 918 1 3 . 1 1 35 35 GLU CB C 35 28.642 28.642 29.126 -0.484 18657 919 1 3 . 1 1 35 35 GLU H H 35 9.247 9.247 8.622 0.625 18657 920 1 3 . 1 1 36 36 ASP N N 36 118.097 118.097 118.837 -0.740 18657 921 1 3 . 1 1 36 36 ASP HA H 36 4.955 4.955 4.878 0.077 18657 922 1 3 . 1 1 36 36 ASP C C 36 176.823 176.823 176.697 0.126 18657 923 1 3 . 1 1 36 36 ASP CA C 36 54.568 54.568 53.788 0.779 18657 924 1 3 . 1 1 36 36 ASP CB C 36 40.971 40.971 40.468 0.503 18657 925 1 3 . 1 1 36 36 ASP H H 36 8.146 8.146 8.292 -0.146 18657 926 1 3 . 1 1 37 37 ILE N N 37 121.429 121.429 122.756 -1.327 18657 927 1 3 . 1 1 37 37 ILE HA H 37 3.636 3.636 3.960 -0.324 18657 928 1 3 . 1 1 37 37 ILE CA C 37 68.859 68.859 67.542 1.317 18657 929 1 3 . 1 1 37 37 ILE CB C 37 35.859 35.859 36.400 -0.541 18657 930 1 3 . 1 1 37 37 ILE H H 37 7.520 7.520 7.915 -0.395 18657 931 1 3 . 1 1 38 38 PRO HA H 38 4.183 4.183 4.403 -0.220 18657 932 1 3 . 1 1 38 38 PRO C C 38 179.052 179.052 176.980 2.072 18657 933 1 3 . 1 1 38 38 PRO CA C 38 65.906 65.906 64.575 1.331 18657 934 1 3 . 1 1 38 38 PRO CB C 38 31.030 31.030 31.033 -0.003 18657 935 1 3 . 1 1 39 39 ARG N N 39 115.064 115.064 116.844 -1.780 18657 936 1 3 . 1 1 39 39 ARG HA H 39 4.237 4.237 4.388 -0.151 18657 937 1 3 . 1 1 39 39 ARG C C 39 176.002 176.002 177.818 -1.816 18657 938 1 3 . 1 1 39 39 ARG CA C 39 57.362 57.362 57.902 -0.540 18657 939 1 3 . 1 1 39 39 ARG CB C 39 30.510 30.510 31.473 -0.963 18657 940 1 3 . 1 1 39 39 ARG H H 39 7.367 7.367 7.993 -0.626 18657 941 1 3 . 1 1 40 40 LEU N N 40 118.158 118.158 118.579 -0.421 18657 942 1 3 . 1 1 40 40 LEU HA H 40 4.080 4.080 4.376 -0.296 18657 943 1 3 . 1 1 40 40 LEU C C 40 177.804 177.804 177.075 0.729 18657 944 1 3 . 1 1 40 40 LEU CA C 40 55.770 55.770 55.450 0.320 18657 945 1 3 . 1 1 40 40 LEU CB C 40 42.782 42.782 41.914 0.868 18657 946 1 3 . 1 1 40 40 LEU H H 40 7.782 7.782 8.320 -0.538 18657 947 1 3 . 1 1 41 41 ILE N N 41 115.608 115.608 118.034 -2.426 18657 948 1 3 . 1 1 41 41 ILE HA H 41 3.345 3.345 3.760 -0.415 18657 949 1 3 . 1 1 41 41 ILE C C 41 178.078 178.078 176.285 1.793 18657 950 1 3 . 1 1 41 41 ILE CA C 41 62.606 62.606 63.266 -0.660 18657 951 1 3 . 1 1 41 41 ILE CB C 41 36.606 36.606 36.498 0.108 18657 952 1 3 . 1 1 41 41 ILE H H 41 6.799 6.799 7.539 -0.740 18657 953 1 3 . 1 1 42 42 SER N N 42 121.395 121.395 118.447 2.948 18657 954 1 3 . 1 1 42 42 SER HA H 42 3.991 3.991 4.139 -0.148 18657 955 1 3 . 1 1 42 42 SER C C 42 173.816 173.816 173.723 0.093 18657 956 1 3 . 1 1 42 42 SER CA C 42 62.348 62.348 60.599 1.749 18657 957 1 3 . 1 1 42 42 SER CB C 42 62.947 62.947 63.426 -0.479 18657 958 1 3 . 1 1 42 42 SER H H 42 9.328 9.328 8.899 0.429 18657 959 1 3 . 1 1 43 43 MET N N 43 123.672 123.672 120.759 2.913 18657 960 1 3 . 1 1 43 43 MET HA H 43 4.449 4.449 4.632 -0.183 18657 961 1 3 . 1 1 43 43 MET C C 43 175.128 175.128 176.039 -0.911 18657 962 1 3 . 1 1 43 43 MET CA C 43 57.119 57.119 55.115 2.004 18657 963 1 3 . 1 1 43 43 MET CB C 43 32.831 32.831 33.352 -0.521 18657 964 1 3 . 1 1 43 43 MET H H 43 8.806 8.806 8.043 0.763 18657 965 1 3 . 1 1 44 44 GLN N N 44 118.463 118.463 123.090 -4.627 18657 966 1 3 . 1 1 44 44 GLN HA H 44 5.256 5.256 4.709 0.547 18657 967 1 3 . 1 1 44 44 GLN C C 44 177.035 177.035 175.828 1.207 18657 968 1 3 . 1 1 44 44 GLN CA C 44 54.304 54.304 55.435 -1.131 18657 969 1 3 . 1 1 44 44 GLN CB C 44 32.083 32.083 29.883 2.200 18657 970 1 3 . 1 1 44 44 GLN H H 44 8.947 8.947 8.744 0.203 18657 971 1 3 . 1 1 45 45 VAL N N 45 111.238 111.238 112.765 -1.527 18657 972 1 3 . 1 1 45 45 VAL HA H 45 5.297 5.297 4.735 0.562 18657 973 1 3 . 1 1 45 45 VAL C C 45 177.962 177.962 175.507 2.455 18657 974 1 3 . 1 1 45 45 VAL CA C 45 59.950 59.950 59.138 0.812 18657 975 1 3 . 1 1 45 45 VAL CB C 45 33.437 33.437 34.452 -1.015 18657 976 1 3 . 1 1 45 45 VAL H H 45 7.564 7.564 7.991 -0.427 18657 977 1 3 . 1 1 46 46 ASN N N 46 118.782 118.782 121.252 -2.470 18657 978 1 3 . 1 1 46 46 ASN HA H 46 4.716 4.716 4.715 0.001 18657 979 1 3 . 1 1 46 46 ASN C C 46 174.812 174.812 174.951 -0.139 18657 980 1 3 . 1 1 46 46 ASN CA C 46 51.680 51.680 52.245 -0.565 18657 981 1 3 . 1 1 46 46 ASN CB C 46 39.469 39.469 38.792 0.677 18657 982 1 3 . 1 1 46 46 ASN H H 46 8.556 8.556 8.347 0.209 18657 983 1 3 . 1 1 47 47 GLN N N 47 112.810 112.810 116.738 -3.928 18657 984 1 3 . 1 1 47 47 GLN HA H 47 4.549 4.549 4.260 0.289 18657 985 1 3 . 1 1 47 47 GLN C C 47 172.365 172.365 173.908 -1.543 18657 986 1 3 . 1 1 47 47 GLN CA C 47 53.013 53.013 54.982 -1.969 18657 987 1 3 . 1 1 47 47 GLN CB C 47 32.841 32.841 32.102 0.739 18657 988 1 3 . 1 1 47 47 GLN H H 47 7.663 7.663 7.631 0.032 18657 989 1 3 . 1 1 48 48 VAL N N 48 118.841 118.841 124.091 -5.250 18657 990 1 3 . 1 1 48 48 VAL HA H 48 4.184 4.184 4.039 0.145 18657 991 1 3 . 1 1 48 48 VAL C C 48 176.865 176.865 175.441 1.424 18657 992 1 3 . 1 1 48 48 VAL CA C 48 62.932 62.932 63.828 -0.896 18657 993 1 3 . 1 1 48 48 VAL CB C 48 31.788 31.788 31.704 0.084 18657 994 1 3 . 1 1 48 48 VAL H H 48 8.407 8.407 8.492 -0.085 18657 995 1 3 . 1 1 49 49 VAL N N 49 130.600 130.600 128.999 1.601 18657 996 1 3 . 1 1 49 49 VAL HA H 49 4.547 4.547 4.563 -0.016 18657 997 1 3 . 1 1 49 49 VAL CA C 49 59.419 59.419 58.338 1.081 18657 998 1 3 . 1 1 49 49 VAL CB C 49 33.236 33.236 33.417 -0.181 18657 999 1 3 . 1 1 49 49 VAL H H 49 9.165 9.165 9.036 0.129 18657 1000 1 3 . 1 1 50 50 PRO HA H 50 4.227 4.227 4.604 -0.377 18657 1001 1 3 . 1 1 50 50 PRO C C 50 176.512 176.512 176.187 0.325 18657 1002 1 3 . 1 1 50 50 PRO CA C 50 62.220 62.220 61.465 0.755 18657 1003 1 3 . 1 1 50 50 PRO CB C 50 32.282 32.282 32.632 -0.350 18657 1004 1 3 . 1 1 51 51 MET N N 51 123.146 123.146 118.584 4.562 18657 1005 1 3 . 1 1 51 51 MET HA H 51 3.322 3.322 4.080 -0.758 18657 1006 1 3 . 1 1 51 51 MET C C 51 176.953 176.953 177.874 -0.921 18657 1007 1 3 . 1 1 51 51 MET CA C 51 58.534 58.534 57.554 0.980 18657 1008 1 3 . 1 1 51 51 MET CB C 51 32.593 32.593 33.240 -0.647 18657 1009 1 3 . 1 1 51 51 MET H H 51 8.598 8.598 8.247 0.351 18657 1010 1 3 . 1 1 52 52 GLY N N 52 114.707 114.707 113.013 1.694 18657 1011 1 3 . 1 1 52 52 GLY C C 52 173.693 173.693 174.169 -0.476 18657 1012 1 3 . 1 1 52 52 GLY CA C 52 45.046 45.046 45.767 -0.721 18657 1013 1 3 . 1 1 52 52 GLY H H 52 8.852 8.852 9.001 -0.149 18657 1014 1 3 . 1 1 53 53 THR N N 53 119.372 119.372 119.974 -0.602 18657 1015 1 3 . 1 1 53 53 THR HA H 53 4.143 4.143 4.378 -0.235 18657 1016 1 3 . 1 1 53 53 THR C C 53 173.482 173.482 174.339 -0.857 18657 1017 1 3 . 1 1 53 53 THR CA C 53 63.363 63.363 61.576 1.787 18657 1018 1 3 . 1 1 53 53 THR CB C 53 69.448 69.448 69.421 0.027 18657 1019 1 3 . 1 1 53 53 THR H H 53 7.706 7.706 7.531 0.175 18657 1020 1 3 . 1 1 54 54 THR N N 54 125.168 125.168 123.579 1.589 18657 1021 1 3 . 1 1 54 54 THR HA H 54 4.137 4.137 4.168 -0.031 18657 1022 1 3 . 1 1 54 54 THR C C 54 173.018 173.018 174.169 -1.151 18657 1023 1 3 . 1 1 54 54 THR CA C 54 63.314 63.314 64.876 -1.562 18657 1024 1 3 . 1 1 54 54 THR CB C 54 68.846 68.846 69.375 -0.529 18657 1025 1 3 . 1 1 54 54 THR H H 54 8.914 8.914 8.690 0.224 18657 1026 1 3 . 1 1 55 55 LEU N N 55 131.166 131.166 126.287 4.879 18657 1027 1 3 . 1 1 55 55 LEU HA H 55 4.298 4.298 4.510 -0.212 18657 1028 1 3 . 1 1 55 55 LEU C C 55 174.234 174.234 175.728 -1.494 18657 1029 1 3 . 1 1 55 55 LEU CA C 55 55.132 55.132 54.374 0.758 18657 1030 1 3 . 1 1 55 55 LEU CB C 55 42.317 42.317 43.830 -1.513 18657 1031 1 3 . 1 1 55 55 LEU H H 55 9.006 9.006 8.911 0.095 18657 1032 1 3 . 1 1 56 56 MET N N 56 126.627 126.627 122.964 3.663 18657 1033 1 3 . 1 1 56 56 MET HA H 56 5.043 5.043 4.868 0.175 18657 1034 1 3 . 1 1 56 56 MET CA C 56 51.058 51.058 52.481 -1.423 18657 1035 1 3 . 1 1 56 56 MET CB C 56 31.593 31.593 33.157 -1.564 18657 1036 1 3 . 1 1 56 56 MET H H 56 8.028 8.028 8.518 -0.490 18657 1037 1 3 . 1 1 57 57 PRO HA H 57 3.695 3.695 3.521 0.174 18657 1038 1 3 . 1 1 57 57 PRO C C 57 176.780 176.780 176.364 0.416 18657 1039 1 3 . 1 1 57 57 PRO CA C 57 66.142 66.142 64.466 1.676 18657 1040 1 3 . 1 1 57 57 PRO CB C 57 32.795 32.795 31.404 1.391 18657 1041 1 3 . 1 1 58 58 ASP N N 58 110.360 110.360 116.122 -5.762 18657 1042 1 3 . 1 1 58 58 ASP HA H 58 4.436 4.436 4.636 -0.200 18657 1043 1 3 . 1 1 58 58 ASP C C 58 176.945 176.945 175.980 0.965 18657 1044 1 3 . 1 1 58 58 ASP CA C 58 54.660 54.660 53.973 0.687 18657 1045 1 3 . 1 1 58 58 ASP CB C 58 39.716 39.716 40.620 -0.903 18657 1046 1 3 . 1 1 58 58 ASP H H 58 8.036 8.036 8.485 -0.449 18657 1047 1 3 . 1 1 59 59 MET N N 59 116.951 116.951 117.138 -0.187 18657 1048 1 3 . 1 1 59 59 MET HA H 59 4.642 4.642 4.816 -0.174 18657 1049 1 3 . 1 1 59 59 MET C C 59 174.817 174.817 174.508 0.309 18657 1050 1 3 . 1 1 59 59 MET CA C 59 56.757 56.757 55.226 1.531 18657 1051 1 3 . 1 1 59 59 MET CB C 59 33.587 33.587 34.841 -1.254 18657 1052 1 3 . 1 1 59 59 MET H H 59 8.066 8.066 7.359 0.707 18657 1053 1 3 . 1 1 60 60 VAL N N 60 117.470 117.470 120.522 -3.052 18657 1054 1 3 . 1 1 60 60 VAL HA H 60 4.351 4.351 4.507 -0.156 18657 1055 1 3 . 1 1 60 60 VAL C C 60 176.067 176.067 175.615 0.452 18657 1056 1 3 . 1 1 60 60 VAL CA C 60 61.229 61.229 59.644 1.585 18657 1057 1 3 . 1 1 60 60 VAL CB C 60 33.146 33.146 33.931 -0.785 18657 1058 1 3 . 1 1 60 60 VAL H H 60 7.109 7.109 7.265 -0.156 18657 1059 1 3 . 1 1 61 61 LYS N N 61 128.839 128.839 128.318 0.521 18657 1060 1 3 . 1 1 61 61 LYS HA H 61 4.122 4.122 4.433 -0.311 18657 1061 1 3 . 1 1 61 61 LYS C C 61 177.652 177.652 176.997 0.655 18657 1062 1 3 . 1 1 61 61 LYS CA C 61 58.146 58.146 56.054 2.092 18657 1063 1 3 . 1 1 61 61 LYS CB C 61 32.336 32.336 32.584 -0.248 18657 1064 1 3 . 1 1 61 61 LYS H H 61 9.069 9.069 8.192 0.877 18657 1065 1 3 . 1 1 62 62 GLY N N 62 113.363 113.363 109.211 4.152 18657 1066 1 3 . 1 1 62 62 GLY C C 62 174.621 174.621 174.500 0.121 18657 1067 1 3 . 1 1 62 62 GLY CA C 62 45.506 45.506 46.266 -0.760 18657 1068 1 3 . 1 1 62 62 GLY H H 62 9.094 9.094 8.670 0.424 18657 1069 1 3 . 1 1 63 63 TYR N N 63 120.959 120.959 119.563 1.396 18657 1070 1 3 . 1 1 63 63 TYR HA H 63 3.971 3.971 4.474 -0.503 18657 1071 1 3 . 1 1 63 63 TYR C C 63 174.228 174.228 174.763 -0.535 18657 1072 1 3 . 1 1 63 63 TYR CA C 63 60.374 60.374 58.271 2.103 18657 1073 1 3 . 1 1 63 63 TYR CB C 63 39.040 39.040 39.894 -0.854 18657 1074 1 3 . 1 1 63 63 TYR H H 63 7.564 7.564 7.393 0.171 18657 1075 1 3 . 1 1 64 64 ALA N N 64 129.533 129.533 122.812 6.721 18657 1076 1 3 . 1 1 64 64 ALA HA H 64 4.425 4.425 4.518 -0.093 18657 1077 1 3 . 1 1 64 64 ALA CA C 64 49.480 49.480 50.838 -1.358 18657 1078 1 3 . 1 1 64 64 ALA CB C 64 19.620 19.620 19.090 0.530 18657 1079 1 3 . 1 1 64 64 ALA H H 64 7.546 7.546 6.677 0.869 18657 1080 1 3 . 1 1 65 65 PRO HA H 65 4.250 4.250 4.482 -0.232 18657 1081 1 3 . 1 1 65 65 PRO C C 65 175.380 175.380 176.645 -1.265 18657 1082 1 3 . 1 1 65 65 PRO CA C 65 62.712 62.712 62.376 0.337 18657 1083 1 3 . 1 1 65 65 PRO CB C 65 32.210 32.210 32.457 -0.247 18657 1084 1 4 . 1 1 1 1 ASN HA H 1 4.703 4.703 4.785 -0.082 18657 1085 1 4 . 1 1 1 1 ASN C C 1 174.258 174.258 173.241 1.017 18657 1086 1 4 . 1 1 1 1 ASN CA C 1 53.192 53.192 52.686 0.506 18657 1087 1 4 . 1 1 1 1 ASN CB C 1 38.954 38.954 40.421 -1.467 18657 1088 1 4 . 1 1 2 2 GLN N N 2 120.041 120.041 122.387 -2.346 18657 1089 1 4 . 1 1 2 2 GLN HA H 2 4.323 4.323 4.265 0.058 18657 1090 1 4 . 1 1 2 2 GLN C C 2 176.004 176.004 175.423 0.581 18657 1091 1 4 . 1 1 2 2 GLN CA C 2 55.835 55.835 55.686 0.149 18657 1092 1 4 . 1 1 2 2 GLN CB C 2 29.640 29.640 29.006 0.634 18657 1093 1 4 . 1 1 2 2 GLN H H 2 8.597 8.597 8.580 0.017 18657 1094 1 4 . 1 1 3 3 GLU N N 3 124.166 124.166 126.838 -2.672 18657 1095 1 4 . 1 1 3 3 GLU HA H 3 4.294 4.294 4.520 -0.226 18657 1096 1 4 . 1 1 3 3 GLU C C 3 177.305 177.305 175.349 1.956 18657 1097 1 4 . 1 1 3 3 GLU CA C 3 56.597 56.597 55.656 0.941 18657 1098 1 4 . 1 1 3 3 GLU CB C 3 32.196 32.196 31.122 1.074 18657 1099 1 4 . 1 1 3 3 GLU H H 3 9.025 9.025 8.762 0.263 18657 1100 1 4 . 1 1 4 4 SER N N 4 118.222 118.222 120.344 -2.122 18657 1101 1 4 . 1 1 4 4 SER HA H 4 5.412 5.412 5.143 0.269 18657 1102 1 4 . 1 1 4 4 SER C C 4 171.713 171.713 174.085 -2.372 18657 1103 1 4 . 1 1 4 4 SER CA C 4 57.271 57.271 57.757 -0.486 18657 1104 1 4 . 1 1 4 4 SER CB C 4 66.319 66.319 65.313 1.006 18657 1105 1 4 . 1 1 4 4 SER H H 4 8.925 8.925 8.122 0.803 18657 1106 1 4 . 1 1 5 5 VAL N N 5 122.304 122.304 123.729 -1.425 18657 1107 1 4 . 1 1 5 5 VAL HA H 5 4.156 4.156 4.283 -0.127 18657 1108 1 4 . 1 1 5 5 VAL C C 5 174.325 174.325 175.600 -1.275 18657 1109 1 4 . 1 1 5 5 VAL CA C 5 63.408 63.408 63.580 -0.172 18657 1110 1 4 . 1 1 5 5 VAL CB C 5 31.916 31.916 32.119 -0.203 18657 1111 1 4 . 1 1 5 5 VAL H H 5 8.506 8.506 8.734 -0.228 18657 1112 1 4 . 1 1 6 6 VAL N N 6 126.068 126.068 126.471 -0.403 18657 1113 1 4 . 1 1 6 6 VAL HA H 6 4.512 4.512 4.294 0.218 18657 1114 1 4 . 1 1 6 6 VAL C C 6 174.958 174.958 174.943 0.015 18657 1115 1 4 . 1 1 6 6 VAL CA C 6 59.365 59.365 60.154 -0.789 18657 1116 1 4 . 1 1 6 6 VAL CB C 6 36.189 36.189 35.060 1.129 18657 1117 1 4 . 1 1 6 6 VAL H H 6 8.637 8.637 7.655 0.982 18657 1118 1 4 . 1 1 7 7 ALA N N 7 126.887 126.887 129.314 -2.427 18657 1119 1 4 . 1 1 7 7 ALA HA H 7 4.441 4.441 4.348 0.093 18657 1120 1 4 . 1 1 7 7 ALA C C 7 178.642 178.642 177.813 0.829 18657 1121 1 4 . 1 1 7 7 ALA CA C 7 53.079 53.079 52.403 0.676 18657 1122 1 4 . 1 1 7 7 ALA CB C 7 19.055 19.055 18.764 0.291 18657 1123 1 4 . 1 1 7 7 ALA H H 7 8.318 8.318 8.123 0.195 18657 1124 1 4 . 1 1 8 8 ALA N N 8 129.962 129.962 127.899 2.063 18657 1125 1 4 . 1 1 8 8 ALA HA H 8 4.162 4.162 4.135 0.027 18657 1126 1 4 . 1 1 8 8 ALA C C 8 174.975 174.975 177.161 -2.186 18657 1127 1 4 . 1 1 8 8 ALA CA C 8 52.229 52.229 54.051 -1.823 18657 1128 1 4 . 1 1 8 8 ALA CB C 8 19.350 19.350 19.278 0.072 18657 1129 1 4 . 1 1 8 8 ALA H H 8 9.248 9.248 8.381 0.867 18657 1130 1 4 . 1 1 9 9 GLN N N 9 111.285 111.285 113.473 -2.188 18657 1131 1 4 . 1 1 9 9 GLN HA H 9 4.510 4.510 4.475 0.035 18657 1132 1 4 . 1 1 9 9 GLN C C 9 172.373 172.373 174.357 -1.984 18657 1133 1 4 . 1 1 9 9 GLN CA C 9 52.613 52.613 53.104 -0.491 18657 1134 1 4 . 1 1 9 9 GLN CB C 9 32.673 32.673 31.283 1.390 18657 1135 1 4 . 1 1 9 9 GLN H H 9 7.709 7.709 7.703 0.006 18657 1136 1 4 . 1 1 10 10 LEU N N 10 120.553 120.553 123.015 -2.462 18657 1137 1 4 . 1 1 10 10 LEU HA H 10 4.541 4.541 4.380 0.161 18657 1138 1 4 . 1 1 10 10 LEU C C 10 177.120 177.120 175.688 1.432 18657 1139 1 4 . 1 1 10 10 LEU CA C 10 56.329 56.329 55.803 0.526 18657 1140 1 4 . 1 1 10 10 LEU CB C 10 41.176 41.176 41.923 -0.747 18657 1141 1 4 . 1 1 10 10 LEU H H 10 8.501 8.501 8.426 0.075 18657 1142 1 4 . 1 1 11 11 ILE N N 11 132.775 132.775 128.132 4.643 18657 1143 1 4 . 1 1 11 11 ILE HA H 11 4.604 4.604 4.616 -0.012 18657 1144 1 4 . 1 1 11 11 ILE CA C 11 59.247 59.247 57.751 1.496 18657 1145 1 4 . 1 1 11 11 ILE CB C 11 39.630 39.630 38.800 0.830 18657 1146 1 4 . 1 1 11 11 ILE H H 11 9.329 9.329 9.014 0.315 18657 1147 1 4 . 1 1 12 12 PRO HA H 12 4.392 4.392 4.506 -0.114 18657 1148 1 4 . 1 1 12 12 PRO C C 12 176.644 176.644 176.286 0.358 18657 1149 1 4 . 1 1 12 12 PRO CA C 12 61.904 61.904 61.334 0.570 18657 1150 1 4 . 1 1 12 12 PRO CB C 12 32.576 32.576 32.382 0.194 18657 1151 1 4 . 1 1 13 13 ILE N N 13 121.774 121.774 120.068 1.706 18657 1152 1 4 . 1 1 13 13 ILE HA H 13 3.380 3.380 3.678 -0.298 18657 1153 1 4 . 1 1 13 13 ILE C C 13 173.621 173.621 175.783 -2.162 18657 1154 1 4 . 1 1 13 13 ILE CA C 13 63.705 63.705 62.428 1.277 18657 1155 1 4 . 1 1 13 13 ILE CB C 13 38.836 38.836 38.557 0.279 18657 1156 1 4 . 1 1 13 13 ILE H H 13 7.938 7.938 8.045 -0.107 18657 1157 1 4 . 1 1 14 14 ASN N N 14 117.013 117.013 121.624 -4.611 18657 1158 1 4 . 1 1 14 14 ASN HA H 14 4.565 4.565 4.468 0.097 18657 1159 1 4 . 1 1 14 14 ASN C C 14 173.943 173.943 174.016 -0.073 18657 1160 1 4 . 1 1 14 14 ASN CA C 14 55.344 55.344 54.276 1.068 18657 1161 1 4 . 1 1 14 14 ASN CB C 14 37.014 37.014 36.990 0.024 18657 1162 1 4 . 1 1 14 14 ASN H H 14 7.240 7.240 8.824 -1.584 18657 1163 1 4 . 1 1 15 15 THR N N 15 116.580 116.580 115.479 1.101 18657 1164 1 4 . 1 1 15 15 THR HA H 15 3.966 3.966 4.467 -0.501 18657 1165 1 4 . 1 1 15 15 THR C C 15 172.956 172.956 173.980 -1.024 18657 1166 1 4 . 1 1 15 15 THR CA C 15 64.332 64.332 61.215 3.117 18657 1167 1 4 . 1 1 15 15 THR CB C 15 69.532 69.532 70.326 -0.794 18657 1168 1 4 . 1 1 15 15 THR H H 15 7.313 7.313 7.546 -0.233 18657 1169 1 4 . 1 1 16 16 ALA N N 16 128.035 128.035 131.690 -3.655 18657 1170 1 4 . 1 1 16 16 ALA HA H 16 4.246 4.246 4.153 0.093 18657 1171 1 4 . 1 1 16 16 ALA C C 16 176.643 176.643 176.807 -0.164 18657 1172 1 4 . 1 1 16 16 ALA CA C 16 50.750 50.750 52.411 -1.661 18657 1173 1 4 . 1 1 16 16 ALA CB C 16 18.653 18.653 18.337 0.316 18657 1174 1 4 . 1 1 16 16 ALA H H 16 8.545 8.545 8.693 -0.148 18657 1175 1 4 . 1 1 17 17 LEU N N 17 125.094 125.094 125.440 -0.346 18657 1176 1 4 . 1 1 17 17 LEU HA H 17 4.505 4.505 4.201 0.304 18657 1177 1 4 . 1 1 17 17 LEU C C 17 178.848 178.848 176.916 1.932 18657 1178 1 4 . 1 1 17 17 LEU CA C 17 56.127 56.127 56.066 0.061 18657 1179 1 4 . 1 1 17 17 LEU CB C 17 42.573 42.573 42.499 0.074 18657 1180 1 4 . 1 1 17 17 LEU H H 17 9.114 9.114 8.399 0.715 18657 1181 1 4 . 1 1 18 18 THR N N 18 113.568 113.568 113.091 0.477 18657 1182 1 4 . 1 1 18 18 THR HA H 18 4.623 4.623 4.423 0.200 18657 1183 1 4 . 1 1 18 18 THR C C 18 175.028 175.028 174.849 0.179 18657 1184 1 4 . 1 1 18 18 THR CA C 18 58.935 58.935 60.177 -1.242 18657 1185 1 4 . 1 1 18 18 THR CB C 18 71.185 71.185 71.595 -0.410 18657 1186 1 4 . 1 1 18 18 THR H H 18 7.980 7.980 8.015 -0.035 18657 1187 1 4 . 1 1 19 19 LEU N N 19 121.118 121.118 122.208 -1.090 18657 1188 1 4 . 1 1 19 19 LEU HA H 19 3.817 3.817 4.248 -0.431 18657 1189 1 4 . 1 1 19 19 LEU C C 19 179.309 179.309 177.213 2.096 18657 1190 1 4 . 1 1 19 19 LEU CA C 19 58.710 58.710 57.149 1.561 18657 1191 1 4 . 1 1 19 19 LEU CB C 19 42.213 42.213 41.369 0.844 18657 1192 1 4 . 1 1 19 19 LEU H H 19 8.882 8.882 8.635 0.247 18657 1193 1 4 . 1 1 20 20 VAL N N 20 110.454 110.454 112.046 -1.592 18657 1194 1 4 . 1 1 20 20 VAL HA H 20 4.021 4.021 4.150 -0.129 18657 1195 1 4 . 1 1 20 20 VAL C C 20 176.778 176.778 175.624 1.154 18657 1196 1 4 . 1 1 20 20 VAL CA C 20 63.377 63.377 63.709 -0.332 18657 1197 1 4 . 1 1 20 20 VAL CB C 20 31.558 31.558 31.839 -0.281 18657 1198 1 4 . 1 1 20 20 VAL H H 20 7.528 7.528 7.826 -0.298 18657 1199 1 4 . 1 1 21 21 MET N N 21 116.848 116.848 117.500 -0.652 18657 1200 1 4 . 1 1 21 21 MET HA H 21 3.940 3.940 4.591 -0.651 18657 1201 1 4 . 1 1 21 21 MET C C 21 175.514 175.514 175.230 0.284 18657 1202 1 4 . 1 1 21 21 MET CA C 21 57.965 57.965 55.736 2.229 18657 1203 1 4 . 1 1 21 21 MET CB C 21 32.889 32.889 34.791 -1.902 18657 1204 1 4 . 1 1 21 21 MET H H 21 7.518 7.518 8.014 -0.496 18657 1205 1 4 . 1 1 22 22 MET N N 22 116.986 116.986 116.876 0.110 18657 1206 1 4 . 1 1 22 22 MET HA H 22 4.893 4.893 4.872 0.021 18657 1207 1 4 . 1 1 22 22 MET C C 22 173.981 173.981 174.828 -0.847 18657 1208 1 4 . 1 1 22 22 MET CA C 22 55.373 55.373 54.877 0.496 18657 1209 1 4 . 1 1 22 22 MET CB C 22 37.383 37.383 36.958 0.425 18657 1210 1 4 . 1 1 22 22 MET H H 22 7.709 7.709 7.437 0.272 18657 1211 1 4 . 1 1 23 23 THR N N 23 118.163 118.163 113.105 5.058 18657 1212 1 4 . 1 1 23 23 THR HA H 23 4.788 4.788 4.619 0.169 18657 1213 1 4 . 1 1 23 23 THR C C 23 172.307 172.307 172.456 -0.149 18657 1214 1 4 . 1 1 23 23 THR CA C 23 58.678 58.678 60.574 -1.895 18657 1215 1 4 . 1 1 23 23 THR CB C 23 69.836 69.836 69.786 0.050 18657 1216 1 4 . 1 1 23 23 THR H H 23 9.041 9.041 8.049 0.992 18657 1217 1 4 . 1 1 24 24 THR N N 24 111.374 111.374 112.540 -1.166 18657 1218 1 4 . 1 1 24 24 THR HA H 24 5.691 5.691 5.202 0.489 18657 1219 1 4 . 1 1 24 24 THR C C 24 174.035 174.035 173.186 0.849 18657 1220 1 4 . 1 1 24 24 THR CA C 24 58.843 58.843 59.793 -0.950 18657 1221 1 4 . 1 1 24 24 THR CB C 24 71.456 71.456 71.477 -0.021 18657 1222 1 4 . 1 1 24 24 THR H H 24 8.139 8.139 8.266 -0.127 18657 1223 1 4 . 1 1 25 25 ARG N N 25 119.402 119.402 122.713 -3.311 18657 1224 1 4 . 1 1 25 25 ARG HA H 25 4.575 4.575 4.472 0.103 18657 1225 1 4 . 1 1 25 25 ARG C C 25 174.979 174.979 173.713 1.266 18657 1226 1 4 . 1 1 25 25 ARG CA C 25 55.085 55.085 55.540 -0.455 18657 1227 1 4 . 1 1 25 25 ARG CB C 25 35.806 35.806 34.148 1.658 18657 1228 1 4 . 1 1 25 25 ARG H H 25 8.626 8.626 8.205 0.421 18657 1229 1 4 . 1 1 26 26 VAL N N 26 124.668 124.668 124.019 0.649 18657 1230 1 4 . 1 1 26 26 VAL HA H 26 4.132 4.132 4.058 0.074 18657 1231 1 4 . 1 1 26 26 VAL C C 26 174.893 174.893 176.093 -1.200 18657 1232 1 4 . 1 1 26 26 VAL CA C 26 64.085 64.085 63.189 0.896 18657 1233 1 4 . 1 1 26 26 VAL CB C 26 30.450 30.450 31.199 -0.749 18657 1234 1 4 . 1 1 26 26 VAL H H 26 9.050 9.050 8.387 0.663 18657 1235 1 4 . 1 1 27 27 VAL N N 27 123.136 123.136 123.575 -0.439 18657 1236 1 4 . 1 1 27 27 VAL HA H 27 4.649 4.649 4.574 0.075 18657 1237 1 4 . 1 1 27 27 VAL C C 27 174.747 174.747 174.033 0.714 18657 1238 1 4 . 1 1 27 27 VAL CA C 27 59.232 59.232 59.229 0.003 18657 1239 1 4 . 1 1 27 27 VAL CB C 27 36.205 36.205 35.402 0.803 18657 1240 1 4 . 1 1 27 27 VAL H H 27 8.266 8.266 7.895 0.371 18657 1241 1 4 . 1 1 28 28 SER N N 28 116.564 116.564 116.439 0.125 18657 1242 1 4 . 1 1 28 28 SER HA H 28 4.535 4.535 4.955 -0.420 18657 1243 1 4 . 1 1 28 28 SER CA C 28 54.880 54.880 55.315 -0.435 18657 1244 1 4 . 1 1 28 28 SER CB C 28 64.922 64.922 64.680 0.242 18657 1245 1 4 . 1 1 28 28 SER H H 28 8.302 8.302 8.347 -0.045 18657 1246 1 4 . 1 1 29 29 PRO HA H 29 4.774 4.774 4.674 0.100 18657 1247 1 4 . 1 1 29 29 PRO C C 29 176.324 176.324 176.034 0.290 18657 1248 1 4 . 1 1 29 29 PRO CA C 29 62.543 62.543 62.552 -0.009 18657 1249 1 4 . 1 1 29 29 PRO CB C 29 34.561 34.561 32.441 2.120 18657 1250 1 4 . 1 1 30 30 THR N N 30 113.418 113.418 112.359 1.059 18657 1251 1 4 . 1 1 30 30 THR HA H 30 3.830 3.830 4.308 -0.478 18657 1252 1 4 . 1 1 30 30 THR C C 30 174.556 174.556 174.274 0.282 18657 1253 1 4 . 1 1 30 30 THR CA C 30 62.846 62.846 62.063 0.783 18657 1254 1 4 . 1 1 30 30 THR CB C 30 69.384 69.384 69.524 -0.140 18657 1255 1 4 . 1 1 30 30 THR H H 30 8.492 8.492 8.204 0.288 18657 1256 1 4 . 1 1 31 31 GLY N N 31 109.224 109.224 109.065 0.159 18657 1257 1 4 . 1 1 31 31 GLY C C 31 174.722 174.722 173.350 1.372 18657 1258 1 4 . 1 1 31 31 GLY CA C 31 44.844 44.844 43.435 1.409 18657 1259 1 4 . 1 1 31 31 GLY H H 31 8.054 8.054 8.031 0.023 18657 1260 1 4 . 1 1 32 32 ILE N N 32 128.549 128.549 122.561 5.988 18657 1261 1 4 . 1 1 32 32 ILE HA H 32 3.959 3.959 3.981 -0.022 18657 1262 1 4 . 1 1 32 32 ILE CA C 32 61.251 61.251 62.184 -0.933 18657 1263 1 4 . 1 1 32 32 ILE CB C 32 39.665 39.665 37.593 2.072 18657 1264 1 4 . 1 1 32 32 ILE H H 32 8.820 8.820 8.042 0.778 18657 1265 1 4 . 1 1 33 33 PRO HA H 33 4.777 4.777 4.588 0.189 18657 1266 1 4 . 1 1 33 33 PRO C C 33 177.878 177.878 177.306 0.572 18657 1267 1 4 . 1 1 33 33 PRO CA C 33 63.110 63.110 62.430 0.680 18657 1268 1 4 . 1 1 33 33 PRO CB C 33 32.793 32.793 32.169 0.624 18657 1269 1 4 . 1 1 34 34 ALA N N 34 123.151 123.151 125.624 -2.473 18657 1270 1 4 . 1 1 34 34 ALA HA H 34 3.722 3.722 4.085 -0.363 18657 1271 1 4 . 1 1 34 34 ALA C C 34 179.547 179.547 179.651 -0.104 18657 1272 1 4 . 1 1 34 34 ALA CA C 34 54.835 54.835 54.669 0.166 18657 1273 1 4 . 1 1 34 34 ALA CB C 34 19.974 19.974 18.741 1.233 18657 1274 1 4 . 1 1 34 34 ALA H H 34 7.973 7.973 8.765 -0.792 18657 1275 1 4 . 1 1 35 35 GLU N N 35 116.421 116.421 116.309 0.112 18657 1276 1 4 . 1 1 35 35 GLU HA H 35 4.022 4.022 4.110 -0.088 18657 1277 1 4 . 1 1 35 35 GLU C C 35 176.479 176.479 176.824 -0.345 18657 1278 1 4 . 1 1 35 35 GLU CA C 35 58.966 58.966 57.874 1.092 18657 1279 1 4 . 1 1 35 35 GLU CB C 35 28.642 28.642 29.119 -0.477 18657 1280 1 4 . 1 1 35 35 GLU H H 35 9.247 9.247 8.727 0.520 18657 1281 1 4 . 1 1 36 36 ASP N N 36 118.097 118.097 118.035 0.062 18657 1282 1 4 . 1 1 36 36 ASP HA H 36 4.955 4.955 4.910 0.045 18657 1283 1 4 . 1 1 36 36 ASP C C 36 176.823 176.823 176.401 0.422 18657 1284 1 4 . 1 1 36 36 ASP CA C 36 54.568 54.568 53.830 0.739 18657 1285 1 4 . 1 1 36 36 ASP CB C 36 40.971 40.971 41.335 -0.364 18657 1286 1 4 . 1 1 36 36 ASP H H 36 8.146 8.146 8.123 0.023 18657 1287 1 4 . 1 1 37 37 ILE N N 37 121.429 121.429 122.753 -1.324 18657 1288 1 4 . 1 1 37 37 ILE HA H 37 3.636 3.636 3.950 -0.314 18657 1289 1 4 . 1 1 37 37 ILE CA C 37 68.859 68.859 67.607 1.252 18657 1290 1 4 . 1 1 37 37 ILE CB C 37 35.859 35.859 36.343 -0.483 18657 1291 1 4 . 1 1 37 37 ILE H H 37 7.520 7.520 7.923 -0.403 18657 1292 1 4 . 1 1 38 38 PRO HA H 38 4.183 4.183 4.403 -0.220 18657 1293 1 4 . 1 1 38 38 PRO C C 38 179.052 179.052 176.978 2.074 18657 1294 1 4 . 1 1 38 38 PRO CA C 38 65.906 65.906 64.578 1.328 18657 1295 1 4 . 1 1 38 38 PRO CB C 38 31.030 31.030 31.031 -0.001 18657 1296 1 4 . 1 1 39 39 ARG N N 39 115.064 115.064 116.822 -1.758 18657 1297 1 4 . 1 1 39 39 ARG HA H 39 4.237 4.237 4.389 -0.152 18657 1298 1 4 . 1 1 39 39 ARG C C 39 176.002 176.002 177.790 -1.788 18657 1299 1 4 . 1 1 39 39 ARG CA C 39 57.362 57.362 57.917 -0.555 18657 1300 1 4 . 1 1 39 39 ARG CB C 39 30.510 30.510 31.478 -0.968 18657 1301 1 4 . 1 1 39 39 ARG H H 39 7.367 7.367 7.989 -0.622 18657 1302 1 4 . 1 1 40 40 LEU N N 40 118.158 118.158 118.508 -0.350 18657 1303 1 4 . 1 1 40 40 LEU HA H 40 4.080 4.080 4.383 -0.303 18657 1304 1 4 . 1 1 40 40 LEU C C 40 177.804 177.804 177.067 0.737 18657 1305 1 4 . 1 1 40 40 LEU CA C 40 55.770 55.770 55.404 0.366 18657 1306 1 4 . 1 1 40 40 LEU CB C 40 42.782 42.782 41.947 0.835 18657 1307 1 4 . 1 1 40 40 LEU H H 40 7.782 7.782 8.307 -0.525 18657 1308 1 4 . 1 1 41 41 ILE N N 41 115.608 115.608 118.130 -2.522 18657 1309 1 4 . 1 1 41 41 ILE HA H 41 3.345 3.345 3.764 -0.419 18657 1310 1 4 . 1 1 41 41 ILE C C 41 178.078 178.078 176.299 1.779 18657 1311 1 4 . 1 1 41 41 ILE CA C 41 62.606 62.606 63.246 -0.640 18657 1312 1 4 . 1 1 41 41 ILE CB C 41 36.606 36.606 36.500 0.106 18657 1313 1 4 . 1 1 41 41 ILE H H 41 6.799 6.799 7.544 -0.745 18657 1314 1 4 . 1 1 42 42 SER N N 42 121.395 121.395 118.393 3.002 18657 1315 1 4 . 1 1 42 42 SER HA H 42 3.991 3.991 4.147 -0.156 18657 1316 1 4 . 1 1 42 42 SER C C 42 173.816 173.816 173.705 0.111 18657 1317 1 4 . 1 1 42 42 SER CA C 42 62.348 62.348 60.661 1.687 18657 1318 1 4 . 1 1 42 42 SER CB C 42 62.947 62.947 63.424 -0.477 18657 1319 1 4 . 1 1 42 42 SER H H 42 9.328 9.328 8.894 0.434 18657 1320 1 4 . 1 1 43 43 MET N N 43 123.672 123.672 120.781 2.891 18657 1321 1 4 . 1 1 43 43 MET HA H 43 4.449 4.449 4.629 -0.180 18657 1322 1 4 . 1 1 43 43 MET C C 43 175.128 175.128 176.057 -0.929 18657 1323 1 4 . 1 1 43 43 MET CA C 43 57.119 57.119 55.087 2.032 18657 1324 1 4 . 1 1 43 43 MET CB C 43 32.831 32.831 33.313 -0.482 18657 1325 1 4 . 1 1 43 43 MET H H 43 8.806 8.806 8.041 0.765 18657 1326 1 4 . 1 1 44 44 GLN N N 44 118.463 118.463 123.047 -4.584 18657 1327 1 4 . 1 1 44 44 GLN HA H 44 5.256 5.256 4.736 0.520 18657 1328 1 4 . 1 1 44 44 GLN C C 44 177.035 177.035 175.819 1.216 18657 1329 1 4 . 1 1 44 44 GLN CA C 44 54.304 54.304 55.851 -1.547 18657 1330 1 4 . 1 1 44 44 GLN CB C 44 32.083 32.083 29.805 2.278 18657 1331 1 4 . 1 1 44 44 GLN H H 44 8.947 8.947 8.800 0.147 18657 1332 1 4 . 1 1 45 45 VAL N N 45 111.238 111.238 113.932 -2.694 18657 1333 1 4 . 1 1 45 45 VAL HA H 45 5.297 5.297 4.638 0.659 18657 1334 1 4 . 1 1 45 45 VAL C C 45 177.962 177.962 175.373 2.589 18657 1335 1 4 . 1 1 45 45 VAL CA C 45 59.950 59.950 59.146 0.804 18657 1336 1 4 . 1 1 45 45 VAL CB C 45 33.437 33.437 33.686 -0.249 18657 1337 1 4 . 1 1 45 45 VAL H H 45 7.564 7.564 8.578 -1.014 18657 1338 1 4 . 1 1 46 46 ASN N N 46 118.782 118.782 120.480 -1.698 18657 1339 1 4 . 1 1 46 46 ASN HA H 46 4.716 4.716 4.760 -0.044 18657 1340 1 4 . 1 1 46 46 ASN C C 46 174.812 174.812 174.372 0.440 18657 1341 1 4 . 1 1 46 46 ASN CA C 46 51.680 51.680 52.442 -0.762 18657 1342 1 4 . 1 1 46 46 ASN CB C 46 39.469 39.469 38.905 0.564 18657 1343 1 4 . 1 1 46 46 ASN H H 46 8.556 8.556 8.598 -0.042 18657 1344 1 4 . 1 1 47 47 GLN N N 47 112.810 112.810 117.059 -4.249 18657 1345 1 4 . 1 1 47 47 GLN HA H 47 4.549 4.549 4.273 0.276 18657 1346 1 4 . 1 1 47 47 GLN C C 47 172.365 172.365 173.875 -1.510 18657 1347 1 4 . 1 1 47 47 GLN CA C 47 53.013 53.013 55.010 -1.997 18657 1348 1 4 . 1 1 47 47 GLN CB C 47 32.841 32.841 32.237 0.604 18657 1349 1 4 . 1 1 47 47 GLN H H 47 7.663 7.663 7.678 -0.015 18657 1350 1 4 . 1 1 48 48 VAL N N 48 118.841 118.841 124.262 -5.421 18657 1351 1 4 . 1 1 48 48 VAL HA H 48 4.184 4.184 4.058 0.126 18657 1352 1 4 . 1 1 48 48 VAL C C 48 176.865 176.865 175.671 1.194 18657 1353 1 4 . 1 1 48 48 VAL CA C 48 62.932 62.932 63.763 -0.831 18657 1354 1 4 . 1 1 48 48 VAL CB C 48 31.788 31.788 31.623 0.165 18657 1355 1 4 . 1 1 48 48 VAL H H 48 8.407 8.407 8.491 -0.084 18657 1356 1 4 . 1 1 49 49 VAL N N 49 130.600 130.600 128.857 1.743 18657 1357 1 4 . 1 1 49 49 VAL HA H 49 4.547 4.547 4.553 -0.006 18657 1358 1 4 . 1 1 49 49 VAL CA C 49 59.419 59.419 59.036 0.383 18657 1359 1 4 . 1 1 49 49 VAL CB C 49 33.236 33.236 33.434 -0.198 18657 1360 1 4 . 1 1 49 49 VAL H H 49 9.165 9.165 9.141 0.024 18657 1361 1 4 . 1 1 50 50 PRO HA H 50 4.227 4.227 4.501 -0.274 18657 1362 1 4 . 1 1 50 50 PRO C C 50 176.512 176.512 176.105 0.407 18657 1363 1 4 . 1 1 50 50 PRO CA C 50 62.220 62.220 61.650 0.570 18657 1364 1 4 . 1 1 50 50 PRO CB C 50 32.282 32.282 32.555 -0.273 18657 1365 1 4 . 1 1 51 51 MET N N 51 123.146 123.146 119.923 3.223 18657 1366 1 4 . 1 1 51 51 MET HA H 51 3.322 3.322 4.044 -0.722 18657 1367 1 4 . 1 1 51 51 MET C C 51 176.953 176.953 177.944 -0.991 18657 1368 1 4 . 1 1 51 51 MET CA C 51 58.534 58.534 57.724 0.810 18657 1369 1 4 . 1 1 51 51 MET CB C 51 32.593 32.593 33.021 -0.428 18657 1370 1 4 . 1 1 51 51 MET H H 51 8.598 8.598 8.245 0.353 18657 1371 1 4 . 1 1 52 52 GLY N N 52 114.707 114.707 113.226 1.481 18657 1372 1 4 . 1 1 52 52 GLY C C 52 173.693 173.693 174.316 -0.623 18657 1373 1 4 . 1 1 52 52 GLY CA C 52 45.046 45.046 45.809 -0.763 18657 1374 1 4 . 1 1 52 52 GLY H H 52 8.852 8.852 9.009 -0.157 18657 1375 1 4 . 1 1 53 53 THR N N 53 119.372 119.372 119.882 -0.510 18657 1376 1 4 . 1 1 53 53 THR HA H 53 4.143 4.143 4.451 -0.308 18657 1377 1 4 . 1 1 53 53 THR C C 53 173.482 173.482 174.458 -0.976 18657 1378 1 4 . 1 1 53 53 THR CA C 53 63.363 63.363 62.400 0.963 18657 1379 1 4 . 1 1 53 53 THR CB C 53 69.448 69.448 68.881 0.567 18657 1380 1 4 . 1 1 53 53 THR H H 53 7.706 7.706 7.763 -0.057 18657 1381 1 4 . 1 1 54 54 THR N N 54 125.168 125.168 123.483 1.685 18657 1382 1 4 . 1 1 54 54 THR HA H 54 4.137 4.137 4.040 0.097 18657 1383 1 4 . 1 1 54 54 THR C C 54 173.018 173.018 173.904 -0.886 18657 1384 1 4 . 1 1 54 54 THR CA C 54 63.314 63.314 64.460 -1.146 18657 1385 1 4 . 1 1 54 54 THR CB C 54 68.846 68.846 69.438 -0.592 18657 1386 1 4 . 1 1 54 54 THR H H 54 8.914 8.914 8.601 0.313 18657 1387 1 4 . 1 1 55 55 LEU N N 55 131.166 131.166 127.003 4.163 18657 1388 1 4 . 1 1 55 55 LEU HA H 55 4.298 4.298 4.503 -0.205 18657 1389 1 4 . 1 1 55 55 LEU C C 55 174.234 174.234 175.457 -1.223 18657 1390 1 4 . 1 1 55 55 LEU CA C 55 55.132 55.132 54.394 0.738 18657 1391 1 4 . 1 1 55 55 LEU CB C 55 42.317 42.317 43.767 -1.450 18657 1392 1 4 . 1 1 55 55 LEU H H 55 9.006 9.006 8.845 0.161 18657 1393 1 4 . 1 1 56 56 MET N N 56 126.627 126.627 123.176 3.451 18657 1394 1 4 . 1 1 56 56 MET HA H 56 5.043 5.043 4.869 0.174 18657 1395 1 4 . 1 1 56 56 MET CA C 56 51.058 51.058 52.548 -1.490 18657 1396 1 4 . 1 1 56 56 MET CB C 56 31.593 31.593 33.398 -1.806 18657 1397 1 4 . 1 1 56 56 MET H H 56 8.028 8.028 8.560 -0.532 18657 1398 1 4 . 1 1 57 57 PRO HA H 57 3.695 3.695 3.497 0.198 18657 1399 1 4 . 1 1 57 57 PRO C C 57 176.780 176.780 176.382 0.398 18657 1400 1 4 . 1 1 57 57 PRO CA C 57 66.142 66.142 64.341 1.801 18657 1401 1 4 . 1 1 57 57 PRO CB C 57 32.795 32.795 31.579 1.216 18657 1402 1 4 . 1 1 58 58 ASP N N 58 110.360 110.360 116.607 -6.247 18657 1403 1 4 . 1 1 58 58 ASP HA H 58 4.436 4.436 4.690 -0.254 18657 1404 1 4 . 1 1 58 58 ASP C C 58 176.945 176.945 175.690 1.255 18657 1405 1 4 . 1 1 58 58 ASP CA C 58 54.660 54.660 54.743 -0.083 18657 1406 1 4 . 1 1 58 58 ASP CB C 58 39.716 39.716 40.510 -0.794 18657 1407 1 4 . 1 1 58 58 ASP H H 58 8.036 8.036 8.552 -0.516 18657 1408 1 4 . 1 1 59 59 MET N N 59 116.951 116.951 117.030 -0.079 18657 1409 1 4 . 1 1 59 59 MET HA H 59 4.642 4.642 4.793 -0.151 18657 1410 1 4 . 1 1 59 59 MET C C 59 174.817 174.817 174.509 0.308 18657 1411 1 4 . 1 1 59 59 MET CA C 59 56.757 56.757 55.395 1.362 18657 1412 1 4 . 1 1 59 59 MET CB C 59 33.587 33.587 35.059 -1.472 18657 1413 1 4 . 1 1 59 59 MET H H 59 8.066 8.066 7.367 0.699 18657 1414 1 4 . 1 1 60 60 VAL N N 60 117.470 117.470 120.090 -2.620 18657 1415 1 4 . 1 1 60 60 VAL HA H 60 4.351 4.351 4.519 -0.168 18657 1416 1 4 . 1 1 60 60 VAL C C 60 176.067 176.067 175.487 0.580 18657 1417 1 4 . 1 1 60 60 VAL CA C 60 61.229 61.229 59.637 1.592 18657 1418 1 4 . 1 1 60 60 VAL CB C 60 33.146 33.146 33.882 -0.736 18657 1419 1 4 . 1 1 60 60 VAL H H 60 7.109 7.109 7.203 -0.094 18657 1420 1 4 . 1 1 61 61 LYS N N 61 128.839 128.839 127.826 1.013 18657 1421 1 4 . 1 1 61 61 LYS HA H 61 4.122 4.122 4.381 -0.259 18657 1422 1 4 . 1 1 61 61 LYS C C 61 177.652 177.652 177.013 0.639 18657 1423 1 4 . 1 1 61 61 LYS CA C 61 58.146 58.146 56.254 1.892 18657 1424 1 4 . 1 1 61 61 LYS CB C 61 32.336 32.336 33.473 -1.137 18657 1425 1 4 . 1 1 61 61 LYS H H 61 9.069 9.069 8.107 0.962 18657 1426 1 4 . 1 1 62 62 GLY N N 62 113.363 113.363 109.998 3.365 18657 1427 1 4 . 1 1 62 62 GLY C C 62 174.621 174.621 174.562 0.059 18657 1428 1 4 . 1 1 62 62 GLY CA C 62 45.506 45.506 46.254 -0.748 18657 1429 1 4 . 1 1 62 62 GLY H H 62 9.094 9.094 8.596 0.498 18657 1430 1 4 . 1 1 63 63 TYR N N 63 120.959 120.959 119.501 1.458 18657 1431 1 4 . 1 1 63 63 TYR HA H 63 3.971 3.971 4.479 -0.508 18657 1432 1 4 . 1 1 63 63 TYR C C 63 174.228 174.228 174.780 -0.552 18657 1433 1 4 . 1 1 63 63 TYR CA C 63 60.374 60.374 58.224 2.150 18657 1434 1 4 . 1 1 63 63 TYR CB C 63 39.040 39.040 39.895 -0.855 18657 1435 1 4 . 1 1 63 63 TYR H H 63 7.564 7.564 7.447 0.117 18657 1436 1 4 . 1 1 64 64 ALA N N 64 129.533 129.533 122.869 6.664 18657 1437 1 4 . 1 1 64 64 ALA HA H 64 4.425 4.425 4.511 -0.086 18657 1438 1 4 . 1 1 64 64 ALA CA C 64 49.480 49.480 50.855 -1.375 18657 1439 1 4 . 1 1 64 64 ALA CB C 64 19.620 19.620 19.004 0.616 18657 1440 1 4 . 1 1 64 64 ALA H H 64 7.546 7.546 6.699 0.847 18657 1441 1 4 . 1 1 65 65 PRO HA H 65 4.250 4.250 4.463 -0.213 18657 1442 1 4 . 1 1 65 65 PRO C C 65 175.380 175.380 176.622 -1.242 18657 1443 1 4 . 1 1 65 65 PRO CA C 65 62.712 62.712 62.399 0.313 18657 1444 1 4 . 1 1 65 65 PRO CB C 65 32.210 32.210 32.359 -0.150 18657 1445 1 5 . 1 1 1 1 ASN HA H 1 4.703 4.703 4.827 -0.124 18657 1446 1 5 . 1 1 1 1 ASN C C 1 174.258 174.258 173.446 0.812 18657 1447 1 5 . 1 1 1 1 ASN CA C 1 53.192 53.192 53.156 0.036 18657 1448 1 5 . 1 1 1 1 ASN CB C 1 38.954 38.954 39.628 -0.674 18657 1449 1 5 . 1 1 2 2 GLN N N 2 120.041 120.041 124.417 -4.376 18657 1450 1 5 . 1 1 2 2 GLN HA H 2 4.323 4.323 4.218 0.105 18657 1451 1 5 . 1 1 2 2 GLN C C 2 176.004 176.004 175.474 0.530 18657 1452 1 5 . 1 1 2 2 GLN CA C 2 55.835 55.835 55.899 -0.064 18657 1453 1 5 . 1 1 2 2 GLN CB C 2 29.640 29.640 29.107 0.533 18657 1454 1 5 . 1 1 2 2 GLN H H 2 8.597 8.597 8.566 0.031 18657 1455 1 5 . 1 1 3 3 GLU N N 3 124.166 124.166 126.890 -2.724 18657 1456 1 5 . 1 1 3 3 GLU HA H 3 4.294 4.294 4.541 -0.247 18657 1457 1 5 . 1 1 3 3 GLU C C 3 177.305 177.305 175.339 1.966 18657 1458 1 5 . 1 1 3 3 GLU CA C 3 56.597 56.597 55.469 1.128 18657 1459 1 5 . 1 1 3 3 GLU CB C 3 32.196 32.196 31.359 0.837 18657 1460 1 5 . 1 1 3 3 GLU H H 3 9.025 9.025 8.768 0.257 18657 1461 1 5 . 1 1 4 4 SER N N 4 118.222 118.222 120.274 -2.052 18657 1462 1 5 . 1 1 4 4 SER HA H 4 5.412 5.412 5.089 0.323 18657 1463 1 5 . 1 1 4 4 SER C C 4 171.713 171.713 174.097 -2.384 18657 1464 1 5 . 1 1 4 4 SER CA C 4 57.271 57.271 57.825 -0.554 18657 1465 1 5 . 1 1 4 4 SER CB C 4 66.319 66.319 65.184 1.135 18657 1466 1 5 . 1 1 4 4 SER H H 4 8.925 8.925 8.241 0.684 18657 1467 1 5 . 1 1 5 5 VAL N N 5 122.304 122.304 123.764 -1.460 18657 1468 1 5 . 1 1 5 5 VAL HA H 5 4.156 4.156 4.396 -0.240 18657 1469 1 5 . 1 1 5 5 VAL C C 5 174.325 174.325 175.612 -1.287 18657 1470 1 5 . 1 1 5 5 VAL CA C 5 63.408 63.408 64.066 -0.658 18657 1471 1 5 . 1 1 5 5 VAL CB C 5 31.916 31.916 32.108 -0.192 18657 1472 1 5 . 1 1 5 5 VAL H H 5 8.506 8.506 8.789 -0.283 18657 1473 1 5 . 1 1 6 6 VAL N N 6 126.068 126.068 126.170 -0.102 18657 1474 1 5 . 1 1 6 6 VAL HA H 6 4.512 4.512 4.291 0.221 18657 1475 1 5 . 1 1 6 6 VAL C C 6 174.958 174.958 174.780 0.178 18657 1476 1 5 . 1 1 6 6 VAL CA C 6 59.365 59.365 60.386 -1.021 18657 1477 1 5 . 1 1 6 6 VAL CB C 6 36.189 36.189 34.981 1.208 18657 1478 1 5 . 1 1 6 6 VAL H H 6 8.637 8.637 8.715 -0.078 18657 1479 1 5 . 1 1 7 7 ALA N N 7 126.887 126.887 129.533 -2.646 18657 1480 1 5 . 1 1 7 7 ALA HA H 7 4.441 4.441 4.308 0.133 18657 1481 1 5 . 1 1 7 7 ALA C C 7 178.642 178.642 177.921 0.721 18657 1482 1 5 . 1 1 7 7 ALA CA C 7 53.079 53.079 52.538 0.541 18657 1483 1 5 . 1 1 7 7 ALA CB C 7 19.055 19.055 18.679 0.376 18657 1484 1 5 . 1 1 7 7 ALA H H 7 8.318 8.318 8.177 0.141 18657 1485 1 5 . 1 1 8 8 ALA N N 8 129.962 129.962 127.828 2.134 18657 1486 1 5 . 1 1 8 8 ALA HA H 8 4.162 4.162 4.115 0.047 18657 1487 1 5 . 1 1 8 8 ALA C C 8 174.975 174.975 177.080 -2.105 18657 1488 1 5 . 1 1 8 8 ALA CA C 8 52.229 52.229 53.929 -1.700 18657 1489 1 5 . 1 1 8 8 ALA CB C 8 19.350 19.350 19.285 0.065 18657 1490 1 5 . 1 1 8 8 ALA H H 8 9.248 9.248 8.242 1.006 18657 1491 1 5 . 1 1 9 9 GLN N N 9 111.285 111.285 112.554 -1.269 18657 1492 1 5 . 1 1 9 9 GLN HA H 9 4.510 4.510 4.411 0.099 18657 1493 1 5 . 1 1 9 9 GLN C C 9 172.373 172.373 174.278 -1.905 18657 1494 1 5 . 1 1 9 9 GLN CA C 9 52.613 52.613 53.631 -1.018 18657 1495 1 5 . 1 1 9 9 GLN CB C 9 32.673 32.673 30.700 1.973 18657 1496 1 5 . 1 1 9 9 GLN H H 9 7.709 7.709 7.455 0.254 18657 1497 1 5 . 1 1 10 10 LEU N N 10 120.553 120.553 122.350 -1.797 18657 1498 1 5 . 1 1 10 10 LEU HA H 10 4.541 4.541 4.262 0.279 18657 1499 1 5 . 1 1 10 10 LEU C C 10 177.120 177.120 175.560 1.560 18657 1500 1 5 . 1 1 10 10 LEU CA C 10 56.329 56.329 56.117 0.212 18657 1501 1 5 . 1 1 10 10 LEU CB C 10 41.176 41.176 42.121 -0.945 18657 1502 1 5 . 1 1 10 10 LEU H H 10 8.501 8.501 8.504 -0.003 18657 1503 1 5 . 1 1 11 11 ILE N N 11 132.775 132.775 128.571 4.204 18657 1504 1 5 . 1 1 11 11 ILE HA H 11 4.604 4.604 4.608 -0.004 18657 1505 1 5 . 1 1 11 11 ILE CA C 11 59.247 59.247 57.740 1.507 18657 1506 1 5 . 1 1 11 11 ILE CB C 11 39.630 39.630 40.564 -0.934 18657 1507 1 5 . 1 1 11 11 ILE H H 11 9.329 9.329 8.953 0.376 18657 1508 1 5 . 1 1 12 12 PRO HA H 12 4.392 4.392 4.523 -0.131 18657 1509 1 5 . 1 1 12 12 PRO C C 12 176.644 176.644 176.269 0.375 18657 1510 1 5 . 1 1 12 12 PRO CA C 12 61.904 61.904 61.373 0.531 18657 1511 1 5 . 1 1 12 12 PRO CB C 12 32.576 32.576 32.398 0.178 18657 1512 1 5 . 1 1 13 13 ILE N N 13 121.774 121.774 120.188 1.586 18657 1513 1 5 . 1 1 13 13 ILE HA H 13 3.380 3.380 3.598 -0.218 18657 1514 1 5 . 1 1 13 13 ILE C C 13 173.621 173.621 175.856 -2.235 18657 1515 1 5 . 1 1 13 13 ILE CA C 13 63.705 63.705 62.644 1.061 18657 1516 1 5 . 1 1 13 13 ILE CB C 13 38.836 38.836 38.567 0.269 18657 1517 1 5 . 1 1 13 13 ILE H H 13 7.938 7.938 8.132 -0.194 18657 1518 1 5 . 1 1 14 14 ASN N N 14 117.013 117.013 121.861 -4.848 18657 1519 1 5 . 1 1 14 14 ASN HA H 14 4.565 4.565 4.402 0.163 18657 1520 1 5 . 1 1 14 14 ASN C C 14 173.943 173.943 173.828 0.115 18657 1521 1 5 . 1 1 14 14 ASN CA C 14 55.344 55.344 54.971 0.373 18657 1522 1 5 . 1 1 14 14 ASN CB C 14 37.014 37.014 36.319 0.695 18657 1523 1 5 . 1 1 14 14 ASN H H 14 7.240 7.240 9.020 -1.780 18657 1524 1 5 . 1 1 15 15 THR N N 15 116.580 116.580 115.730 0.850 18657 1525 1 5 . 1 1 15 15 THR HA H 15 3.966 3.966 4.431 -0.465 18657 1526 1 5 . 1 1 15 15 THR C C 15 172.956 172.956 173.906 -0.950 18657 1527 1 5 . 1 1 15 15 THR CA C 15 64.332 64.332 61.828 2.504 18657 1528 1 5 . 1 1 15 15 THR CB C 15 69.532 69.532 69.737 -0.205 18657 1529 1 5 . 1 1 15 15 THR H H 15 7.313 7.313 7.457 -0.144 18657 1530 1 5 . 1 1 16 16 ALA N N 16 128.035 128.035 131.637 -3.602 18657 1531 1 5 . 1 1 16 16 ALA HA H 16 4.246 4.246 4.144 0.102 18657 1532 1 5 . 1 1 16 16 ALA C C 16 176.643 176.643 176.789 -0.146 18657 1533 1 5 . 1 1 16 16 ALA CA C 16 50.750 50.750 52.350 -1.600 18657 1534 1 5 . 1 1 16 16 ALA CB C 16 18.653 18.653 18.285 0.367 18657 1535 1 5 . 1 1 16 16 ALA H H 16 8.545 8.545 8.744 -0.199 18657 1536 1 5 . 1 1 17 17 LEU N N 17 125.094 125.094 125.598 -0.504 18657 1537 1 5 . 1 1 17 17 LEU HA H 17 4.505 4.505 4.211 0.294 18657 1538 1 5 . 1 1 17 17 LEU C C 17 178.848 178.848 177.077 1.771 18657 1539 1 5 . 1 1 17 17 LEU CA C 17 56.127 56.127 55.946 0.181 18657 1540 1 5 . 1 1 17 17 LEU CB C 17 42.573 42.573 42.601 -0.028 18657 1541 1 5 . 1 1 17 17 LEU H H 17 9.114 9.114 8.199 0.915 18657 1542 1 5 . 1 1 18 18 THR N N 18 113.568 113.568 112.145 1.423 18657 1543 1 5 . 1 1 18 18 THR HA H 18 4.623 4.623 4.448 0.175 18657 1544 1 5 . 1 1 18 18 THR C C 18 175.028 175.028 174.665 0.363 18657 1545 1 5 . 1 1 18 18 THR CA C 18 58.935 58.935 59.824 -0.889 18657 1546 1 5 . 1 1 18 18 THR CB C 18 71.185 71.185 71.683 -0.498 18657 1547 1 5 . 1 1 18 18 THR H H 18 7.980 7.980 8.004 -0.024 18657 1548 1 5 . 1 1 19 19 LEU N N 19 121.118 121.118 121.613 -0.495 18657 1549 1 5 . 1 1 19 19 LEU HA H 19 3.817 3.817 4.245 -0.428 18657 1550 1 5 . 1 1 19 19 LEU C C 19 179.309 179.309 176.633 2.676 18657 1551 1 5 . 1 1 19 19 LEU CA C 19 58.710 58.710 56.679 2.031 18657 1552 1 5 . 1 1 19 19 LEU CB C 19 42.213 42.213 41.805 0.408 18657 1553 1 5 . 1 1 19 19 LEU H H 19 8.882 8.882 8.633 0.249 18657 1554 1 5 . 1 1 20 20 VAL N N 20 110.454 110.454 110.345 0.109 18657 1555 1 5 . 1 1 20 20 VAL HA H 20 4.021 4.021 4.110 -0.089 18657 1556 1 5 . 1 1 20 20 VAL C C 20 176.778 176.778 175.901 0.877 18657 1557 1 5 . 1 1 20 20 VAL CA C 20 63.377 63.377 63.225 0.152 18657 1558 1 5 . 1 1 20 20 VAL CB C 20 31.558 31.558 31.856 -0.298 18657 1559 1 5 . 1 1 20 20 VAL H H 20 7.528 7.528 7.647 -0.119 18657 1560 1 5 . 1 1 21 21 MET N N 21 116.848 116.848 117.581 -0.733 18657 1561 1 5 . 1 1 21 21 MET HA H 21 3.940 3.940 4.606 -0.666 18657 1562 1 5 . 1 1 21 21 MET C C 21 175.514 175.514 175.287 0.227 18657 1563 1 5 . 1 1 21 21 MET CA C 21 57.965 57.965 55.756 2.209 18657 1564 1 5 . 1 1 21 21 MET CB C 21 32.889 32.889 35.019 -2.130 18657 1565 1 5 . 1 1 21 21 MET H H 21 7.518 7.518 8.046 -0.528 18657 1566 1 5 . 1 1 22 22 MET N N 22 116.986 116.986 117.786 -0.800 18657 1567 1 5 . 1 1 22 22 MET HA H 22 4.893 4.893 4.852 0.041 18657 1568 1 5 . 1 1 22 22 MET C C 22 173.981 173.981 174.876 -0.895 18657 1569 1 5 . 1 1 22 22 MET CA C 22 55.373 55.373 54.842 0.531 18657 1570 1 5 . 1 1 22 22 MET CB C 22 37.383 37.383 36.947 0.436 18657 1571 1 5 . 1 1 22 22 MET H H 22 7.709 7.709 7.544 0.165 18657 1572 1 5 . 1 1 23 23 THR N N 23 118.163 118.163 112.820 5.343 18657 1573 1 5 . 1 1 23 23 THR HA H 23 4.788 4.788 4.635 0.153 18657 1574 1 5 . 1 1 23 23 THR C C 23 172.307 172.307 172.530 -0.223 18657 1575 1 5 . 1 1 23 23 THR CA C 23 58.678 58.678 60.247 -1.569 18657 1576 1 5 . 1 1 23 23 THR CB C 23 69.836 69.836 70.781 -0.946 18657 1577 1 5 . 1 1 23 23 THR H H 23 9.041 9.041 8.203 0.838 18657 1578 1 5 . 1 1 24 24 THR N N 24 111.374 111.374 112.688 -1.314 18657 1579 1 5 . 1 1 24 24 THR HA H 24 5.691 5.691 5.105 0.586 18657 1580 1 5 . 1 1 24 24 THR C C 24 174.035 174.035 173.658 0.377 18657 1581 1 5 . 1 1 24 24 THR CA C 24 58.843 58.843 59.838 -0.995 18657 1582 1 5 . 1 1 24 24 THR CB C 24 71.456 71.456 71.438 0.019 18657 1583 1 5 . 1 1 24 24 THR H H 24 8.139 8.139 8.290 -0.151 18657 1584 1 5 . 1 1 25 25 ARG N N 25 119.402 119.402 123.555 -4.153 18657 1585 1 5 . 1 1 25 25 ARG HA H 25 4.575 4.575 4.507 0.068 18657 1586 1 5 . 1 1 25 25 ARG C C 25 174.979 174.979 173.910 1.069 18657 1587 1 5 . 1 1 25 25 ARG CA C 25 55.085 55.085 55.778 -0.693 18657 1588 1 5 . 1 1 25 25 ARG CB C 25 35.806 35.806 34.131 1.675 18657 1589 1 5 . 1 1 25 25 ARG H H 25 8.626 8.626 8.257 0.369 18657 1590 1 5 . 1 1 26 26 VAL N N 26 124.668 124.668 125.541 -0.873 18657 1591 1 5 . 1 1 26 26 VAL HA H 26 4.132 4.132 4.008 0.124 18657 1592 1 5 . 1 1 26 26 VAL C C 26 174.893 174.893 176.004 -1.111 18657 1593 1 5 . 1 1 26 26 VAL CA C 26 64.085 64.085 63.418 0.667 18657 1594 1 5 . 1 1 26 26 VAL CB C 26 30.450 30.450 30.951 -0.501 18657 1595 1 5 . 1 1 26 26 VAL H H 26 9.050 9.050 8.511 0.539 18657 1596 1 5 . 1 1 27 27 VAL N N 27 123.136 123.136 123.341 -0.205 18657 1597 1 5 . 1 1 27 27 VAL HA H 27 4.649 4.649 4.537 0.112 18657 1598 1 5 . 1 1 27 27 VAL C C 27 174.747 174.747 174.094 0.653 18657 1599 1 5 . 1 1 27 27 VAL CA C 27 59.232 59.232 59.163 0.069 18657 1600 1 5 . 1 1 27 27 VAL CB C 27 36.205 36.205 34.931 1.274 18657 1601 1 5 . 1 1 27 27 VAL H H 27 8.266 8.266 7.899 0.367 18657 1602 1 5 . 1 1 28 28 SER N N 28 116.564 116.564 116.846 -0.282 18657 1603 1 5 . 1 1 28 28 SER HA H 28 4.535 4.535 4.911 -0.376 18657 1604 1 5 . 1 1 28 28 SER CA C 28 54.880 54.880 55.739 -0.858 18657 1605 1 5 . 1 1 28 28 SER CB C 28 64.922 64.922 64.655 0.267 18657 1606 1 5 . 1 1 28 28 SER H H 28 8.302 8.302 8.234 0.068 18657 1607 1 5 . 1 1 29 29 PRO HA H 29 4.774 4.774 4.727 0.047 18657 1608 1 5 . 1 1 29 29 PRO C C 29 176.324 176.324 175.845 0.479 18657 1609 1 5 . 1 1 29 29 PRO CA C 29 62.543 62.543 62.471 0.072 18657 1610 1 5 . 1 1 29 29 PRO CB C 29 34.561 34.561 32.687 1.874 18657 1611 1 5 . 1 1 30 30 THR N N 30 113.418 113.418 112.230 1.188 18657 1612 1 5 . 1 1 30 30 THR HA H 30 3.830 3.830 4.303 -0.473 18657 1613 1 5 . 1 1 30 30 THR C C 30 174.556 174.556 174.279 0.277 18657 1614 1 5 . 1 1 30 30 THR CA C 30 62.846 62.846 61.965 0.881 18657 1615 1 5 . 1 1 30 30 THR CB C 30 69.384 69.384 69.392 -0.008 18657 1616 1 5 . 1 1 30 30 THR H H 30 8.492 8.492 8.257 0.235 18657 1617 1 5 . 1 1 31 31 GLY N N 31 109.224 109.224 109.093 0.131 18657 1618 1 5 . 1 1 31 31 GLY C C 31 174.722 174.722 173.385 1.337 18657 1619 1 5 . 1 1 31 31 GLY CA C 31 44.844 44.844 43.514 1.331 18657 1620 1 5 . 1 1 31 31 GLY H H 31 8.054 8.054 8.020 0.034 18657 1621 1 5 . 1 1 32 32 ILE N N 32 128.549 128.549 122.699 5.850 18657 1622 1 5 . 1 1 32 32 ILE HA H 32 3.959 3.959 4.002 -0.043 18657 1623 1 5 . 1 1 32 32 ILE CA C 32 61.251 61.251 62.069 -0.818 18657 1624 1 5 . 1 1 32 32 ILE CB C 32 39.665 39.665 37.591 2.074 18657 1625 1 5 . 1 1 32 32 ILE H H 32 8.820 8.820 8.085 0.735 18657 1626 1 5 . 1 1 33 33 PRO HA H 33 4.777 4.777 4.577 0.200 18657 1627 1 5 . 1 1 33 33 PRO C C 33 177.878 177.878 177.260 0.618 18657 1628 1 5 . 1 1 33 33 PRO CA C 33 63.110 63.110 62.462 0.648 18657 1629 1 5 . 1 1 33 33 PRO CB C 33 32.793 32.793 32.147 0.646 18657 1630 1 5 . 1 1 34 34 ALA N N 34 123.151 123.151 126.222 -3.071 18657 1631 1 5 . 1 1 34 34 ALA HA H 34 3.722 3.722 4.042 -0.320 18657 1632 1 5 . 1 1 34 34 ALA C C 34 179.547 179.547 179.474 0.073 18657 1633 1 5 . 1 1 34 34 ALA CA C 34 54.835 54.835 54.869 -0.034 18657 1634 1 5 . 1 1 34 34 ALA CB C 34 19.974 19.974 18.561 1.413 18657 1635 1 5 . 1 1 34 34 ALA H H 34 7.973 7.973 8.787 -0.814 18657 1636 1 5 . 1 1 35 35 GLU N N 35 116.421 116.421 117.255 -0.834 18657 1637 1 5 . 1 1 35 35 GLU HA H 35 4.022 4.022 4.133 -0.111 18657 1638 1 5 . 1 1 35 35 GLU C C 35 176.479 176.479 176.378 0.101 18657 1639 1 5 . 1 1 35 35 GLU CA C 35 58.966 58.966 58.143 0.823 18657 1640 1 5 . 1 1 35 35 GLU CB C 35 28.642 28.642 29.092 -0.450 18657 1641 1 5 . 1 1 35 35 GLU H H 35 9.247 9.247 8.613 0.634 18657 1642 1 5 . 1 1 36 36 ASP N N 36 118.097 118.097 118.823 -0.726 18657 1643 1 5 . 1 1 36 36 ASP HA H 36 4.955 4.955 4.886 0.069 18657 1644 1 5 . 1 1 36 36 ASP C C 36 176.823 176.823 176.694 0.129 18657 1645 1 5 . 1 1 36 36 ASP CA C 36 54.568 54.568 53.802 0.766 18657 1646 1 5 . 1 1 36 36 ASP CB C 36 40.971 40.971 40.505 0.466 18657 1647 1 5 . 1 1 36 36 ASP H H 36 8.146 8.146 8.300 -0.154 18657 1648 1 5 . 1 1 37 37 ILE N N 37 121.429 121.429 122.748 -1.319 18657 1649 1 5 . 1 1 37 37 ILE HA H 37 3.636 3.636 3.974 -0.338 18657 1650 1 5 . 1 1 37 37 ILE CA C 37 68.859 68.859 67.466 1.393 18657 1651 1 5 . 1 1 37 37 ILE CB C 37 35.859 35.859 36.447 -0.588 18657 1652 1 5 . 1 1 37 37 ILE H H 37 7.520 7.520 7.863 -0.343 18657 1653 1 5 . 1 1 38 38 PRO HA H 38 4.183 4.183 4.403 -0.220 18657 1654 1 5 . 1 1 38 38 PRO C C 38 179.052 179.052 176.999 2.053 18657 1655 1 5 . 1 1 38 38 PRO CA C 38 65.906 65.906 64.592 1.314 18657 1656 1 5 . 1 1 38 38 PRO CB C 38 31.030 31.030 31.050 -0.020 18657 1657 1 5 . 1 1 39 39 ARG N N 39 115.064 115.064 116.925 -1.861 18657 1658 1 5 . 1 1 39 39 ARG HA H 39 4.237 4.237 4.378 -0.141 18657 1659 1 5 . 1 1 39 39 ARG C C 39 176.002 176.002 177.861 -1.859 18657 1660 1 5 . 1 1 39 39 ARG CA C 39 57.362 57.362 57.956 -0.594 18657 1661 1 5 . 1 1 39 39 ARG CB C 39 30.510 30.510 31.427 -0.917 18657 1662 1 5 . 1 1 39 39 ARG H H 39 7.367 7.367 7.987 -0.620 18657 1663 1 5 . 1 1 40 40 LEU N N 40 118.158 118.158 118.520 -0.362 18657 1664 1 5 . 1 1 40 40 LEU HA H 40 4.080 4.080 4.366 -0.286 18657 1665 1 5 . 1 1 40 40 LEU C C 40 177.804 177.804 177.084 0.720 18657 1666 1 5 . 1 1 40 40 LEU CA C 40 55.770 55.770 55.494 0.276 18657 1667 1 5 . 1 1 40 40 LEU CB C 40 42.782 42.782 41.876 0.906 18657 1668 1 5 . 1 1 40 40 LEU H H 40 7.782 7.782 8.324 -0.542 18657 1669 1 5 . 1 1 41 41 ILE N N 41 115.608 115.608 117.703 -2.095 18657 1670 1 5 . 1 1 41 41 ILE HA H 41 3.345 3.345 3.763 -0.418 18657 1671 1 5 . 1 1 41 41 ILE C C 41 178.078 178.078 176.318 1.760 18657 1672 1 5 . 1 1 41 41 ILE CA C 41 62.606 62.606 63.306 -0.700 18657 1673 1 5 . 1 1 41 41 ILE CB C 41 36.606 36.606 36.471 0.135 18657 1674 1 5 . 1 1 41 41 ILE H H 41 6.799 6.799 7.530 -0.731 18657 1675 1 5 . 1 1 42 42 SER N N 42 121.395 121.395 118.536 2.859 18657 1676 1 5 . 1 1 42 42 SER HA H 42 3.991 3.991 4.098 -0.107 18657 1677 1 5 . 1 1 42 42 SER C C 42 173.816 173.816 173.794 0.022 18657 1678 1 5 . 1 1 42 42 SER CA C 42 62.348 62.348 59.879 2.469 18657 1679 1 5 . 1 1 42 42 SER CB C 42 62.947 62.947 63.347 -0.400 18657 1680 1 5 . 1 1 42 42 SER H H 42 9.328 9.328 8.919 0.409 18657 1681 1 5 . 1 1 43 43 MET N N 43 123.672 123.672 120.776 2.896 18657 1682 1 5 . 1 1 43 43 MET HA H 43 4.449 4.449 4.630 -0.181 18657 1683 1 5 . 1 1 43 43 MET C C 43 175.128 175.128 176.054 -0.926 18657 1684 1 5 . 1 1 43 43 MET CA C 43 57.119 57.119 55.135 1.984 18657 1685 1 5 . 1 1 43 43 MET CB C 43 32.831 32.831 33.320 -0.489 18657 1686 1 5 . 1 1 43 43 MET H H 43 8.806 8.806 8.036 0.770 18657 1687 1 5 . 1 1 44 44 GLN N N 44 118.463 118.463 123.174 -4.711 18657 1688 1 5 . 1 1 44 44 GLN HA H 44 5.256 5.256 4.676 0.580 18657 1689 1 5 . 1 1 44 44 GLN C C 44 177.035 177.035 175.836 1.199 18657 1690 1 5 . 1 1 44 44 GLN CA C 44 54.304 54.304 55.514 -1.210 18657 1691 1 5 . 1 1 44 44 GLN CB C 44 32.083 32.083 29.812 2.271 18657 1692 1 5 . 1 1 44 44 GLN H H 44 8.947 8.947 8.737 0.210 18657 1693 1 5 . 1 1 45 45 VAL N N 45 111.238 111.238 112.689 -1.451 18657 1694 1 5 . 1 1 45 45 VAL HA H 45 5.297 5.297 4.741 0.556 18657 1695 1 5 . 1 1 45 45 VAL C C 45 177.962 177.962 175.503 2.459 18657 1696 1 5 . 1 1 45 45 VAL CA C 45 59.950 59.950 59.096 0.854 18657 1697 1 5 . 1 1 45 45 VAL CB C 45 33.437 33.437 34.535 -1.098 18657 1698 1 5 . 1 1 45 45 VAL H H 45 7.564 7.564 7.989 -0.425 18657 1699 1 5 . 1 1 46 46 ASN N N 46 118.782 118.782 121.068 -2.286 18657 1700 1 5 . 1 1 46 46 ASN HA H 46 4.716 4.716 4.721 -0.005 18657 1701 1 5 . 1 1 46 46 ASN C C 46 174.812 174.812 174.953 -0.141 18657 1702 1 5 . 1 1 46 46 ASN CA C 46 51.680 51.680 52.358 -0.678 18657 1703 1 5 . 1 1 46 46 ASN CB C 46 39.469 39.469 38.925 0.544 18657 1704 1 5 . 1 1 46 46 ASN H H 46 8.556 8.556 8.317 0.239 18657 1705 1 5 . 1 1 47 47 GLN N N 47 112.810 112.810 116.691 -3.881 18657 1706 1 5 . 1 1 47 47 GLN HA H 47 4.549 4.549 4.259 0.290 18657 1707 1 5 . 1 1 47 47 GLN C C 47 172.365 172.365 173.888 -1.523 18657 1708 1 5 . 1 1 47 47 GLN CA C 47 53.013 53.013 54.986 -1.973 18657 1709 1 5 . 1 1 47 47 GLN CB C 47 32.841 32.841 32.048 0.793 18657 1710 1 5 . 1 1 47 47 GLN H H 47 7.663 7.663 7.630 0.033 18657 1711 1 5 . 1 1 48 48 VAL N N 48 118.841 118.841 124.095 -5.254 18657 1712 1 5 . 1 1 48 48 VAL HA H 48 4.184 4.184 4.050 0.134 18657 1713 1 5 . 1 1 48 48 VAL C C 48 176.865 176.865 175.623 1.242 18657 1714 1 5 . 1 1 48 48 VAL CA C 48 62.932 62.932 63.835 -0.903 18657 1715 1 5 . 1 1 48 48 VAL CB C 48 31.788 31.788 31.628 0.160 18657 1716 1 5 . 1 1 48 48 VAL H H 48 8.407 8.407 8.477 -0.070 18657 1717 1 5 . 1 1 49 49 VAL N N 49 130.600 130.600 128.893 1.707 18657 1718 1 5 . 1 1 49 49 VAL HA H 49 4.547 4.547 4.553 -0.006 18657 1719 1 5 . 1 1 49 49 VAL CA C 49 59.419 59.419 59.092 0.327 18657 1720 1 5 . 1 1 49 49 VAL CB C 49 33.236 33.236 33.501 -0.265 18657 1721 1 5 . 1 1 49 49 VAL H H 49 9.165 9.165 9.162 0.003 18657 1722 1 5 . 1 1 50 50 PRO HA H 50 4.227 4.227 4.487 -0.260 18657 1723 1 5 . 1 1 50 50 PRO C C 50 176.512 176.512 176.138 0.374 18657 1724 1 5 . 1 1 50 50 PRO CA C 50 62.220 62.220 61.608 0.612 18657 1725 1 5 . 1 1 50 50 PRO CB C 50 32.282 32.282 32.509 -0.227 18657 1726 1 5 . 1 1 51 51 MET N N 51 123.146 123.146 118.971 4.175 18657 1727 1 5 . 1 1 51 51 MET HA H 51 3.322 3.322 4.067 -0.745 18657 1728 1 5 . 1 1 51 51 MET C C 51 176.953 176.953 177.833 -0.880 18657 1729 1 5 . 1 1 51 51 MET CA C 51 58.534 58.534 57.636 0.898 18657 1730 1 5 . 1 1 51 51 MET CB C 51 32.593 32.593 33.062 -0.469 18657 1731 1 5 . 1 1 51 51 MET H H 51 8.598 8.598 8.291 0.307 18657 1732 1 5 . 1 1 52 52 GLY N N 52 114.707 114.707 114.178 0.529 18657 1733 1 5 . 1 1 52 52 GLY C C 52 173.693 173.693 174.320 -0.627 18657 1734 1 5 . 1 1 52 52 GLY CA C 52 45.046 45.046 45.825 -0.779 18657 1735 1 5 . 1 1 52 52 GLY H H 52 8.852 8.852 9.115 -0.263 18657 1736 1 5 . 1 1 53 53 THR N N 53 119.372 119.372 120.311 -0.939 18657 1737 1 5 . 1 1 53 53 THR HA H 53 4.143 4.143 4.371 -0.228 18657 1738 1 5 . 1 1 53 53 THR C C 53 173.482 173.482 174.598 -1.116 18657 1739 1 5 . 1 1 53 53 THR CA C 53 63.363 63.363 62.913 0.450 18657 1740 1 5 . 1 1 53 53 THR CB C 53 69.448 69.448 68.702 0.746 18657 1741 1 5 . 1 1 53 53 THR H H 53 7.706 7.706 7.658 0.048 18657 1742 1 5 . 1 1 54 54 THR N N 54 125.168 125.168 123.256 1.912 18657 1743 1 5 . 1 1 54 54 THR HA H 54 4.137 4.137 4.112 0.025 18657 1744 1 5 . 1 1 54 54 THR C C 54 173.018 173.018 173.807 -0.789 18657 1745 1 5 . 1 1 54 54 THR CA C 54 63.314 63.314 64.199 -0.885 18657 1746 1 5 . 1 1 54 54 THR CB C 54 68.846 68.846 69.379 -0.533 18657 1747 1 5 . 1 1 54 54 THR H H 54 8.914 8.914 8.563 0.351 18657 1748 1 5 . 1 1 55 55 LEU N N 55 131.166 131.166 126.289 4.877 18657 1749 1 5 . 1 1 55 55 LEU HA H 55 4.298 4.298 4.497 -0.199 18657 1750 1 5 . 1 1 55 55 LEU C C 55 174.234 174.234 175.617 -1.383 18657 1751 1 5 . 1 1 55 55 LEU CA C 55 55.132 55.132 53.911 1.220 18657 1752 1 5 . 1 1 55 55 LEU CB C 55 42.317 42.317 42.608 -0.290 18657 1753 1 5 . 1 1 55 55 LEU H H 55 9.006 9.006 8.806 0.200 18657 1754 1 5 . 1 1 56 56 MET N N 56 126.627 126.627 123.503 3.124 18657 1755 1 5 . 1 1 56 56 MET HA H 56 5.043 5.043 4.853 0.190 18657 1756 1 5 . 1 1 56 56 MET CA C 56 51.058 51.058 52.475 -1.417 18657 1757 1 5 . 1 1 56 56 MET CB C 56 31.593 31.593 33.218 -1.625 18657 1758 1 5 . 1 1 56 56 MET H H 56 8.028 8.028 8.609 -0.581 18657 1759 1 5 . 1 1 57 57 PRO HA H 57 3.695 3.695 3.506 0.189 18657 1760 1 5 . 1 1 57 57 PRO C C 57 176.780 176.780 176.112 0.668 18657 1761 1 5 . 1 1 57 57 PRO CA C 57 66.142 66.142 64.303 1.839 18657 1762 1 5 . 1 1 57 57 PRO CB C 57 32.795 32.795 31.148 1.647 18657 1763 1 5 . 1 1 58 58 ASP N N 58 110.360 110.360 113.824 -3.464 18657 1764 1 5 . 1 1 58 58 ASP HA H 58 4.436 4.436 4.638 -0.202 18657 1765 1 5 . 1 1 58 58 ASP C C 58 176.945 176.945 176.259 0.686 18657 1766 1 5 . 1 1 58 58 ASP CA C 58 54.660 54.660 54.608 0.052 18657 1767 1 5 . 1 1 58 58 ASP CB C 58 39.716 39.716 40.142 -0.426 18657 1768 1 5 . 1 1 58 58 ASP H H 58 8.036 8.036 8.551 -0.515 18657 1769 1 5 . 1 1 59 59 MET N N 59 116.951 116.951 118.269 -1.318 18657 1770 1 5 . 1 1 59 59 MET HA H 59 4.642 4.642 4.809 -0.167 18657 1771 1 5 . 1 1 59 59 MET C C 59 174.817 174.817 174.768 0.049 18657 1772 1 5 . 1 1 59 59 MET CA C 59 56.757 56.757 55.598 1.159 18657 1773 1 5 . 1 1 59 59 MET CB C 59 33.587 33.587 34.339 -0.752 18657 1774 1 5 . 1 1 59 59 MET H H 59 8.066 8.066 7.343 0.723 18657 1775 1 5 . 1 1 60 60 VAL N N 60 117.470 117.470 120.364 -2.894 18657 1776 1 5 . 1 1 60 60 VAL HA H 60 4.351 4.351 4.502 -0.151 18657 1777 1 5 . 1 1 60 60 VAL C C 60 176.067 176.067 175.544 0.523 18657 1778 1 5 . 1 1 60 60 VAL CA C 60 61.229 61.229 59.552 1.677 18657 1779 1 5 . 1 1 60 60 VAL CB C 60 33.146 33.146 33.902 -0.756 18657 1780 1 5 . 1 1 60 60 VAL H H 60 7.109 7.109 7.226 -0.117 18657 1781 1 5 . 1 1 61 61 LYS N N 61 128.839 128.839 128.538 0.301 18657 1782 1 5 . 1 1 61 61 LYS HA H 61 4.122 4.122 4.421 -0.299 18657 1783 1 5 . 1 1 61 61 LYS C C 61 177.652 177.652 177.023 0.629 18657 1784 1 5 . 1 1 61 61 LYS CA C 61 58.146 58.146 56.147 2.000 18657 1785 1 5 . 1 1 61 61 LYS CB C 61 32.336 32.336 32.584 -0.248 18657 1786 1 5 . 1 1 61 61 LYS H H 61 9.069 9.069 8.160 0.909 18657 1787 1 5 . 1 1 62 62 GLY N N 62 113.363 113.363 109.237 4.126 18657 1788 1 5 . 1 1 62 62 GLY C C 62 174.621 174.621 174.499 0.122 18657 1789 1 5 . 1 1 62 62 GLY CA C 62 45.506 45.506 46.263 -0.757 18657 1790 1 5 . 1 1 62 62 GLY H H 62 9.094 9.094 8.673 0.421 18657 1791 1 5 . 1 1 63 63 TYR N N 63 120.959 120.959 119.477 1.482 18657 1792 1 5 . 1 1 63 63 TYR HA H 63 3.971 3.971 4.468 -0.497 18657 1793 1 5 . 1 1 63 63 TYR C C 63 174.228 174.228 174.727 -0.499 18657 1794 1 5 . 1 1 63 63 TYR CA C 63 60.374 60.374 58.293 2.081 18657 1795 1 5 . 1 1 63 63 TYR CB C 63 39.040 39.040 39.872 -0.832 18657 1796 1 5 . 1 1 63 63 TYR H H 63 7.564 7.564 7.390 0.174 18657 1797 1 5 . 1 1 64 64 ALA N N 64 129.533 129.533 122.915 6.618 18657 1798 1 5 . 1 1 64 64 ALA HA H 64 4.425 4.425 4.492 -0.067 18657 1799 1 5 . 1 1 64 64 ALA CA C 64 49.480 49.480 50.788 -1.308 18657 1800 1 5 . 1 1 64 64 ALA CB C 64 19.620 19.620 19.145 0.475 18657 1801 1 5 . 1 1 64 64 ALA H H 64 7.546 7.546 6.641 0.905 18657 1802 1 5 . 1 1 65 65 PRO HA H 65 4.250 4.250 4.501 -0.251 18657 1803 1 5 . 1 1 65 65 PRO C C 65 175.380 175.380 176.956 -1.576 18657 1804 1 5 . 1 1 65 65 PRO CA C 65 62.712 62.712 62.276 0.436 18657 1805 1 5 . 1 1 65 65 PRO CB C 65 32.210 32.210 32.389 -0.179 18657 1806 1 6 . 1 1 1 1 ASN HA H 1 4.703 4.703 4.915 -0.212 18657 1807 1 6 . 1 1 1 1 ASN C C 1 174.258 174.258 174.360 -0.102 18657 1808 1 6 . 1 1 1 1 ASN CA C 1 53.192 53.192 53.211 -0.019 18657 1809 1 6 . 1 1 1 1 ASN CB C 1 38.954 38.954 39.520 -0.566 18657 1810 1 6 . 1 1 2 2 GLN N N 2 120.041 120.041 122.797 -2.756 18657 1811 1 6 . 1 1 2 2 GLN HA H 2 4.323 4.323 4.428 -0.105 18657 1812 1 6 . 1 1 2 2 GLN C C 2 176.004 176.004 175.086 0.918 18657 1813 1 6 . 1 1 2 2 GLN CA C 2 55.835 55.835 55.352 0.483 18657 1814 1 6 . 1 1 2 2 GLN CB C 2 29.640 29.640 29.378 0.262 18657 1815 1 6 . 1 1 2 2 GLN H H 2 8.597 8.597 8.530 0.067 18657 1816 1 6 . 1 1 3 3 GLU N N 3 124.166 124.166 126.930 -2.764 18657 1817 1 6 . 1 1 3 3 GLU HA H 3 4.294 4.294 4.544 -0.250 18657 1818 1 6 . 1 1 3 3 GLU C C 3 177.305 177.305 175.419 1.886 18657 1819 1 6 . 1 1 3 3 GLU CA C 3 56.597 56.597 55.647 0.950 18657 1820 1 6 . 1 1 3 3 GLU CB C 3 32.196 32.196 31.099 1.097 18657 1821 1 6 . 1 1 3 3 GLU H H 3 9.025 9.025 8.837 0.188 18657 1822 1 6 . 1 1 4 4 SER N N 4 118.222 118.222 120.609 -2.387 18657 1823 1 6 . 1 1 4 4 SER HA H 4 5.412 5.412 5.077 0.335 18657 1824 1 6 . 1 1 4 4 SER C C 4 171.713 171.713 173.931 -2.218 18657 1825 1 6 . 1 1 4 4 SER CA C 4 57.271 57.271 57.954 -0.683 18657 1826 1 6 . 1 1 4 4 SER CB C 4 66.319 66.319 65.015 1.304 18657 1827 1 6 . 1 1 4 4 SER H H 4 8.925 8.925 8.315 0.610 18657 1828 1 6 . 1 1 5 5 VAL N N 5 122.304 122.304 123.215 -0.911 18657 1829 1 6 . 1 1 5 5 VAL HA H 5 4.156 4.156 4.540 -0.384 18657 1830 1 6 . 1 1 5 5 VAL C C 5 174.325 174.325 176.010 -1.685 18657 1831 1 6 . 1 1 5 5 VAL CA C 5 63.408 63.408 63.594 -0.187 18657 1832 1 6 . 1 1 5 5 VAL CB C 5 31.916 31.916 31.527 0.389 18657 1833 1 6 . 1 1 5 5 VAL H H 5 8.506 8.506 8.788 -0.282 18657 1834 1 6 . 1 1 6 6 VAL N N 6 126.068 126.068 125.831 0.237 18657 1835 1 6 . 1 1 6 6 VAL HA H 6 4.512 4.512 4.268 0.244 18657 1836 1 6 . 1 1 6 6 VAL C C 6 174.958 174.958 174.593 0.365 18657 1837 1 6 . 1 1 6 6 VAL CA C 6 59.365 59.365 60.586 -1.221 18657 1838 1 6 . 1 1 6 6 VAL CB C 6 36.189 36.189 34.821 1.368 18657 1839 1 6 . 1 1 6 6 VAL H H 6 8.637 8.637 8.858 -0.221 18657 1840 1 6 . 1 1 7 7 ALA N N 7 126.887 126.887 129.787 -2.900 18657 1841 1 6 . 1 1 7 7 ALA HA H 7 4.441 4.441 4.390 0.051 18657 1842 1 6 . 1 1 7 7 ALA C C 7 178.642 178.642 177.906 0.736 18657 1843 1 6 . 1 1 7 7 ALA CA C 7 53.079 53.079 52.285 0.793 18657 1844 1 6 . 1 1 7 7 ALA CB C 7 19.055 19.055 18.648 0.406 18657 1845 1 6 . 1 1 7 7 ALA H H 7 8.318 8.318 8.217 0.101 18657 1846 1 6 . 1 1 8 8 ALA N N 8 129.962 129.962 128.356 1.606 18657 1847 1 6 . 1 1 8 8 ALA HA H 8 4.162 4.162 4.132 0.030 18657 1848 1 6 . 1 1 8 8 ALA C C 8 174.975 174.975 177.232 -2.257 18657 1849 1 6 . 1 1 8 8 ALA CA C 8 52.229 52.229 54.096 -1.867 18657 1850 1 6 . 1 1 8 8 ALA CB C 8 19.350 19.350 19.277 0.073 18657 1851 1 6 . 1 1 8 8 ALA H H 8 9.248 9.248 8.405 0.843 18657 1852 1 6 . 1 1 9 9 GLN N N 9 111.285 111.285 113.582 -2.297 18657 1853 1 6 . 1 1 9 9 GLN HA H 9 4.510 4.510 4.470 0.040 18657 1854 1 6 . 1 1 9 9 GLN C C 9 172.373 172.373 174.579 -2.206 18657 1855 1 6 . 1 1 9 9 GLN CA C 9 52.613 52.613 53.142 -0.528 18657 1856 1 6 . 1 1 9 9 GLN CB C 9 32.673 32.673 31.473 1.200 18657 1857 1 6 . 1 1 9 9 GLN H H 9 7.709 7.709 7.663 0.046 18657 1858 1 6 . 1 1 10 10 LEU N N 10 120.553 120.553 122.893 -2.340 18657 1859 1 6 . 1 1 10 10 LEU HA H 10 4.541 4.541 4.310 0.231 18657 1860 1 6 . 1 1 10 10 LEU C C 10 177.120 177.120 175.564 1.556 18657 1861 1 6 . 1 1 10 10 LEU CA C 10 56.329 56.329 56.158 0.171 18657 1862 1 6 . 1 1 10 10 LEU CB C 10 41.176 41.176 42.082 -0.906 18657 1863 1 6 . 1 1 10 10 LEU H H 10 8.501 8.501 8.435 0.066 18657 1864 1 6 . 1 1 11 11 ILE N N 11 132.775 132.775 127.399 5.376 18657 1865 1 6 . 1 1 11 11 ILE HA H 11 4.604 4.604 4.647 -0.043 18657 1866 1 6 . 1 1 11 11 ILE CA C 11 59.247 59.247 57.547 1.700 18657 1867 1 6 . 1 1 11 11 ILE CB C 11 39.630 39.630 39.547 0.083 18657 1868 1 6 . 1 1 11 11 ILE H H 11 9.329 9.329 8.930 0.399 18657 1869 1 6 . 1 1 12 12 PRO HA H 12 4.392 4.392 4.537 -0.145 18657 1870 1 6 . 1 1 12 12 PRO C C 12 176.644 176.644 176.456 0.188 18657 1871 1 6 . 1 1 12 12 PRO CA C 12 61.904 61.904 61.307 0.597 18657 1872 1 6 . 1 1 12 12 PRO CB C 12 32.576 32.576 32.331 0.245 18657 1873 1 6 . 1 1 13 13 ILE N N 13 121.774 121.774 120.273 1.501 18657 1874 1 6 . 1 1 13 13 ILE HA H 13 3.380 3.380 3.648 -0.268 18657 1875 1 6 . 1 1 13 13 ILE C C 13 173.621 173.621 175.866 -2.245 18657 1876 1 6 . 1 1 13 13 ILE CA C 13 63.705 63.705 63.069 0.636 18657 1877 1 6 . 1 1 13 13 ILE CB C 13 38.836 38.836 38.353 0.483 18657 1878 1 6 . 1 1 13 13 ILE H H 13 7.938 7.938 8.148 -0.210 18657 1879 1 6 . 1 1 14 14 ASN N N 14 117.013 117.013 122.294 -5.281 18657 1880 1 6 . 1 1 14 14 ASN HA H 14 4.565 4.565 4.498 0.067 18657 1881 1 6 . 1 1 14 14 ASN C C 14 173.943 173.943 173.998 -0.055 18657 1882 1 6 . 1 1 14 14 ASN CA C 14 55.344 55.344 54.853 0.491 18657 1883 1 6 . 1 1 14 14 ASN CB C 14 37.014 37.014 36.662 0.352 18657 1884 1 6 . 1 1 14 14 ASN H H 14 7.240 7.240 8.762 -1.522 18657 1885 1 6 . 1 1 15 15 THR N N 15 116.580 116.580 114.674 1.906 18657 1886 1 6 . 1 1 15 15 THR HA H 15 3.966 3.966 4.447 -0.481 18657 1887 1 6 . 1 1 15 15 THR C C 15 172.956 172.956 173.777 -0.821 18657 1888 1 6 . 1 1 15 15 THR CA C 15 64.332 64.332 61.499 2.833 18657 1889 1 6 . 1 1 15 15 THR CB C 15 69.532 69.532 70.514 -0.982 18657 1890 1 6 . 1 1 15 15 THR H H 15 7.313 7.313 7.543 -0.230 18657 1891 1 6 . 1 1 16 16 ALA N N 16 128.035 128.035 131.024 -2.989 18657 1892 1 6 . 1 1 16 16 ALA HA H 16 4.246 4.246 4.148 0.098 18657 1893 1 6 . 1 1 16 16 ALA C C 16 176.643 176.643 177.115 -0.472 18657 1894 1 6 . 1 1 16 16 ALA CA C 16 50.750 50.750 52.362 -1.612 18657 1895 1 6 . 1 1 16 16 ALA CB C 16 18.653 18.653 18.478 0.175 18657 1896 1 6 . 1 1 16 16 ALA H H 16 8.545 8.545 8.773 -0.228 18657 1897 1 6 . 1 1 17 17 LEU N N 17 125.094 125.094 126.821 -1.727 18657 1898 1 6 . 1 1 17 17 LEU HA H 17 4.505 4.505 4.307 0.198 18657 1899 1 6 . 1 1 17 17 LEU C C 17 178.848 178.848 177.303 1.545 18657 1900 1 6 . 1 1 17 17 LEU CA C 17 56.127 56.127 55.532 0.595 18657 1901 1 6 . 1 1 17 17 LEU CB C 17 42.573 42.573 42.597 -0.024 18657 1902 1 6 . 1 1 17 17 LEU H H 17 9.114 9.114 8.435 0.679 18657 1903 1 6 . 1 1 18 18 THR N N 18 113.568 113.568 112.077 1.491 18657 1904 1 6 . 1 1 18 18 THR HA H 18 4.623 4.623 4.457 0.166 18657 1905 1 6 . 1 1 18 18 THR C C 18 175.028 175.028 174.700 0.328 18657 1906 1 6 . 1 1 18 18 THR CA C 18 58.935 58.935 59.742 -0.807 18657 1907 1 6 . 1 1 18 18 THR CB C 18 71.185 71.185 71.797 -0.612 18657 1908 1 6 . 1 1 18 18 THR H H 18 7.980 7.980 8.014 -0.034 18657 1909 1 6 . 1 1 19 19 LEU N N 19 121.118 121.118 122.233 -1.115 18657 1910 1 6 . 1 1 19 19 LEU HA H 19 3.817 3.817 4.241 -0.424 18657 1911 1 6 . 1 1 19 19 LEU C C 19 179.309 179.309 177.323 1.986 18657 1912 1 6 . 1 1 19 19 LEU CA C 19 58.710 58.710 57.058 1.652 18657 1913 1 6 . 1 1 19 19 LEU CB C 19 42.213 42.213 41.272 0.941 18657 1914 1 6 . 1 1 19 19 LEU H H 19 8.882 8.882 8.702 0.180 18657 1915 1 6 . 1 1 20 20 VAL N N 20 110.454 110.454 112.155 -1.701 18657 1916 1 6 . 1 1 20 20 VAL HA H 20 4.021 4.021 4.118 -0.097 18657 1917 1 6 . 1 1 20 20 VAL C C 20 176.778 176.778 175.693 1.085 18657 1918 1 6 . 1 1 20 20 VAL CA C 20 63.377 63.377 63.888 -0.511 18657 1919 1 6 . 1 1 20 20 VAL CB C 20 31.558 31.558 31.813 -0.255 18657 1920 1 6 . 1 1 20 20 VAL H H 20 7.528 7.528 7.871 -0.343 18657 1921 1 6 . 1 1 21 21 MET N N 21 116.848 116.848 117.724 -0.876 18657 1922 1 6 . 1 1 21 21 MET HA H 21 3.940 3.940 4.630 -0.690 18657 1923 1 6 . 1 1 21 21 MET C C 21 175.514 175.514 174.868 0.646 18657 1924 1 6 . 1 1 21 21 MET CA C 21 57.965 57.965 55.325 2.639 18657 1925 1 6 . 1 1 21 21 MET CB C 21 32.889 32.889 34.396 -1.507 18657 1926 1 6 . 1 1 21 21 MET H H 21 7.518 7.518 7.973 -0.455 18657 1927 1 6 . 1 1 22 22 MET N N 22 116.986 116.986 117.400 -0.414 18657 1928 1 6 . 1 1 22 22 MET HA H 22 4.893 4.893 4.907 -0.014 18657 1929 1 6 . 1 1 22 22 MET C C 22 173.981 173.981 175.032 -1.051 18657 1930 1 6 . 1 1 22 22 MET CA C 22 55.373 55.373 54.680 0.693 18657 1931 1 6 . 1 1 22 22 MET CB C 22 37.383 37.383 37.104 0.279 18657 1932 1 6 . 1 1 22 22 MET H H 22 7.709 7.709 7.206 0.503 18657 1933 1 6 . 1 1 23 23 THR N N 23 118.163 118.163 113.196 4.967 18657 1934 1 6 . 1 1 23 23 THR HA H 23 4.788 4.788 4.644 0.144 18657 1935 1 6 . 1 1 23 23 THR C C 23 172.307 172.307 172.390 -0.083 18657 1936 1 6 . 1 1 23 23 THR CA C 23 58.678 58.678 60.148 -1.470 18657 1937 1 6 . 1 1 23 23 THR CB C 23 69.836 69.836 70.861 -1.025 18657 1938 1 6 . 1 1 23 23 THR H H 23 9.041 9.041 8.315 0.726 18657 1939 1 6 . 1 1 24 24 THR N N 24 111.374 111.374 113.044 -1.670 18657 1940 1 6 . 1 1 24 24 THR HA H 24 5.691 5.691 5.150 0.541 18657 1941 1 6 . 1 1 24 24 THR C C 24 174.035 174.035 173.737 0.298 18657 1942 1 6 . 1 1 24 24 THR CA C 24 58.843 58.843 59.620 -0.777 18657 1943 1 6 . 1 1 24 24 THR CB C 24 71.456 71.456 71.203 0.253 18657 1944 1 6 . 1 1 24 24 THR H H 24 8.139 8.139 8.305 -0.166 18657 1945 1 6 . 1 1 25 25 ARG N N 25 119.402 119.402 124.479 -5.077 18657 1946 1 6 . 1 1 25 25 ARG HA H 25 4.575 4.575 4.487 0.088 18657 1947 1 6 . 1 1 25 25 ARG C C 25 174.979 174.979 173.880 1.099 18657 1948 1 6 . 1 1 25 25 ARG CA C 25 55.085 55.085 55.487 -0.402 18657 1949 1 6 . 1 1 25 25 ARG CB C 25 35.806 35.806 34.317 1.489 18657 1950 1 6 . 1 1 25 25 ARG H H 25 8.626 8.626 8.408 0.218 18657 1951 1 6 . 1 1 26 26 VAL N N 26 124.668 124.668 125.964 -1.296 18657 1952 1 6 . 1 1 26 26 VAL HA H 26 4.132 4.132 3.988 0.144 18657 1953 1 6 . 1 1 26 26 VAL C C 26 174.893 174.893 175.993 -1.100 18657 1954 1 6 . 1 1 26 26 VAL CA C 26 64.085 64.085 63.438 0.646 18657 1955 1 6 . 1 1 26 26 VAL CB C 26 30.450 30.450 30.266 0.184 18657 1956 1 6 . 1 1 26 26 VAL H H 26 9.050 9.050 8.440 0.610 18657 1957 1 6 . 1 1 27 27 VAL N N 27 123.136 123.136 123.347 -0.211 18657 1958 1 6 . 1 1 27 27 VAL HA H 27 4.649 4.649 4.568 0.081 18657 1959 1 6 . 1 1 27 27 VAL C C 27 174.747 174.747 173.953 0.794 18657 1960 1 6 . 1 1 27 27 VAL CA C 27 59.232 59.232 59.043 0.189 18657 1961 1 6 . 1 1 27 27 VAL CB C 27 36.205 36.205 35.056 1.149 18657 1962 1 6 . 1 1 27 27 VAL H H 27 8.266 8.266 7.808 0.458 18657 1963 1 6 . 1 1 28 28 SER N N 28 116.564 116.564 116.394 0.170 18657 1964 1 6 . 1 1 28 28 SER HA H 28 4.535 4.535 4.906 -0.371 18657 1965 1 6 . 1 1 28 28 SER CA C 28 54.880 54.880 55.164 -0.284 18657 1966 1 6 . 1 1 28 28 SER CB C 28 64.922 64.922 64.464 0.458 18657 1967 1 6 . 1 1 28 28 SER H H 28 8.302 8.302 8.310 -0.008 18657 1968 1 6 . 1 1 29 29 PRO HA H 29 4.774 4.774 4.661 0.113 18657 1969 1 6 . 1 1 29 29 PRO C C 29 176.324 176.324 176.175 0.149 18657 1970 1 6 . 1 1 29 29 PRO CA C 29 62.543 62.543 62.574 -0.031 18657 1971 1 6 . 1 1 29 29 PRO CB C 29 34.561 34.561 32.335 2.226 18657 1972 1 6 . 1 1 30 30 THR N N 30 113.418 113.418 112.127 1.291 18657 1973 1 6 . 1 1 30 30 THR HA H 30 3.830 3.830 4.317 -0.487 18657 1974 1 6 . 1 1 30 30 THR C C 30 174.556 174.556 174.091 0.465 18657 1975 1 6 . 1 1 30 30 THR CA C 30 62.846 62.846 61.963 0.883 18657 1976 1 6 . 1 1 30 30 THR CB C 30 69.384 69.384 69.652 -0.268 18657 1977 1 6 . 1 1 30 30 THR H H 30 8.492 8.492 8.217 0.275 18657 1978 1 6 . 1 1 31 31 GLY N N 31 109.224 109.224 109.530 -0.306 18657 1979 1 6 . 1 1 31 31 GLY C C 31 174.722 174.722 173.383 1.339 18657 1980 1 6 . 1 1 31 31 GLY CA C 31 44.844 44.844 43.440 1.404 18657 1981 1 6 . 1 1 31 31 GLY H H 31 8.054 8.054 8.075 -0.021 18657 1982 1 6 . 1 1 32 32 ILE N N 32 128.549 128.549 122.599 5.950 18657 1983 1 6 . 1 1 32 32 ILE HA H 32 3.959 3.959 4.002 -0.043 18657 1984 1 6 . 1 1 32 32 ILE CA C 32 61.251 61.251 62.152 -0.901 18657 1985 1 6 . 1 1 32 32 ILE CB C 32 39.665 39.665 37.608 2.057 18657 1986 1 6 . 1 1 32 32 ILE H H 32 8.820 8.820 8.213 0.607 18657 1987 1 6 . 1 1 33 33 PRO HA H 33 4.777 4.777 4.581 0.196 18657 1988 1 6 . 1 1 33 33 PRO C C 33 177.878 177.878 177.294 0.584 18657 1989 1 6 . 1 1 33 33 PRO CA C 33 63.110 63.110 62.434 0.676 18657 1990 1 6 . 1 1 33 33 PRO CB C 33 32.793 32.793 32.155 0.638 18657 1991 1 6 . 1 1 34 34 ALA N N 34 123.151 123.151 126.153 -3.002 18657 1992 1 6 . 1 1 34 34 ALA HA H 34 3.722 3.722 4.041 -0.319 18657 1993 1 6 . 1 1 34 34 ALA C C 34 179.547 179.547 179.483 0.064 18657 1994 1 6 . 1 1 34 34 ALA CA C 34 54.835 54.835 54.879 -0.044 18657 1995 1 6 . 1 1 34 34 ALA CB C 34 19.974 19.974 18.553 1.421 18657 1996 1 6 . 1 1 34 34 ALA H H 34 7.973 7.973 8.681 -0.708 18657 1997 1 6 . 1 1 35 35 GLU N N 35 116.421 116.421 117.309 -0.888 18657 1998 1 6 . 1 1 35 35 GLU HA H 35 4.022 4.022 4.127 -0.105 18657 1999 1 6 . 1 1 35 35 GLU C C 35 176.479 176.479 176.385 0.094 18657 2000 1 6 . 1 1 35 35 GLU CA C 35 58.966 58.966 58.172 0.794 18657 2001 1 6 . 1 1 35 35 GLU CB C 35 28.642 28.642 29.092 -0.450 18657 2002 1 6 . 1 1 35 35 GLU H H 35 9.247 9.247 8.607 0.640 18657 2003 1 6 . 1 1 36 36 ASP N N 36 118.097 118.097 118.772 -0.675 18657 2004 1 6 . 1 1 36 36 ASP HA H 36 4.955 4.955 4.883 0.072 18657 2005 1 6 . 1 1 36 36 ASP C C 36 176.823 176.823 176.717 0.106 18657 2006 1 6 . 1 1 36 36 ASP CA C 36 54.568 54.568 53.838 0.730 18657 2007 1 6 . 1 1 36 36 ASP CB C 36 40.971 40.971 40.513 0.458 18657 2008 1 6 . 1 1 36 36 ASP H H 36 8.146 8.146 8.296 -0.150 18657 2009 1 6 . 1 1 37 37 ILE N N 37 121.429 121.429 122.739 -1.310 18657 2010 1 6 . 1 1 37 37 ILE HA H 37 3.636 3.636 3.973 -0.337 18657 2011 1 6 . 1 1 37 37 ILE CA C 37 68.859 68.859 67.490 1.369 18657 2012 1 6 . 1 1 37 37 ILE CB C 37 35.859 35.859 36.433 -0.574 18657 2013 1 6 . 1 1 37 37 ILE H H 37 7.520 7.520 7.907 -0.387 18657 2014 1 6 . 1 1 38 38 PRO HA H 38 4.183 4.183 4.404 -0.221 18657 2015 1 6 . 1 1 38 38 PRO C C 38 179.052 179.052 176.977 2.075 18657 2016 1 6 . 1 1 38 38 PRO CA C 38 65.906 65.906 64.572 1.334 18657 2017 1 6 . 1 1 38 38 PRO CB C 38 31.030 31.030 31.030 -0.000 18657 2018 1 6 . 1 1 39 39 ARG N N 39 115.064 115.064 116.932 -1.868 18657 2019 1 6 . 1 1 39 39 ARG HA H 39 4.237 4.237 4.386 -0.149 18657 2020 1 6 . 1 1 39 39 ARG C C 39 176.002 176.002 177.844 -1.842 18657 2021 1 6 . 1 1 39 39 ARG CA C 39 57.362 57.362 57.904 -0.542 18657 2022 1 6 . 1 1 39 39 ARG CB C 39 30.510 30.510 31.467 -0.957 18657 2023 1 6 . 1 1 39 39 ARG H H 39 7.367 7.367 7.991 -0.624 18657 2024 1 6 . 1 1 40 40 LEU N N 40 118.158 118.158 118.565 -0.407 18657 2025 1 6 . 1 1 40 40 LEU HA H 40 4.080 4.080 4.362 -0.282 18657 2026 1 6 . 1 1 40 40 LEU C C 40 177.804 177.804 177.098 0.706 18657 2027 1 6 . 1 1 40 40 LEU CA C 40 55.770 55.770 55.534 0.236 18657 2028 1 6 . 1 1 40 40 LEU CB C 40 42.782 42.782 41.882 0.900 18657 2029 1 6 . 1 1 40 40 LEU H H 40 7.782 7.782 8.313 -0.531 18657 2030 1 6 . 1 1 41 41 ILE N N 41 115.608 115.608 118.382 -2.774 18657 2031 1 6 . 1 1 41 41 ILE HA H 41 3.345 3.345 3.764 -0.419 18657 2032 1 6 . 1 1 41 41 ILE C C 41 178.078 178.078 176.341 1.737 18657 2033 1 6 . 1 1 41 41 ILE CA C 41 62.606 62.606 63.192 -0.586 18657 2034 1 6 . 1 1 41 41 ILE CB C 41 36.606 36.606 36.577 0.029 18657 2035 1 6 . 1 1 41 41 ILE H H 41 6.799 6.799 7.554 -0.755 18657 2036 1 6 . 1 1 42 42 SER N N 42 121.395 121.395 118.386 3.009 18657 2037 1 6 . 1 1 42 42 SER HA H 42 3.991 3.991 4.168 -0.177 18657 2038 1 6 . 1 1 42 42 SER C C 42 173.816 173.816 173.580 0.236 18657 2039 1 6 . 1 1 42 42 SER CA C 42 62.348 62.348 60.562 1.786 18657 2040 1 6 . 1 1 42 42 SER CB C 42 62.947 62.947 63.371 -0.424 18657 2041 1 6 . 1 1 42 42 SER H H 42 9.328 9.328 8.903 0.425 18657 2042 1 6 . 1 1 43 43 MET N N 43 123.672 123.672 120.701 2.971 18657 2043 1 6 . 1 1 43 43 MET HA H 43 4.449 4.449 4.609 -0.160 18657 2044 1 6 . 1 1 43 43 MET C C 43 175.128 175.128 175.865 -0.737 18657 2045 1 6 . 1 1 43 43 MET CA C 43 57.119 57.119 55.182 1.937 18657 2046 1 6 . 1 1 43 43 MET CB C 43 32.831 32.831 33.427 -0.596 18657 2047 1 6 . 1 1 43 43 MET H H 43 8.806 8.806 8.048 0.758 18657 2048 1 6 . 1 1 44 44 GLN N N 44 118.463 118.463 122.981 -4.518 18657 2049 1 6 . 1 1 44 44 GLN HA H 44 5.256 5.256 4.767 0.489 18657 2050 1 6 . 1 1 44 44 GLN C C 44 177.035 177.035 175.957 1.078 18657 2051 1 6 . 1 1 44 44 GLN CA C 44 54.304 54.304 55.232 -0.928 18657 2052 1 6 . 1 1 44 44 GLN CB C 44 32.083 32.083 30.034 2.049 18657 2053 1 6 . 1 1 44 44 GLN H H 44 8.947 8.947 8.765 0.182 18657 2054 1 6 . 1 1 45 45 VAL N N 45 111.238 111.238 115.206 -3.968 18657 2055 1 6 . 1 1 45 45 VAL HA H 45 5.297 5.297 4.579 0.718 18657 2056 1 6 . 1 1 45 45 VAL C C 45 177.962 177.962 175.510 2.452 18657 2057 1 6 . 1 1 45 45 VAL CA C 45 59.950 59.950 59.192 0.758 18657 2058 1 6 . 1 1 45 45 VAL CB C 45 33.437 33.437 33.452 -0.015 18657 2059 1 6 . 1 1 45 45 VAL H H 45 7.564 7.564 8.028 -0.464 18657 2060 1 6 . 1 1 46 46 ASN N N 46 118.782 118.782 119.578 -0.796 18657 2061 1 6 . 1 1 46 46 ASN HA H 46 4.716 4.716 4.811 -0.095 18657 2062 1 6 . 1 1 46 46 ASN C C 46 174.812 174.812 174.738 0.074 18657 2063 1 6 . 1 1 46 46 ASN CA C 46 51.680 51.680 52.023 -0.343 18657 2064 1 6 . 1 1 46 46 ASN CB C 46 39.469 39.469 39.361 0.108 18657 2065 1 6 . 1 1 46 46 ASN H H 46 8.556 8.556 8.366 0.190 18657 2066 1 6 . 1 1 47 47 GLN N N 47 112.810 112.810 117.109 -4.299 18657 2067 1 6 . 1 1 47 47 GLN HA H 47 4.549 4.549 4.275 0.274 18657 2068 1 6 . 1 1 47 47 GLN C C 47 172.365 172.365 173.855 -1.490 18657 2069 1 6 . 1 1 47 47 GLN CA C 47 53.013 53.013 54.811 -1.798 18657 2070 1 6 . 1 1 47 47 GLN CB C 47 32.841 32.841 32.242 0.599 18657 2071 1 6 . 1 1 47 47 GLN H H 47 7.663 7.663 7.750 -0.087 18657 2072 1 6 . 1 1 48 48 VAL N N 48 118.841 118.841 124.555 -5.714 18657 2073 1 6 . 1 1 48 48 VAL HA H 48 4.184 4.184 4.055 0.129 18657 2074 1 6 . 1 1 48 48 VAL C C 48 176.865 176.865 175.271 1.594 18657 2075 1 6 . 1 1 48 48 VAL CA C 48 62.932 62.932 63.981 -1.049 18657 2076 1 6 . 1 1 48 48 VAL CB C 48 31.788 31.788 31.408 0.380 18657 2077 1 6 . 1 1 48 48 VAL H H 48 8.407 8.407 8.479 -0.072 18657 2078 1 6 . 1 1 49 49 VAL N N 49 130.600 130.600 128.986 1.614 18657 2079 1 6 . 1 1 49 49 VAL HA H 49 4.547 4.547 4.605 -0.058 18657 2080 1 6 . 1 1 49 49 VAL CA C 49 59.419 59.419 58.428 0.991 18657 2081 1 6 . 1 1 49 49 VAL CB C 49 33.236 33.236 33.161 0.075 18657 2082 1 6 . 1 1 49 49 VAL H H 49 9.165 9.165 9.101 0.064 18657 2083 1 6 . 1 1 50 50 PRO HA H 50 4.227 4.227 4.597 -0.370 18657 2084 1 6 . 1 1 50 50 PRO C C 50 176.512 176.512 176.096 0.416 18657 2085 1 6 . 1 1 50 50 PRO CA C 50 62.220 62.220 61.428 0.792 18657 2086 1 6 . 1 1 50 50 PRO CB C 50 32.282 32.282 32.540 -0.258 18657 2087 1 6 . 1 1 51 51 MET N N 51 123.146 123.146 119.217 3.929 18657 2088 1 6 . 1 1 51 51 MET HA H 51 3.322 3.322 4.045 -0.723 18657 2089 1 6 . 1 1 51 51 MET C C 51 176.953 176.953 177.899 -0.946 18657 2090 1 6 . 1 1 51 51 MET CA C 51 58.534 58.534 57.692 0.842 18657 2091 1 6 . 1 1 51 51 MET CB C 51 32.593 32.593 33.021 -0.428 18657 2092 1 6 . 1 1 51 51 MET H H 51 8.598 8.598 8.229 0.369 18657 2093 1 6 . 1 1 52 52 GLY N N 52 114.707 114.707 113.192 1.515 18657 2094 1 6 . 1 1 52 52 GLY C C 52 173.693 173.693 174.494 -0.801 18657 2095 1 6 . 1 1 52 52 GLY CA C 52 45.046 45.046 45.822 -0.775 18657 2096 1 6 . 1 1 52 52 GLY H H 52 8.852 8.852 9.190 -0.338 18657 2097 1 6 . 1 1 53 53 THR N N 53 119.372 119.372 119.632 -0.260 18657 2098 1 6 . 1 1 53 53 THR HA H 53 4.143 4.143 4.367 -0.224 18657 2099 1 6 . 1 1 53 53 THR C C 53 173.482 173.482 174.701 -1.219 18657 2100 1 6 . 1 1 53 53 THR CA C 53 63.363 63.363 62.691 0.672 18657 2101 1 6 . 1 1 53 53 THR CB C 53 69.448 69.448 68.765 0.683 18657 2102 1 6 . 1 1 53 53 THR H H 53 7.706 7.706 7.758 -0.052 18657 2103 1 6 . 1 1 54 54 THR N N 54 125.168 125.168 123.512 1.656 18657 2104 1 6 . 1 1 54 54 THR HA H 54 4.137 4.137 4.107 0.030 18657 2105 1 6 . 1 1 54 54 THR C C 54 173.018 173.018 173.878 -0.860 18657 2106 1 6 . 1 1 54 54 THR CA C 54 63.314 63.314 64.180 -0.866 18657 2107 1 6 . 1 1 54 54 THR CB C 54 68.846 68.846 69.425 -0.579 18657 2108 1 6 . 1 1 54 54 THR H H 54 8.914 8.914 8.601 0.313 18657 2109 1 6 . 1 1 55 55 LEU N N 55 131.166 131.166 126.607 4.559 18657 2110 1 6 . 1 1 55 55 LEU HA H 55 4.298 4.298 4.459 -0.161 18657 2111 1 6 . 1 1 55 55 LEU C C 55 174.234 174.234 175.641 -1.407 18657 2112 1 6 . 1 1 55 55 LEU CA C 55 55.132 55.132 54.229 0.903 18657 2113 1 6 . 1 1 55 55 LEU CB C 55 42.317 42.317 42.191 0.126 18657 2114 1 6 . 1 1 55 55 LEU H H 55 9.006 9.006 8.782 0.224 18657 2115 1 6 . 1 1 56 56 MET N N 56 126.627 126.627 123.073 3.554 18657 2116 1 6 . 1 1 56 56 MET HA H 56 5.043 5.043 4.853 0.190 18657 2117 1 6 . 1 1 56 56 MET CA C 56 51.058 51.058 52.497 -1.439 18657 2118 1 6 . 1 1 56 56 MET CB C 56 31.593 31.593 33.385 -1.792 18657 2119 1 6 . 1 1 56 56 MET H H 56 8.028 8.028 8.606 -0.578 18657 2120 1 6 . 1 1 57 57 PRO HA H 57 3.695 3.695 3.477 0.218 18657 2121 1 6 . 1 1 57 57 PRO C C 57 176.780 176.780 176.164 0.616 18657 2122 1 6 . 1 1 57 57 PRO CA C 57 66.142 66.142 64.209 1.933 18657 2123 1 6 . 1 1 57 57 PRO CB C 57 32.795 32.795 31.379 1.416 18657 2124 1 6 . 1 1 58 58 ASP N N 58 110.360 110.360 115.144 -4.784 18657 2125 1 6 . 1 1 58 58 ASP HA H 58 4.436 4.436 4.647 -0.211 18657 2126 1 6 . 1 1 58 58 ASP C C 58 176.945 176.945 175.760 1.185 18657 2127 1 6 . 1 1 58 58 ASP CA C 58 54.660 54.660 54.478 0.182 18657 2128 1 6 . 1 1 58 58 ASP CB C 58 39.716 39.716 40.069 -0.353 18657 2129 1 6 . 1 1 58 58 ASP H H 58 8.036 8.036 8.599 -0.563 18657 2130 1 6 . 1 1 59 59 MET N N 59 116.951 116.951 118.025 -1.074 18657 2131 1 6 . 1 1 59 59 MET HA H 59 4.642 4.642 4.857 -0.215 18657 2132 1 6 . 1 1 59 59 MET C C 59 174.817 174.817 174.593 0.224 18657 2133 1 6 . 1 1 59 59 MET CA C 59 56.757 56.757 55.507 1.250 18657 2134 1 6 . 1 1 59 59 MET CB C 59 33.587 33.587 34.939 -1.352 18657 2135 1 6 . 1 1 59 59 MET H H 59 8.066 8.066 7.395 0.671 18657 2136 1 6 . 1 1 60 60 VAL N N 60 117.470 117.470 120.327 -2.857 18657 2137 1 6 . 1 1 60 60 VAL HA H 60 4.351 4.351 4.420 -0.069 18657 2138 1 6 . 1 1 60 60 VAL C C 60 176.067 176.067 175.165 0.902 18657 2139 1 6 . 1 1 60 60 VAL CA C 60 61.229 61.229 60.730 0.499 18657 2140 1 6 . 1 1 60 60 VAL CB C 60 33.146 33.146 34.561 -1.415 18657 2141 1 6 . 1 1 60 60 VAL H H 60 7.109 7.109 7.236 -0.127 18657 2142 1 6 . 1 1 61 61 LYS N N 61 128.839 128.839 127.675 1.164 18657 2143 1 6 . 1 1 61 61 LYS HA H 61 4.122 4.122 4.404 -0.282 18657 2144 1 6 . 1 1 61 61 LYS C C 61 177.652 177.652 177.069 0.583 18657 2145 1 6 . 1 1 61 61 LYS CA C 61 58.146 58.146 56.359 1.787 18657 2146 1 6 . 1 1 61 61 LYS CB C 61 32.336 32.336 33.473 -1.137 18657 2147 1 6 . 1 1 61 61 LYS H H 61 9.069 9.069 8.416 0.653 18657 2148 1 6 . 1 1 62 62 GLY N N 62 113.363 113.363 109.831 3.532 18657 2149 1 6 . 1 1 62 62 GLY C C 62 174.621 174.621 174.549 0.072 18657 2150 1 6 . 1 1 62 62 GLY CA C 62 45.506 45.506 46.291 -0.785 18657 2151 1 6 . 1 1 62 62 GLY H H 62 9.094 9.094 8.594 0.500 18657 2152 1 6 . 1 1 63 63 TYR N N 63 120.959 120.959 119.635 1.324 18657 2153 1 6 . 1 1 63 63 TYR HA H 63 3.971 3.971 4.495 -0.524 18657 2154 1 6 . 1 1 63 63 TYR C C 63 174.228 174.228 174.715 -0.487 18657 2155 1 6 . 1 1 63 63 TYR CA C 63 60.374 60.374 58.210 2.164 18657 2156 1 6 . 1 1 63 63 TYR CB C 63 39.040 39.040 39.916 -0.876 18657 2157 1 6 . 1 1 63 63 TYR H H 63 7.564 7.564 7.463 0.101 18657 2158 1 6 . 1 1 64 64 ALA N N 64 129.533 129.533 122.782 6.751 18657 2159 1 6 . 1 1 64 64 ALA HA H 64 4.425 4.425 4.523 -0.098 18657 2160 1 6 . 1 1 64 64 ALA CA C 64 49.480 49.480 50.840 -1.360 18657 2161 1 6 . 1 1 64 64 ALA CB C 64 19.620 19.620 19.212 0.408 18657 2162 1 6 . 1 1 64 64 ALA H H 64 7.546 7.546 6.624 0.922 18657 2163 1 6 . 1 1 65 65 PRO HA H 65 4.250 4.250 4.501 -0.251 18657 2164 1 6 . 1 1 65 65 PRO C C 65 175.380 175.380 176.868 -1.488 18657 2165 1 6 . 1 1 65 65 PRO CA C 65 62.712 62.712 62.298 0.414 18657 2166 1 6 . 1 1 65 65 PRO CB C 65 32.210 32.210 32.404 -0.194 18657 2167 1 7 . 1 1 1 1 ASN HA H 1 4.703 4.703 4.863 -0.160 18657 2168 1 7 . 1 1 1 1 ASN C C 1 174.258 174.258 174.224 0.034 18657 2169 1 7 . 1 1 1 1 ASN CA C 1 53.192 53.192 52.712 0.480 18657 2170 1 7 . 1 1 1 1 ASN CB C 1 38.954 38.954 39.482 -0.528 18657 2171 1 7 . 1 1 2 2 GLN N N 2 120.041 120.041 123.052 -3.011 18657 2172 1 7 . 1 1 2 2 GLN HA H 2 4.323 4.323 4.216 0.107 18657 2173 1 7 . 1 1 2 2 GLN C C 2 176.004 176.004 175.549 0.455 18657 2174 1 7 . 1 1 2 2 GLN CA C 2 55.835 55.835 55.963 -0.128 18657 2175 1 7 . 1 1 2 2 GLN CB C 2 29.640 29.640 29.070 0.570 18657 2176 1 7 . 1 1 2 2 GLN H H 2 8.597 8.597 8.637 -0.040 18657 2177 1 7 . 1 1 3 3 GLU N N 3 124.166 124.166 127.187 -3.021 18657 2178 1 7 . 1 1 3 3 GLU HA H 3 4.294 4.294 4.502 -0.208 18657 2179 1 7 . 1 1 3 3 GLU C C 3 177.305 177.305 175.311 1.994 18657 2180 1 7 . 1 1 3 3 GLU CA C 3 56.597 56.597 55.602 0.994 18657 2181 1 7 . 1 1 3 3 GLU CB C 3 32.196 32.196 31.152 1.044 18657 2182 1 7 . 1 1 3 3 GLU H H 3 9.025 9.025 8.727 0.298 18657 2183 1 7 . 1 1 4 4 SER N N 4 118.222 118.222 120.543 -2.321 18657 2184 1 7 . 1 1 4 4 SER HA H 4 5.412 5.412 5.064 0.348 18657 2185 1 7 . 1 1 4 4 SER C C 4 171.713 171.713 173.878 -2.165 18657 2186 1 7 . 1 1 4 4 SER CA C 4 57.271 57.271 57.898 -0.627 18657 2187 1 7 . 1 1 4 4 SER CB C 4 66.319 66.319 65.030 1.289 18657 2188 1 7 . 1 1 4 4 SER H H 4 8.925 8.925 8.151 0.774 18657 2189 1 7 . 1 1 5 5 VAL N N 5 122.304 122.304 123.712 -1.408 18657 2190 1 7 . 1 1 5 5 VAL HA H 5 4.156 4.156 4.508 -0.352 18657 2191 1 7 . 1 1 5 5 VAL C C 5 174.325 174.325 175.817 -1.492 18657 2192 1 7 . 1 1 5 5 VAL CA C 5 63.408 63.408 63.338 0.070 18657 2193 1 7 . 1 1 5 5 VAL CB C 5 31.916 31.916 31.457 0.459 18657 2194 1 7 . 1 1 5 5 VAL H H 5 8.506 8.506 8.777 -0.271 18657 2195 1 7 . 1 1 6 6 VAL N N 6 126.068 126.068 125.564 0.504 18657 2196 1 7 . 1 1 6 6 VAL HA H 6 4.512 4.512 4.291 0.221 18657 2197 1 7 . 1 1 6 6 VAL C C 6 174.958 174.958 174.697 0.261 18657 2198 1 7 . 1 1 6 6 VAL CA C 6 59.365 59.365 60.221 -0.856 18657 2199 1 7 . 1 1 6 6 VAL CB C 6 36.189 36.189 35.075 1.114 18657 2200 1 7 . 1 1 6 6 VAL H H 6 8.637 8.637 8.364 0.273 18657 2201 1 7 . 1 1 7 7 ALA N N 7 126.887 126.887 128.920 -2.033 18657 2202 1 7 . 1 1 7 7 ALA HA H 7 4.441 4.441 4.296 0.145 18657 2203 1 7 . 1 1 7 7 ALA C C 7 178.642 178.642 177.850 0.792 18657 2204 1 7 . 1 1 7 7 ALA CA C 7 53.079 53.079 52.550 0.529 18657 2205 1 7 . 1 1 7 7 ALA CB C 7 19.055 19.055 18.569 0.486 18657 2206 1 7 . 1 1 7 7 ALA H H 7 8.318 8.318 8.212 0.106 18657 2207 1 7 . 1 1 8 8 ALA N N 8 129.962 129.962 127.759 2.203 18657 2208 1 7 . 1 1 8 8 ALA HA H 8 4.162 4.162 4.143 0.019 18657 2209 1 7 . 1 1 8 8 ALA C C 8 174.975 174.975 176.960 -1.985 18657 2210 1 7 . 1 1 8 8 ALA CA C 8 52.229 52.229 54.069 -1.840 18657 2211 1 7 . 1 1 8 8 ALA CB C 8 19.350 19.350 19.270 0.080 18657 2212 1 7 . 1 1 8 8 ALA H H 8 9.248 9.248 8.345 0.903 18657 2213 1 7 . 1 1 9 9 GLN N N 9 111.285 111.285 112.516 -1.231 18657 2214 1 7 . 1 1 9 9 GLN HA H 9 4.510 4.510 4.393 0.117 18657 2215 1 7 . 1 1 9 9 GLN C C 9 172.373 172.373 174.293 -1.920 18657 2216 1 7 . 1 1 9 9 GLN CA C 9 52.613 52.613 53.938 -1.325 18657 2217 1 7 . 1 1 9 9 GLN CB C 9 32.673 32.673 30.527 2.146 18657 2218 1 7 . 1 1 9 9 GLN H H 9 7.709 7.709 7.453 0.256 18657 2219 1 7 . 1 1 10 10 LEU N N 10 120.553 120.553 122.073 -1.520 18657 2220 1 7 . 1 1 10 10 LEU HA H 10 4.541 4.541 4.280 0.261 18657 2221 1 7 . 1 1 10 10 LEU C C 10 177.120 177.120 175.623 1.497 18657 2222 1 7 . 1 1 10 10 LEU CA C 10 56.329 56.329 56.123 0.206 18657 2223 1 7 . 1 1 10 10 LEU CB C 10 41.176 41.176 42.184 -1.008 18657 2224 1 7 . 1 1 10 10 LEU H H 10 8.501 8.501 8.401 0.100 18657 2225 1 7 . 1 1 11 11 ILE N N 11 132.775 132.775 127.119 5.656 18657 2226 1 7 . 1 1 11 11 ILE HA H 11 4.604 4.604 4.643 -0.039 18657 2227 1 7 . 1 1 11 11 ILE CA C 11 59.247 59.247 57.558 1.689 18657 2228 1 7 . 1 1 11 11 ILE CB C 11 39.630 39.630 39.817 -0.187 18657 2229 1 7 . 1 1 11 11 ILE H H 11 9.329 9.329 8.894 0.435 18657 2230 1 7 . 1 1 12 12 PRO HA H 12 4.392 4.392 4.531 -0.139 18657 2231 1 7 . 1 1 12 12 PRO C C 12 176.644 176.644 176.246 0.398 18657 2232 1 7 . 1 1 12 12 PRO CA C 12 61.904 61.904 61.304 0.600 18657 2233 1 7 . 1 1 12 12 PRO CB C 12 32.576 32.576 32.424 0.152 18657 2234 1 7 . 1 1 13 13 ILE N N 13 121.774 121.774 120.460 1.314 18657 2235 1 7 . 1 1 13 13 ILE HA H 13 3.380 3.380 3.603 -0.223 18657 2236 1 7 . 1 1 13 13 ILE C C 13 173.621 173.621 175.773 -2.152 18657 2237 1 7 . 1 1 13 13 ILE CA C 13 63.705 63.705 62.791 0.915 18657 2238 1 7 . 1 1 13 13 ILE CB C 13 38.836 38.836 38.449 0.387 18657 2239 1 7 . 1 1 13 13 ILE H H 13 7.938 7.938 8.157 -0.219 18657 2240 1 7 . 1 1 14 14 ASN N N 14 117.013 117.013 121.394 -4.381 18657 2241 1 7 . 1 1 14 14 ASN HA H 14 4.565 4.565 4.397 0.168 18657 2242 1 7 . 1 1 14 14 ASN C C 14 173.943 173.943 173.826 0.117 18657 2243 1 7 . 1 1 14 14 ASN CA C 14 55.344 55.344 54.844 0.500 18657 2244 1 7 . 1 1 14 14 ASN CB C 14 37.014 37.014 36.040 0.974 18657 2245 1 7 . 1 1 14 14 ASN H H 14 7.240 7.240 8.797 -1.557 18657 2246 1 7 . 1 1 15 15 THR N N 15 116.580 116.580 115.749 0.831 18657 2247 1 7 . 1 1 15 15 THR HA H 15 3.966 3.966 4.419 -0.453 18657 2248 1 7 . 1 1 15 15 THR C C 15 172.956 172.956 173.818 -0.862 18657 2249 1 7 . 1 1 15 15 THR CA C 15 64.332 64.332 61.513 2.819 18657 2250 1 7 . 1 1 15 15 THR CB C 15 69.532 69.532 70.035 -0.503 18657 2251 1 7 . 1 1 15 15 THR H H 15 7.313 7.313 7.471 -0.158 18657 2252 1 7 . 1 1 16 16 ALA N N 16 128.035 128.035 131.619 -3.584 18657 2253 1 7 . 1 1 16 16 ALA HA H 16 4.246 4.246 4.177 0.069 18657 2254 1 7 . 1 1 16 16 ALA C C 16 176.643 176.643 176.733 -0.090 18657 2255 1 7 . 1 1 16 16 ALA CA C 16 50.750 50.750 52.318 -1.568 18657 2256 1 7 . 1 1 16 16 ALA CB C 16 18.653 18.653 18.486 0.167 18657 2257 1 7 . 1 1 16 16 ALA H H 16 8.545 8.545 8.679 -0.134 18657 2258 1 7 . 1 1 17 17 LEU N N 17 125.094 125.094 125.675 -0.581 18657 2259 1 7 . 1 1 17 17 LEU HA H 17 4.505 4.505 4.243 0.262 18657 2260 1 7 . 1 1 17 17 LEU C C 17 178.848 178.848 176.861 1.987 18657 2261 1 7 . 1 1 17 17 LEU CA C 17 56.127 56.127 55.816 0.310 18657 2262 1 7 . 1 1 17 17 LEU CB C 17 42.573 42.573 42.549 0.024 18657 2263 1 7 . 1 1 17 17 LEU H H 17 9.114 9.114 8.274 0.840 18657 2264 1 7 . 1 1 18 18 THR N N 18 113.568 113.568 112.481 1.087 18657 2265 1 7 . 1 1 18 18 THR HA H 18 4.623 4.623 4.564 0.059 18657 2266 1 7 . 1 1 18 18 THR C C 18 175.028 175.028 175.123 -0.095 18657 2267 1 7 . 1 1 18 18 THR CA C 18 58.935 58.935 60.141 -1.206 18657 2268 1 7 . 1 1 18 18 THR CB C 18 71.185 71.185 70.925 0.260 18657 2269 1 7 . 1 1 18 18 THR H H 18 7.980 7.980 8.075 -0.095 18657 2270 1 7 . 1 1 19 19 LEU N N 19 121.118 121.118 121.528 -0.410 18657 2271 1 7 . 1 1 19 19 LEU HA H 19 3.817 3.817 4.300 -0.483 18657 2272 1 7 . 1 1 19 19 LEU C C 19 179.309 179.309 176.565 2.744 18657 2273 1 7 . 1 1 19 19 LEU CA C 19 58.710 58.710 56.617 2.093 18657 2274 1 7 . 1 1 19 19 LEU CB C 19 42.213 42.213 41.772 0.442 18657 2275 1 7 . 1 1 19 19 LEU H H 19 8.882 8.882 8.534 0.348 18657 2276 1 7 . 1 1 20 20 VAL N N 20 110.454 110.454 110.905 -0.451 18657 2277 1 7 . 1 1 20 20 VAL HA H 20 4.021 4.021 4.116 -0.095 18657 2278 1 7 . 1 1 20 20 VAL C C 20 176.778 176.778 175.699 1.079 18657 2279 1 7 . 1 1 20 20 VAL CA C 20 63.377 63.377 62.988 0.389 18657 2280 1 7 . 1 1 20 20 VAL CB C 20 31.558 31.558 31.719 -0.161 18657 2281 1 7 . 1 1 20 20 VAL H H 20 7.528 7.528 7.754 -0.226 18657 2282 1 7 . 1 1 21 21 MET N N 21 116.848 116.848 117.874 -1.026 18657 2283 1 7 . 1 1 21 21 MET HA H 21 3.940 3.940 4.594 -0.654 18657 2284 1 7 . 1 1 21 21 MET C C 21 175.514 175.514 175.181 0.333 18657 2285 1 7 . 1 1 21 21 MET CA C 21 57.965 57.965 55.685 2.280 18657 2286 1 7 . 1 1 21 21 MET CB C 21 32.889 32.889 34.725 -1.836 18657 2287 1 7 . 1 1 21 21 MET H H 21 7.518 7.518 7.919 -0.401 18657 2288 1 7 . 1 1 22 22 MET N N 22 116.986 116.986 117.372 -0.386 18657 2289 1 7 . 1 1 22 22 MET HA H 22 4.893 4.893 4.874 0.019 18657 2290 1 7 . 1 1 22 22 MET C C 22 173.981 173.981 174.839 -0.858 18657 2291 1 7 . 1 1 22 22 MET CA C 22 55.373 55.373 54.702 0.671 18657 2292 1 7 . 1 1 22 22 MET CB C 22 37.383 37.383 37.053 0.330 18657 2293 1 7 . 1 1 22 22 MET H H 22 7.709 7.709 7.376 0.333 18657 2294 1 7 . 1 1 23 23 THR N N 23 118.163 118.163 112.944 5.219 18657 2295 1 7 . 1 1 23 23 THR HA H 23 4.788 4.788 4.581 0.207 18657 2296 1 7 . 1 1 23 23 THR C C 23 172.307 172.307 172.463 -0.156 18657 2297 1 7 . 1 1 23 23 THR CA C 23 58.678 58.678 60.161 -1.483 18657 2298 1 7 . 1 1 23 23 THR CB C 23 69.836 69.836 70.480 -0.644 18657 2299 1 7 . 1 1 23 23 THR H H 23 9.041 9.041 8.316 0.725 18657 2300 1 7 . 1 1 24 24 THR N N 24 111.374 111.374 113.246 -1.872 18657 2301 1 7 . 1 1 24 24 THR HA H 24 5.691 5.691 5.053 0.638 18657 2302 1 7 . 1 1 24 24 THR C C 24 174.035 174.035 173.635 0.400 18657 2303 1 7 . 1 1 24 24 THR CA C 24 58.843 58.843 59.964 -1.121 18657 2304 1 7 . 1 1 24 24 THR CB C 24 71.456 71.456 71.041 0.415 18657 2305 1 7 . 1 1 24 24 THR H H 24 8.139 8.139 8.288 -0.149 18657 2306 1 7 . 1 1 25 25 ARG N N 25 119.402 119.402 123.143 -3.741 18657 2307 1 7 . 1 1 25 25 ARG HA H 25 4.575 4.575 4.428 0.147 18657 2308 1 7 . 1 1 25 25 ARG C C 25 174.979 174.979 173.709 1.270 18657 2309 1 7 . 1 1 25 25 ARG CA C 25 55.085 55.085 55.473 -0.388 18657 2310 1 7 . 1 1 25 25 ARG CB C 25 35.806 35.806 33.713 2.093 18657 2311 1 7 . 1 1 25 25 ARG H H 25 8.626 8.626 8.365 0.261 18657 2312 1 7 . 1 1 26 26 VAL N N 26 124.668 124.668 125.345 -0.677 18657 2313 1 7 . 1 1 26 26 VAL HA H 26 4.132 4.132 4.053 0.079 18657 2314 1 7 . 1 1 26 26 VAL C C 26 174.893 174.893 176.335 -1.442 18657 2315 1 7 . 1 1 26 26 VAL CA C 26 64.085 64.085 62.841 1.244 18657 2316 1 7 . 1 1 26 26 VAL CB C 26 30.450 30.450 29.934 0.516 18657 2317 1 7 . 1 1 26 26 VAL H H 26 9.050 9.050 8.418 0.632 18657 2318 1 7 . 1 1 27 27 VAL N N 27 123.136 123.136 122.186 0.950 18657 2319 1 7 . 1 1 27 27 VAL HA H 27 4.649 4.649 4.600 0.049 18657 2320 1 7 . 1 1 27 27 VAL C C 27 174.747 174.747 173.988 0.759 18657 2321 1 7 . 1 1 27 27 VAL CA C 27 59.232 59.232 59.403 -0.171 18657 2322 1 7 . 1 1 27 27 VAL CB C 27 36.205 36.205 34.670 1.535 18657 2323 1 7 . 1 1 27 27 VAL H H 27 8.266 8.266 7.776 0.490 18657 2324 1 7 . 1 1 28 28 SER N N 28 116.564 116.564 115.708 0.856 18657 2325 1 7 . 1 1 28 28 SER HA H 28 4.535 4.535 4.938 -0.403 18657 2326 1 7 . 1 1 28 28 SER CA C 28 54.880 54.880 55.384 -0.504 18657 2327 1 7 . 1 1 28 28 SER CB C 28 64.922 64.922 64.720 0.202 18657 2328 1 7 . 1 1 28 28 SER H H 28 8.302 8.302 8.376 -0.074 18657 2329 1 7 . 1 1 29 29 PRO HA H 29 4.774 4.774 4.691 0.083 18657 2330 1 7 . 1 1 29 29 PRO C C 29 176.324 176.324 176.061 0.263 18657 2331 1 7 . 1 1 29 29 PRO CA C 29 62.543 62.543 62.655 -0.112 18657 2332 1 7 . 1 1 29 29 PRO CB C 29 34.561 34.561 32.489 2.072 18657 2333 1 7 . 1 1 30 30 THR N N 30 113.418 113.418 111.552 1.866 18657 2334 1 7 . 1 1 30 30 THR HA H 30 3.830 3.830 4.333 -0.503 18657 2335 1 7 . 1 1 30 30 THR C C 30 174.556 174.556 174.394 0.162 18657 2336 1 7 . 1 1 30 30 THR CA C 30 62.846 62.846 62.137 0.709 18657 2337 1 7 . 1 1 30 30 THR CB C 30 69.384 69.384 69.862 -0.478 18657 2338 1 7 . 1 1 30 30 THR H H 30 8.492 8.492 8.116 0.376 18657 2339 1 7 . 1 1 31 31 GLY N N 31 109.224 109.224 109.896 -0.672 18657 2340 1 7 . 1 1 31 31 GLY C C 31 174.722 174.722 173.408 1.314 18657 2341 1 7 . 1 1 31 31 GLY CA C 31 44.844 44.844 43.878 0.966 18657 2342 1 7 . 1 1 31 31 GLY H H 31 8.054 8.054 8.093 -0.039 18657 2343 1 7 . 1 1 32 32 ILE N N 32 128.549 128.549 122.609 5.940 18657 2344 1 7 . 1 1 32 32 ILE HA H 32 3.959 3.959 4.030 -0.071 18657 2345 1 7 . 1 1 32 32 ILE CA C 32 61.251 61.251 62.158 -0.907 18657 2346 1 7 . 1 1 32 32 ILE CB C 32 39.665 39.665 37.594 2.071 18657 2347 1 7 . 1 1 32 32 ILE H H 32 8.820 8.820 8.270 0.550 18657 2348 1 7 . 1 1 33 33 PRO HA H 33 4.777 4.777 4.569 0.208 18657 2349 1 7 . 1 1 33 33 PRO C C 33 177.878 177.878 177.236 0.642 18657 2350 1 7 . 1 1 33 33 PRO CA C 33 63.110 63.110 62.450 0.660 18657 2351 1 7 . 1 1 33 33 PRO CB C 33 32.793 32.793 32.121 0.672 18657 2352 1 7 . 1 1 34 34 ALA N N 34 123.151 123.151 126.146 -2.995 18657 2353 1 7 . 1 1 34 34 ALA HA H 34 3.722 3.722 4.043 -0.321 18657 2354 1 7 . 1 1 34 34 ALA C C 34 179.547 179.547 179.452 0.095 18657 2355 1 7 . 1 1 34 34 ALA CA C 34 54.835 54.835 54.795 0.040 18657 2356 1 7 . 1 1 34 34 ALA CB C 34 19.974 19.974 18.547 1.427 18657 2357 1 7 . 1 1 34 34 ALA H H 34 7.973 7.973 8.539 -0.566 18657 2358 1 7 . 1 1 35 35 GLU N N 35 116.421 116.421 117.224 -0.803 18657 2359 1 7 . 1 1 35 35 GLU HA H 35 4.022 4.022 4.149 -0.127 18657 2360 1 7 . 1 1 35 35 GLU C C 35 176.479 176.479 176.304 0.175 18657 2361 1 7 . 1 1 35 35 GLU CA C 35 58.966 58.966 58.093 0.873 18657 2362 1 7 . 1 1 35 35 GLU CB C 35 28.642 28.642 29.147 -0.505 18657 2363 1 7 . 1 1 35 35 GLU H H 35 9.247 9.247 8.557 0.690 18657 2364 1 7 . 1 1 36 36 ASP N N 36 118.097 118.097 118.864 -0.767 18657 2365 1 7 . 1 1 36 36 ASP HA H 36 4.955 4.955 4.886 0.069 18657 2366 1 7 . 1 1 36 36 ASP C C 36 176.823 176.823 176.679 0.144 18657 2367 1 7 . 1 1 36 36 ASP CA C 36 54.568 54.568 53.855 0.713 18657 2368 1 7 . 1 1 36 36 ASP CB C 36 40.971 40.971 40.564 0.407 18657 2369 1 7 . 1 1 36 36 ASP H H 36 8.146 8.146 8.322 -0.176 18657 2370 1 7 . 1 1 37 37 ILE N N 37 121.429 121.429 122.696 -1.267 18657 2371 1 7 . 1 1 37 37 ILE HA H 37 3.636 3.636 3.945 -0.309 18657 2372 1 7 . 1 1 37 37 ILE CA C 37 68.859 68.859 67.546 1.312 18657 2373 1 7 . 1 1 37 37 ILE CB C 37 35.859 35.859 36.350 -0.491 18657 2374 1 7 . 1 1 37 37 ILE H H 37 7.520 7.520 7.694 -0.174 18657 2375 1 7 . 1 1 38 38 PRO HA H 38 4.183 4.183 4.398 -0.215 18657 2376 1 7 . 1 1 38 38 PRO C C 38 179.052 179.052 177.128 1.924 18657 2377 1 7 . 1 1 38 38 PRO CA C 38 65.906 65.906 64.716 1.190 18657 2378 1 7 . 1 1 38 38 PRO CB C 38 31.030 31.030 31.123 -0.093 18657 2379 1 7 . 1 1 39 39 ARG N N 39 115.064 115.064 116.789 -1.725 18657 2380 1 7 . 1 1 39 39 ARG HA H 39 4.237 4.237 4.318 -0.081 18657 2381 1 7 . 1 1 39 39 ARG C C 39 176.002 176.002 177.883 -1.881 18657 2382 1 7 . 1 1 39 39 ARG CA C 39 57.362 57.362 58.242 -0.880 18657 2383 1 7 . 1 1 39 39 ARG CB C 39 30.510 30.510 31.165 -0.655 18657 2384 1 7 . 1 1 39 39 ARG H H 39 7.367 7.367 7.973 -0.606 18657 2385 1 7 . 1 1 40 40 LEU N N 40 118.158 118.158 118.213 -0.055 18657 2386 1 7 . 1 1 40 40 LEU HA H 40 4.080 4.080 4.386 -0.306 18657 2387 1 7 . 1 1 40 40 LEU C C 40 177.804 177.804 177.170 0.634 18657 2388 1 7 . 1 1 40 40 LEU CA C 40 55.770 55.770 55.278 0.492 18657 2389 1 7 . 1 1 40 40 LEU CB C 40 42.782 42.782 41.827 0.956 18657 2390 1 7 . 1 1 40 40 LEU H H 40 7.782 7.782 8.328 -0.546 18657 2391 1 7 . 1 1 41 41 ILE N N 41 115.608 115.608 119.149 -3.541 18657 2392 1 7 . 1 1 41 41 ILE HA H 41 3.345 3.345 3.741 -0.396 18657 2393 1 7 . 1 1 41 41 ILE C C 41 178.078 178.078 176.100 1.978 18657 2394 1 7 . 1 1 41 41 ILE CA C 41 62.606 62.606 63.414 -0.808 18657 2395 1 7 . 1 1 41 41 ILE CB C 41 36.606 36.606 36.795 -0.189 18657 2396 1 7 . 1 1 41 41 ILE H H 41 6.799 6.799 7.582 -0.783 18657 2397 1 7 . 1 1 42 42 SER N N 42 121.395 121.395 116.156 5.239 18657 2398 1 7 . 1 1 42 42 SER HA H 42 3.991 3.991 4.131 -0.140 18657 2399 1 7 . 1 1 42 42 SER C C 42 173.816 173.816 173.641 0.175 18657 2400 1 7 . 1 1 42 42 SER CA C 42 62.348 62.348 60.727 1.621 18657 2401 1 7 . 1 1 42 42 SER CB C 42 62.947 62.947 62.671 0.276 18657 2402 1 7 . 1 1 42 42 SER H H 42 9.328 9.328 9.098 0.230 18657 2403 1 7 . 1 1 43 43 MET N N 43 123.672 123.672 121.370 2.302 18657 2404 1 7 . 1 1 43 43 MET HA H 43 4.449 4.449 4.602 -0.153 18657 2405 1 7 . 1 1 43 43 MET C C 43 175.128 175.128 175.943 -0.815 18657 2406 1 7 . 1 1 43 43 MET CA C 43 57.119 57.119 55.066 2.053 18657 2407 1 7 . 1 1 43 43 MET CB C 43 32.831 32.831 33.219 -0.388 18657 2408 1 7 . 1 1 43 43 MET H H 43 8.806 8.806 8.078 0.728 18657 2409 1 7 . 1 1 44 44 GLN N N 44 118.463 118.463 123.254 -4.791 18657 2410 1 7 . 1 1 44 44 GLN HA H 44 5.256 5.256 4.637 0.619 18657 2411 1 7 . 1 1 44 44 GLN C C 44 177.035 177.035 175.726 1.309 18657 2412 1 7 . 1 1 44 44 GLN CA C 44 54.304 54.304 55.937 -1.633 18657 2413 1 7 . 1 1 44 44 GLN CB C 44 32.083 32.083 29.748 2.335 18657 2414 1 7 . 1 1 44 44 GLN H H 44 8.947 8.947 8.740 0.207 18657 2415 1 7 . 1 1 45 45 VAL N N 45 111.238 111.238 113.253 -2.015 18657 2416 1 7 . 1 1 45 45 VAL HA H 45 5.297 5.297 4.600 0.697 18657 2417 1 7 . 1 1 45 45 VAL C C 45 177.962 177.962 175.535 2.427 18657 2418 1 7 . 1 1 45 45 VAL CA C 45 59.950 59.950 58.892 1.058 18657 2419 1 7 . 1 1 45 45 VAL CB C 45 33.437 33.437 34.496 -1.060 18657 2420 1 7 . 1 1 45 45 VAL H H 45 7.564 7.564 7.962 -0.398 18657 2421 1 7 . 1 1 46 46 ASN N N 46 118.782 118.782 119.525 -0.743 18657 2422 1 7 . 1 1 46 46 ASN HA H 46 4.716 4.716 4.807 -0.091 18657 2423 1 7 . 1 1 46 46 ASN C C 46 174.812 174.812 174.974 -0.162 18657 2424 1 7 . 1 1 46 46 ASN CA C 46 51.680 51.680 52.143 -0.463 18657 2425 1 7 . 1 1 46 46 ASN CB C 46 39.469 39.469 39.316 0.153 18657 2426 1 7 . 1 1 46 46 ASN H H 46 8.556 8.556 8.198 0.358 18657 2427 1 7 . 1 1 47 47 GLN N N 47 112.810 112.810 117.003 -4.193 18657 2428 1 7 . 1 1 47 47 GLN HA H 47 4.549 4.549 4.266 0.283 18657 2429 1 7 . 1 1 47 47 GLN C C 47 172.365 172.365 173.908 -1.543 18657 2430 1 7 . 1 1 47 47 GLN CA C 47 53.013 53.013 55.041 -2.028 18657 2431 1 7 . 1 1 47 47 GLN CB C 47 32.841 32.841 32.086 0.755 18657 2432 1 7 . 1 1 47 47 GLN H H 47 7.663 7.663 7.652 0.011 18657 2433 1 7 . 1 1 48 48 VAL N N 48 118.841 118.841 124.244 -5.403 18657 2434 1 7 . 1 1 48 48 VAL HA H 48 4.184 4.184 4.049 0.135 18657 2435 1 7 . 1 1 48 48 VAL C C 48 176.865 176.865 175.623 1.242 18657 2436 1 7 . 1 1 48 48 VAL CA C 48 62.932 62.932 63.895 -0.963 18657 2437 1 7 . 1 1 48 48 VAL CB C 48 31.788 31.788 31.558 0.230 18657 2438 1 7 . 1 1 48 48 VAL H H 48 8.407 8.407 8.488 -0.081 18657 2439 1 7 . 1 1 49 49 VAL N N 49 130.600 130.600 128.995 1.605 18657 2440 1 7 . 1 1 49 49 VAL HA H 49 4.547 4.547 4.530 0.017 18657 2441 1 7 . 1 1 49 49 VAL CA C 49 59.419 59.419 59.158 0.261 18657 2442 1 7 . 1 1 49 49 VAL CB C 49 33.236 33.236 33.401 -0.165 18657 2443 1 7 . 1 1 49 49 VAL H H 49 9.165 9.165 9.080 0.085 18657 2444 1 7 . 1 1 50 50 PRO HA H 50 4.227 4.227 4.468 -0.241 18657 2445 1 7 . 1 1 50 50 PRO C C 50 176.512 176.512 176.113 0.399 18657 2446 1 7 . 1 1 50 50 PRO CA C 50 62.220 62.220 61.638 0.582 18657 2447 1 7 . 1 1 50 50 PRO CB C 50 32.282 32.282 32.524 -0.242 18657 2448 1 7 . 1 1 51 51 MET N N 51 123.146 123.146 118.497 4.649 18657 2449 1 7 . 1 1 51 51 MET HA H 51 3.322 3.322 4.120 -0.798 18657 2450 1 7 . 1 1 51 51 MET C C 51 176.953 176.953 177.771 -0.818 18657 2451 1 7 . 1 1 51 51 MET CA C 51 58.534 58.534 57.413 1.121 18657 2452 1 7 . 1 1 51 51 MET CB C 51 32.593 32.593 33.198 -0.605 18657 2453 1 7 . 1 1 51 51 MET H H 51 8.598 8.598 8.245 0.353 18657 2454 1 7 . 1 1 52 52 GLY N N 52 114.707 114.707 113.780 0.927 18657 2455 1 7 . 1 1 52 52 GLY C C 52 173.693 173.693 174.445 -0.752 18657 2456 1 7 . 1 1 52 52 GLY CA C 52 45.046 45.046 45.745 -0.699 18657 2457 1 7 . 1 1 52 52 GLY H H 52 8.852 8.852 9.065 -0.213 18657 2458 1 7 . 1 1 53 53 THR N N 53 119.372 119.372 119.989 -0.617 18657 2459 1 7 . 1 1 53 53 THR HA H 53 4.143 4.143 4.309 -0.166 18657 2460 1 7 . 1 1 53 53 THR C C 53 173.482 173.482 174.693 -1.211 18657 2461 1 7 . 1 1 53 53 THR CA C 53 63.363 63.363 63.065 0.298 18657 2462 1 7 . 1 1 53 53 THR CB C 53 69.448 69.448 68.840 0.608 18657 2463 1 7 . 1 1 53 53 THR H H 53 7.706 7.706 7.572 0.134 18657 2464 1 7 . 1 1 54 54 THR N N 54 125.168 125.168 123.565 1.603 18657 2465 1 7 . 1 1 54 54 THR HA H 54 4.137 4.137 3.979 0.158 18657 2466 1 7 . 1 1 54 54 THR C C 54 173.018 173.018 173.810 -0.792 18657 2467 1 7 . 1 1 54 54 THR CA C 54 63.314 63.314 64.206 -0.892 18657 2468 1 7 . 1 1 54 54 THR CB C 54 68.846 68.846 69.442 -0.596 18657 2469 1 7 . 1 1 54 54 THR H H 54 8.914 8.914 8.655 0.259 18657 2470 1 7 . 1 1 55 55 LEU N N 55 131.166 131.166 126.841 4.325 18657 2471 1 7 . 1 1 55 55 LEU HA H 55 4.298 4.298 4.516 -0.218 18657 2472 1 7 . 1 1 55 55 LEU C C 55 174.234 174.234 175.368 -1.134 18657 2473 1 7 . 1 1 55 55 LEU CA C 55 55.132 55.132 53.693 1.439 18657 2474 1 7 . 1 1 55 55 LEU CB C 55 42.317 42.317 42.284 0.033 18657 2475 1 7 . 1 1 55 55 LEU H H 55 9.006 9.006 8.809 0.197 18657 2476 1 7 . 1 1 56 56 MET N N 56 126.627 126.627 124.311 2.316 18657 2477 1 7 . 1 1 56 56 MET HA H 56 5.043 5.043 4.846 0.197 18657 2478 1 7 . 1 1 56 56 MET CA C 56 51.058 51.058 52.320 -1.262 18657 2479 1 7 . 1 1 56 56 MET CB C 56 31.593 31.593 32.526 -0.933 18657 2480 1 7 . 1 1 56 56 MET H H 56 8.028 8.028 8.696 -0.668 18657 2481 1 7 . 1 1 57 57 PRO HA H 57 3.695 3.695 3.466 0.229 18657 2482 1 7 . 1 1 57 57 PRO C C 57 176.780 176.780 176.216 0.564 18657 2483 1 7 . 1 1 57 57 PRO CA C 57 66.142 66.142 64.219 1.923 18657 2484 1 7 . 1 1 57 57 PRO CB C 57 32.795 32.795 31.255 1.540 18657 2485 1 7 . 1 1 58 58 ASP N N 58 110.360 110.360 113.939 -3.579 18657 2486 1 7 . 1 1 58 58 ASP HA H 58 4.436 4.436 4.606 -0.170 18657 2487 1 7 . 1 1 58 58 ASP C C 58 176.945 176.945 175.924 1.021 18657 2488 1 7 . 1 1 58 58 ASP CA C 58 54.660 54.660 54.498 0.162 18657 2489 1 7 . 1 1 58 58 ASP CB C 58 39.716 39.716 40.196 -0.480 18657 2490 1 7 . 1 1 58 58 ASP H H 58 8.036 8.036 8.578 -0.542 18657 2491 1 7 . 1 1 59 59 MET N N 59 116.951 116.951 118.442 -1.491 18657 2492 1 7 . 1 1 59 59 MET HA H 59 4.642 4.642 4.831 -0.189 18657 2493 1 7 . 1 1 59 59 MET C C 59 174.817 174.817 174.551 0.266 18657 2494 1 7 . 1 1 59 59 MET CA C 59 56.757 56.757 55.412 1.345 18657 2495 1 7 . 1 1 59 59 MET CB C 59 33.587 33.587 34.349 -0.762 18657 2496 1 7 . 1 1 59 59 MET H H 59 8.066 8.066 7.336 0.730 18657 2497 1 7 . 1 1 60 60 VAL N N 60 117.470 117.470 120.252 -2.782 18657 2498 1 7 . 1 1 60 60 VAL HA H 60 4.351 4.351 4.502 -0.151 18657 2499 1 7 . 1 1 60 60 VAL C C 60 176.067 176.067 175.213 0.854 18657 2500 1 7 . 1 1 60 60 VAL CA C 60 61.229 61.229 59.719 1.510 18657 2501 1 7 . 1 1 60 60 VAL CB C 60 33.146 33.146 33.913 -0.767 18657 2502 1 7 . 1 1 60 60 VAL H H 60 7.109 7.109 7.247 -0.138 18657 2503 1 7 . 1 1 61 61 LYS N N 61 128.839 128.839 128.606 0.233 18657 2504 1 7 . 1 1 61 61 LYS HA H 61 4.122 4.122 4.333 -0.211 18657 2505 1 7 . 1 1 61 61 LYS C C 61 177.652 177.652 177.039 0.613 18657 2506 1 7 . 1 1 61 61 LYS CA C 61 58.146 58.146 56.736 1.410 18657 2507 1 7 . 1 1 61 61 LYS CB C 61 32.336 32.336 33.325 -0.989 18657 2508 1 7 . 1 1 61 61 LYS H H 61 9.069 9.069 8.354 0.715 18657 2509 1 7 . 1 1 62 62 GLY N N 62 113.363 113.363 111.226 2.137 18657 2510 1 7 . 1 1 62 62 GLY C C 62 174.621 174.621 174.433 0.188 18657 2511 1 7 . 1 1 62 62 GLY CA C 62 45.506 45.506 45.580 -0.074 18657 2512 1 7 . 1 1 62 62 GLY H H 62 9.094 9.094 8.678 0.416 18657 2513 1 7 . 1 1 63 63 TYR N N 63 120.959 120.959 119.507 1.452 18657 2514 1 7 . 1 1 63 63 TYR HA H 63 3.971 3.971 4.536 -0.565 18657 2515 1 7 . 1 1 63 63 TYR C C 63 174.228 174.228 174.647 -0.419 18657 2516 1 7 . 1 1 63 63 TYR CA C 63 60.374 60.374 58.069 2.305 18657 2517 1 7 . 1 1 63 63 TYR CB C 63 39.040 39.040 39.978 -0.938 18657 2518 1 7 . 1 1 63 63 TYR H H 63 7.564 7.564 7.410 0.154 18657 2519 1 7 . 1 1 64 64 ALA N N 64 129.533 129.533 122.824 6.709 18657 2520 1 7 . 1 1 64 64 ALA HA H 64 4.425 4.425 4.489 -0.064 18657 2521 1 7 . 1 1 64 64 ALA CA C 64 49.480 49.480 50.840 -1.360 18657 2522 1 7 . 1 1 64 64 ALA CB C 64 19.620 19.620 18.981 0.639 18657 2523 1 7 . 1 1 64 64 ALA H H 64 7.546 7.546 6.680 0.866 18657 2524 1 7 . 1 1 65 65 PRO HA H 65 4.250 4.250 4.452 -0.202 18657 2525 1 7 . 1 1 65 65 PRO C C 65 175.380 175.380 176.222 -0.842 18657 2526 1 7 . 1 1 65 65 PRO CA C 65 62.712 62.712 62.498 0.214 18657 2527 1 7 . 1 1 65 65 PRO CB C 65 32.210 32.210 32.417 -0.207 18657 2528 1 8 . 1 1 1 1 ASN HA H 1 4.703 4.703 4.845 -0.142 18657 2529 1 8 . 1 1 1 1 ASN C C 1 174.258 174.258 173.320 0.938 18657 2530 1 8 . 1 1 1 1 ASN CA C 1 53.192 53.192 52.831 0.361 18657 2531 1 8 . 1 1 1 1 ASN CB C 1 38.954 38.954 40.895 -1.941 18657 2532 1 8 . 1 1 2 2 GLN N N 2 120.041 120.041 123.051 -3.010 18657 2533 1 8 . 1 1 2 2 GLN HA H 2 4.323 4.323 4.298 0.025 18657 2534 1 8 . 1 1 2 2 GLN C C 2 176.004 176.004 175.262 0.742 18657 2535 1 8 . 1 1 2 2 GLN CA C 2 55.835 55.835 55.617 0.217 18657 2536 1 8 . 1 1 2 2 GLN CB C 2 29.640 29.640 29.084 0.556 18657 2537 1 8 . 1 1 2 2 GLN H H 2 8.597 8.597 8.577 0.020 18657 2538 1 8 . 1 1 3 3 GLU N N 3 124.166 124.166 127.082 -2.916 18657 2539 1 8 . 1 1 3 3 GLU HA H 3 4.294 4.294 4.447 -0.153 18657 2540 1 8 . 1 1 3 3 GLU C C 3 177.305 177.305 175.060 2.245 18657 2541 1 8 . 1 1 3 3 GLU CA C 3 56.597 56.597 55.608 0.989 18657 2542 1 8 . 1 1 3 3 GLU CB C 3 32.196 32.196 31.430 0.766 18657 2543 1 8 . 1 1 3 3 GLU H H 3 9.025 9.025 8.713 0.312 18657 2544 1 8 . 1 1 4 4 SER N N 4 118.222 118.222 120.165 -1.943 18657 2545 1 8 . 1 1 4 4 SER HA H 4 5.412 5.412 5.045 0.367 18657 2546 1 8 . 1 1 4 4 SER C C 4 171.713 171.713 174.184 -2.471 18657 2547 1 8 . 1 1 4 4 SER CA C 4 57.271 57.271 57.867 -0.596 18657 2548 1 8 . 1 1 4 4 SER CB C 4 66.319 66.319 65.078 1.241 18657 2549 1 8 . 1 1 4 4 SER H H 4 8.925 8.925 8.383 0.542 18657 2550 1 8 . 1 1 5 5 VAL N N 5 122.304 122.304 124.039 -1.735 18657 2551 1 8 . 1 1 5 5 VAL HA H 5 4.156 4.156 4.436 -0.280 18657 2552 1 8 . 1 1 5 5 VAL C C 5 174.325 174.325 175.602 -1.277 18657 2553 1 8 . 1 1 5 5 VAL CA C 5 63.408 63.408 63.829 -0.421 18657 2554 1 8 . 1 1 5 5 VAL CB C 5 31.916 31.916 31.519 0.397 18657 2555 1 8 . 1 1 5 5 VAL H H 5 8.506 8.506 8.852 -0.346 18657 2556 1 8 . 1 1 6 6 VAL N N 6 126.068 126.068 125.789 0.279 18657 2557 1 8 . 1 1 6 6 VAL HA H 6 4.512 4.512 4.300 0.212 18657 2558 1 8 . 1 1 6 6 VAL C C 6 174.958 174.958 174.893 0.065 18657 2559 1 8 . 1 1 6 6 VAL CA C 6 59.365 59.365 60.129 -0.764 18657 2560 1 8 . 1 1 6 6 VAL CB C 6 36.189 36.189 34.594 1.595 18657 2561 1 8 . 1 1 6 6 VAL H H 6 8.637 8.637 8.456 0.181 18657 2562 1 8 . 1 1 7 7 ALA N N 7 126.887 126.887 129.243 -2.356 18657 2563 1 8 . 1 1 7 7 ALA HA H 7 4.441 4.441 4.123 0.318 18657 2564 1 8 . 1 1 7 7 ALA C C 7 178.642 178.642 177.843 0.799 18657 2565 1 8 . 1 1 7 7 ALA CA C 7 53.079 53.079 52.684 0.395 18657 2566 1 8 . 1 1 7 7 ALA CB C 7 19.055 19.055 18.587 0.468 18657 2567 1 8 . 1 1 7 7 ALA H H 7 8.318 8.318 8.124 0.194 18657 2568 1 8 . 1 1 8 8 ALA N N 8 129.962 129.962 127.687 2.275 18657 2569 1 8 . 1 1 8 8 ALA HA H 8 4.162 4.162 4.119 0.043 18657 2570 1 8 . 1 1 8 8 ALA C C 8 174.975 174.975 177.059 -2.084 18657 2571 1 8 . 1 1 8 8 ALA CA C 8 52.229 52.229 53.901 -1.673 18657 2572 1 8 . 1 1 8 8 ALA CB C 8 19.350 19.350 19.267 0.083 18657 2573 1 8 . 1 1 8 8 ALA H H 8 9.248 9.248 8.233 1.015 18657 2574 1 8 . 1 1 9 9 GLN N N 9 111.285 111.285 112.497 -1.212 18657 2575 1 8 . 1 1 9 9 GLN HA H 9 4.510 4.510 4.420 0.090 18657 2576 1 8 . 1 1 9 9 GLN C C 9 172.373 172.373 174.260 -1.887 18657 2577 1 8 . 1 1 9 9 GLN CA C 9 52.613 52.613 53.369 -0.756 18657 2578 1 8 . 1 1 9 9 GLN CB C 9 32.673 32.673 30.799 1.874 18657 2579 1 8 . 1 1 9 9 GLN H H 9 7.709 7.709 7.545 0.164 18657 2580 1 8 . 1 1 10 10 LEU N N 10 120.553 120.553 122.323 -1.770 18657 2581 1 8 . 1 1 10 10 LEU HA H 10 4.541 4.541 4.268 0.273 18657 2582 1 8 . 1 1 10 10 LEU C C 10 177.120 177.120 175.561 1.559 18657 2583 1 8 . 1 1 10 10 LEU CA C 10 56.329 56.329 56.140 0.189 18657 2584 1 8 . 1 1 10 10 LEU CB C 10 41.176 41.176 42.113 -0.937 18657 2585 1 8 . 1 1 10 10 LEU H H 10 8.501 8.501 8.509 -0.008 18657 2586 1 8 . 1 1 11 11 ILE N N 11 132.775 132.775 128.565 4.210 18657 2587 1 8 . 1 1 11 11 ILE HA H 11 4.604 4.604 4.602 0.002 18657 2588 1 8 . 1 1 11 11 ILE CA C 11 59.247 59.247 57.783 1.464 18657 2589 1 8 . 1 1 11 11 ILE CB C 11 39.630 39.630 40.363 -0.733 18657 2590 1 8 . 1 1 11 11 ILE H H 11 9.329 9.329 8.925 0.404 18657 2591 1 8 . 1 1 12 12 PRO HA H 12 4.392 4.392 4.521 -0.129 18657 2592 1 8 . 1 1 12 12 PRO C C 12 176.644 176.644 176.415 0.229 18657 2593 1 8 . 1 1 12 12 PRO CA C 12 61.904 61.904 61.356 0.548 18657 2594 1 8 . 1 1 12 12 PRO CB C 12 32.576 32.576 32.373 0.202 18657 2595 1 8 . 1 1 13 13 ILE N N 13 121.774 121.774 119.875 1.899 18657 2596 1 8 . 1 1 13 13 ILE HA H 13 3.380 3.380 3.642 -0.262 18657 2597 1 8 . 1 1 13 13 ILE C C 13 173.621 173.621 175.839 -2.218 18657 2598 1 8 . 1 1 13 13 ILE CA C 13 63.705 63.705 62.588 1.117 18657 2599 1 8 . 1 1 13 13 ILE CB C 13 38.836 38.836 38.568 0.268 18657 2600 1 8 . 1 1 13 13 ILE H H 13 7.938 7.938 8.135 -0.197 18657 2601 1 8 . 1 1 14 14 ASN N N 14 117.013 117.013 121.916 -4.903 18657 2602 1 8 . 1 1 14 14 ASN HA H 14 4.565 4.565 4.482 0.083 18657 2603 1 8 . 1 1 14 14 ASN C C 14 173.943 173.943 173.891 0.052 18657 2604 1 8 . 1 1 14 14 ASN CA C 14 55.344 55.344 54.718 0.626 18657 2605 1 8 . 1 1 14 14 ASN CB C 14 37.014 37.014 36.359 0.654 18657 2606 1 8 . 1 1 14 14 ASN H H 14 7.240 7.240 8.800 -1.560 18657 2607 1 8 . 1 1 15 15 THR N N 15 116.580 116.580 115.949 0.631 18657 2608 1 8 . 1 1 15 15 THR HA H 15 3.966 3.966 4.444 -0.478 18657 2609 1 8 . 1 1 15 15 THR C C 15 172.956 172.956 173.763 -0.807 18657 2610 1 8 . 1 1 15 15 THR CA C 15 64.332 64.332 61.061 3.271 18657 2611 1 8 . 1 1 15 15 THR CB C 15 69.532 69.532 69.622 -0.090 18657 2612 1 8 . 1 1 15 15 THR H H 15 7.313 7.313 7.496 -0.183 18657 2613 1 8 . 1 1 16 16 ALA N N 16 128.035 128.035 130.989 -2.954 18657 2614 1 8 . 1 1 16 16 ALA HA H 16 4.246 4.246 4.132 0.114 18657 2615 1 8 . 1 1 16 16 ALA C C 16 176.643 176.643 177.147 -0.504 18657 2616 1 8 . 1 1 16 16 ALA CA C 16 50.750 50.750 52.201 -1.451 18657 2617 1 8 . 1 1 16 16 ALA CB C 16 18.653 18.653 18.481 0.172 18657 2618 1 8 . 1 1 16 16 ALA H H 16 8.545 8.545 8.683 -0.138 18657 2619 1 8 . 1 1 17 17 LEU N N 17 125.094 125.094 126.448 -1.354 18657 2620 1 8 . 1 1 17 17 LEU HA H 17 4.505 4.505 4.284 0.221 18657 2621 1 8 . 1 1 17 17 LEU C C 17 178.848 178.848 177.095 1.753 18657 2622 1 8 . 1 1 17 17 LEU CA C 17 56.127 56.127 55.639 0.488 18657 2623 1 8 . 1 1 17 17 LEU CB C 17 42.573 42.573 42.689 -0.116 18657 2624 1 8 . 1 1 17 17 LEU H H 17 9.114 9.114 8.357 0.757 18657 2625 1 8 . 1 1 18 18 THR N N 18 113.568 113.568 112.789 0.779 18657 2626 1 8 . 1 1 18 18 THR HA H 18 4.623 4.623 4.435 0.188 18657 2627 1 8 . 1 1 18 18 THR C C 18 175.028 175.028 174.585 0.443 18657 2628 1 8 . 1 1 18 18 THR CA C 18 58.935 58.935 60.581 -1.646 18657 2629 1 8 . 1 1 18 18 THR CB C 18 71.185 71.185 71.267 -0.082 18657 2630 1 8 . 1 1 18 18 THR H H 18 7.980 7.980 7.957 0.023 18657 2631 1 8 . 1 1 19 19 LEU N N 19 121.118 121.118 121.184 -0.066 18657 2632 1 8 . 1 1 19 19 LEU HA H 19 3.817 3.817 4.325 -0.508 18657 2633 1 8 . 1 1 19 19 LEU C C 19 179.309 179.309 176.556 2.753 18657 2634 1 8 . 1 1 19 19 LEU CA C 19 58.710 58.710 56.504 2.207 18657 2635 1 8 . 1 1 19 19 LEU CB C 19 42.213 42.213 41.990 0.223 18657 2636 1 8 . 1 1 19 19 LEU H H 19 8.882 8.882 8.536 0.346 18657 2637 1 8 . 1 1 20 20 VAL N N 20 110.454 110.454 110.230 0.224 18657 2638 1 8 . 1 1 20 20 VAL HA H 20 4.021 4.021 4.147 -0.126 18657 2639 1 8 . 1 1 20 20 VAL C C 20 176.778 176.778 175.869 0.909 18657 2640 1 8 . 1 1 20 20 VAL CA C 20 63.377 63.377 62.990 0.386 18657 2641 1 8 . 1 1 20 20 VAL CB C 20 31.558 31.558 31.945 -0.387 18657 2642 1 8 . 1 1 20 20 VAL H H 20 7.528 7.528 7.623 -0.095 18657 2643 1 8 . 1 1 21 21 MET N N 21 116.848 116.848 117.977 -1.129 18657 2644 1 8 . 1 1 21 21 MET HA H 21 3.940 3.940 4.579 -0.639 18657 2645 1 8 . 1 1 21 21 MET C C 21 175.514 175.514 175.199 0.315 18657 2646 1 8 . 1 1 21 21 MET CA C 21 57.965 57.965 55.627 2.338 18657 2647 1 8 . 1 1 21 21 MET CB C 21 32.889 32.889 34.627 -1.738 18657 2648 1 8 . 1 1 21 21 MET H H 21 7.518 7.518 8.050 -0.532 18657 2649 1 8 . 1 1 22 22 MET N N 22 116.986 116.986 117.354 -0.368 18657 2650 1 8 . 1 1 22 22 MET HA H 22 4.893 4.893 4.833 0.060 18657 2651 1 8 . 1 1 22 22 MET C C 22 173.981 173.981 174.829 -0.848 18657 2652 1 8 . 1 1 22 22 MET CA C 22 55.373 55.373 54.679 0.694 18657 2653 1 8 . 1 1 22 22 MET CB C 22 37.383 37.383 37.016 0.367 18657 2654 1 8 . 1 1 22 22 MET H H 22 7.709 7.709 7.376 0.333 18657 2655 1 8 . 1 1 23 23 THR N N 23 118.163 118.163 112.913 5.250 18657 2656 1 8 . 1 1 23 23 THR HA H 23 4.788 4.788 4.640 0.148 18657 2657 1 8 . 1 1 23 23 THR C C 23 172.307 172.307 172.621 -0.314 18657 2658 1 8 . 1 1 23 23 THR CA C 23 58.678 58.678 60.257 -1.579 18657 2659 1 8 . 1 1 23 23 THR CB C 23 69.836 69.836 70.691 -0.855 18657 2660 1 8 . 1 1 23 23 THR H H 23 9.041 9.041 8.113 0.928 18657 2661 1 8 . 1 1 24 24 THR N N 24 111.374 111.374 112.511 -1.137 18657 2662 1 8 . 1 1 24 24 THR HA H 24 5.691 5.691 4.970 0.721 18657 2663 1 8 . 1 1 24 24 THR C C 24 174.035 174.035 173.681 0.354 18657 2664 1 8 . 1 1 24 24 THR CA C 24 58.843 58.843 59.955 -1.112 18657 2665 1 8 . 1 1 24 24 THR CB C 24 71.456 71.456 71.423 0.033 18657 2666 1 8 . 1 1 24 24 THR H H 24 8.139 8.139 8.292 -0.153 18657 2667 1 8 . 1 1 25 25 ARG N N 25 119.402 119.402 123.833 -4.431 18657 2668 1 8 . 1 1 25 25 ARG HA H 25 4.575 4.575 4.433 0.142 18657 2669 1 8 . 1 1 25 25 ARG C C 25 174.979 174.979 174.010 0.969 18657 2670 1 8 . 1 1 25 25 ARG CA C 25 55.085 55.085 56.332 -1.247 18657 2671 1 8 . 1 1 25 25 ARG CB C 25 35.806 35.806 32.886 2.920 18657 2672 1 8 . 1 1 25 25 ARG H H 25 8.626 8.626 8.531 0.095 18657 2673 1 8 . 1 1 26 26 VAL N N 26 124.668 124.668 126.767 -2.099 18657 2674 1 8 . 1 1 26 26 VAL HA H 26 4.132 4.132 4.045 0.087 18657 2675 1 8 . 1 1 26 26 VAL C C 26 174.893 174.893 175.082 -0.189 18657 2676 1 8 . 1 1 26 26 VAL CA C 26 64.085 64.085 63.641 0.445 18657 2677 1 8 . 1 1 26 26 VAL CB C 26 30.450 30.450 31.637 -1.187 18657 2678 1 8 . 1 1 26 26 VAL H H 26 9.050 9.050 8.438 0.612 18657 2679 1 8 . 1 1 27 27 VAL N N 27 123.136 123.136 121.817 1.319 18657 2680 1 8 . 1 1 27 27 VAL HA H 27 4.649 4.649 4.521 0.128 18657 2681 1 8 . 1 1 27 27 VAL C C 27 174.747 174.747 173.934 0.813 18657 2682 1 8 . 1 1 27 27 VAL CA C 27 59.232 59.232 59.208 0.024 18657 2683 1 8 . 1 1 27 27 VAL CB C 27 36.205 36.205 34.962 1.243 18657 2684 1 8 . 1 1 27 27 VAL H H 27 8.266 8.266 7.798 0.468 18657 2685 1 8 . 1 1 28 28 SER N N 28 116.564 116.564 115.633 0.931 18657 2686 1 8 . 1 1 28 28 SER HA H 28 4.535 4.535 4.977 -0.442 18657 2687 1 8 . 1 1 28 28 SER CA C 28 54.880 54.880 55.311 -0.431 18657 2688 1 8 . 1 1 28 28 SER CB C 28 64.922 64.922 64.523 0.399 18657 2689 1 8 . 1 1 28 28 SER H H 28 8.302 8.302 8.383 -0.081 18657 2690 1 8 . 1 1 29 29 PRO HA H 29 4.774 4.774 4.635 0.139 18657 2691 1 8 . 1 1 29 29 PRO C C 29 176.324 176.324 176.076 0.248 18657 2692 1 8 . 1 1 29 29 PRO CA C 29 62.543 62.543 62.547 -0.004 18657 2693 1 8 . 1 1 29 29 PRO CB C 29 34.561 34.561 32.319 2.242 18657 2694 1 8 . 1 1 30 30 THR N N 30 113.418 113.418 112.715 0.703 18657 2695 1 8 . 1 1 30 30 THR HA H 30 3.830 3.830 4.387 -0.557 18657 2696 1 8 . 1 1 30 30 THR C C 30 174.556 174.556 174.071 0.485 18657 2697 1 8 . 1 1 30 30 THR CA C 30 62.846 62.846 61.924 0.922 18657 2698 1 8 . 1 1 30 30 THR CB C 30 69.384 69.384 69.592 -0.208 18657 2699 1 8 . 1 1 30 30 THR H H 30 8.492 8.492 8.237 0.255 18657 2700 1 8 . 1 1 31 31 GLY N N 31 109.224 109.224 109.155 0.069 18657 2701 1 8 . 1 1 31 31 GLY C C 31 174.722 174.722 173.396 1.326 18657 2702 1 8 . 1 1 31 31 GLY CA C 31 44.844 44.844 43.433 1.411 18657 2703 1 8 . 1 1 31 31 GLY H H 31 8.054 8.054 8.051 0.003 18657 2704 1 8 . 1 1 32 32 ILE N N 32 128.549 128.549 122.565 5.984 18657 2705 1 8 . 1 1 32 32 ILE HA H 32 3.959 3.959 3.990 -0.031 18657 2706 1 8 . 1 1 32 32 ILE CA C 32 61.251 61.251 62.101 -0.850 18657 2707 1 8 . 1 1 32 32 ILE CB C 32 39.665 39.665 37.578 2.087 18657 2708 1 8 . 1 1 32 32 ILE H H 32 8.820 8.820 8.073 0.747 18657 2709 1 8 . 1 1 33 33 PRO HA H 33 4.777 4.777 4.595 0.182 18657 2710 1 8 . 1 1 33 33 PRO C C 33 177.878 177.878 177.292 0.586 18657 2711 1 8 . 1 1 33 33 PRO CA C 33 63.110 63.110 62.409 0.701 18657 2712 1 8 . 1 1 33 33 PRO CB C 33 32.793 32.793 32.176 0.617 18657 2713 1 8 . 1 1 34 34 ALA N N 34 123.151 123.151 125.885 -2.734 18657 2714 1 8 . 1 1 34 34 ALA HA H 34 3.722 3.722 4.043 -0.321 18657 2715 1 8 . 1 1 34 34 ALA C C 34 179.547 179.547 179.405 0.142 18657 2716 1 8 . 1 1 34 34 ALA CA C 34 54.835 54.835 54.745 0.090 18657 2717 1 8 . 1 1 34 34 ALA CB C 34 19.974 19.974 18.556 1.418 18657 2718 1 8 . 1 1 34 34 ALA H H 34 7.973 7.973 8.629 -0.656 18657 2719 1 8 . 1 1 35 35 GLU N N 35 116.421 116.421 117.021 -0.600 18657 2720 1 8 . 1 1 35 35 GLU HA H 35 4.022 4.022 4.156 -0.134 18657 2721 1 8 . 1 1 35 35 GLU C C 35 176.479 176.479 176.299 0.180 18657 2722 1 8 . 1 1 35 35 GLU CA C 35 58.966 58.966 58.014 0.952 18657 2723 1 8 . 1 1 35 35 GLU CB C 35 28.642 28.642 29.064 -0.422 18657 2724 1 8 . 1 1 35 35 GLU H H 35 9.247 9.247 8.552 0.695 18657 2725 1 8 . 1 1 36 36 ASP N N 36 118.097 118.097 118.999 -0.902 18657 2726 1 8 . 1 1 36 36 ASP HA H 36 4.955 4.955 4.898 0.057 18657 2727 1 8 . 1 1 36 36 ASP C C 36 176.823 176.823 176.619 0.204 18657 2728 1 8 . 1 1 36 36 ASP CA C 36 54.568 54.568 53.861 0.707 18657 2729 1 8 . 1 1 36 36 ASP CB C 36 40.971 40.971 40.611 0.360 18657 2730 1 8 . 1 1 36 36 ASP H H 36 8.146 8.146 8.372 -0.226 18657 2731 1 8 . 1 1 37 37 ILE N N 37 121.429 121.429 122.767 -1.338 18657 2732 1 8 . 1 1 37 37 ILE HA H 37 3.636 3.636 3.968 -0.332 18657 2733 1 8 . 1 1 37 37 ILE CA C 37 68.859 68.859 67.534 1.325 18657 2734 1 8 . 1 1 37 37 ILE CB C 37 35.859 35.859 36.408 -0.549 18657 2735 1 8 . 1 1 37 37 ILE H H 37 7.520 7.520 7.661 -0.141 18657 2736 1 8 . 1 1 38 38 PRO HA H 38 4.183 4.183 4.410 -0.227 18657 2737 1 8 . 1 1 38 38 PRO C C 38 179.052 179.052 176.945 2.107 18657 2738 1 8 . 1 1 38 38 PRO CA C 38 65.906 65.906 64.572 1.334 18657 2739 1 8 . 1 1 38 38 PRO CB C 38 31.030 31.030 31.006 0.024 18657 2740 1 8 . 1 1 39 39 ARG N N 39 115.064 115.064 117.027 -1.963 18657 2741 1 8 . 1 1 39 39 ARG HA H 39 4.237 4.237 4.375 -0.138 18657 2742 1 8 . 1 1 39 39 ARG C C 39 176.002 176.002 177.897 -1.895 18657 2743 1 8 . 1 1 39 39 ARG CA C 39 57.362 57.362 57.985 -0.623 18657 2744 1 8 . 1 1 39 39 ARG CB C 39 30.510 30.510 31.305 -0.795 18657 2745 1 8 . 1 1 39 39 ARG H H 39 7.367 7.367 7.964 -0.597 18657 2746 1 8 . 1 1 40 40 LEU N N 40 118.158 118.158 118.539 -0.381 18657 2747 1 8 . 1 1 40 40 LEU HA H 40 4.080 4.080 4.348 -0.268 18657 2748 1 8 . 1 1 40 40 LEU C C 40 177.804 177.804 177.152 0.652 18657 2749 1 8 . 1 1 40 40 LEU CA C 40 55.770 55.770 55.588 0.182 18657 2750 1 8 . 1 1 40 40 LEU CB C 40 42.782 42.782 41.801 0.981 18657 2751 1 8 . 1 1 40 40 LEU H H 40 7.782 7.782 8.326 -0.544 18657 2752 1 8 . 1 1 41 41 ILE N N 41 115.608 115.608 118.372 -2.764 18657 2753 1 8 . 1 1 41 41 ILE HA H 41 3.345 3.345 3.744 -0.399 18657 2754 1 8 . 1 1 41 41 ILE C C 41 178.078 178.078 176.286 1.792 18657 2755 1 8 . 1 1 41 41 ILE CA C 41 62.606 62.606 63.259 -0.653 18657 2756 1 8 . 1 1 41 41 ILE CB C 41 36.606 36.606 36.494 0.112 18657 2757 1 8 . 1 1 41 41 ILE H H 41 6.799 6.799 7.562 -0.763 18657 2758 1 8 . 1 1 42 42 SER N N 42 121.395 121.395 118.853 2.542 18657 2759 1 8 . 1 1 42 42 SER HA H 42 3.991 3.991 4.173 -0.182 18657 2760 1 8 . 1 1 42 42 SER C C 42 173.816 173.816 173.691 0.125 18657 2761 1 8 . 1 1 42 42 SER CA C 42 62.348 62.348 60.608 1.740 18657 2762 1 8 . 1 1 42 42 SER CB C 42 62.947 62.947 63.408 -0.461 18657 2763 1 8 . 1 1 42 42 SER H H 42 9.328 9.328 8.924 0.404 18657 2764 1 8 . 1 1 43 43 MET N N 43 123.672 123.672 120.821 2.851 18657 2765 1 8 . 1 1 43 43 MET HA H 43 4.449 4.449 4.587 -0.138 18657 2766 1 8 . 1 1 43 43 MET C C 43 175.128 175.128 176.000 -0.872 18657 2767 1 8 . 1 1 43 43 MET CA C 43 57.119 57.119 55.440 1.679 18657 2768 1 8 . 1 1 43 43 MET CB C 43 32.831 32.831 33.275 -0.444 18657 2769 1 8 . 1 1 43 43 MET H H 43 8.806 8.806 8.015 0.791 18657 2770 1 8 . 1 1 44 44 GLN N N 44 118.463 118.463 122.180 -3.717 18657 2771 1 8 . 1 1 44 44 GLN HA H 44 5.256 5.256 4.791 0.465 18657 2772 1 8 . 1 1 44 44 GLN C C 44 177.035 177.035 175.792 1.243 18657 2773 1 8 . 1 1 44 44 GLN CA C 44 54.304 54.304 55.509 -1.205 18657 2774 1 8 . 1 1 44 44 GLN CB C 44 32.083 32.083 30.126 1.957 18657 2775 1 8 . 1 1 44 44 GLN H H 44 8.947 8.947 8.684 0.263 18657 2776 1 8 . 1 1 45 45 VAL N N 45 111.238 111.238 113.747 -2.509 18657 2777 1 8 . 1 1 45 45 VAL HA H 45 5.297 5.297 4.620 0.677 18657 2778 1 8 . 1 1 45 45 VAL C C 45 177.962 177.962 175.737 2.225 18657 2779 1 8 . 1 1 45 45 VAL CA C 45 59.950 59.950 59.022 0.928 18657 2780 1 8 . 1 1 45 45 VAL CB C 45 33.437 33.437 33.910 -0.473 18657 2781 1 8 . 1 1 45 45 VAL H H 45 7.564 7.564 7.969 -0.405 18657 2782 1 8 . 1 1 46 46 ASN N N 46 118.782 118.782 119.380 -0.598 18657 2783 1 8 . 1 1 46 46 ASN HA H 46 4.716 4.716 4.831 -0.115 18657 2784 1 8 . 1 1 46 46 ASN C C 46 174.812 174.812 174.917 -0.105 18657 2785 1 8 . 1 1 46 46 ASN CA C 46 51.680 51.680 51.917 -0.237 18657 2786 1 8 . 1 1 46 46 ASN CB C 46 39.469 39.469 39.194 0.275 18657 2787 1 8 . 1 1 46 46 ASN H H 46 8.556 8.556 8.360 0.196 18657 2788 1 8 . 1 1 47 47 GLN N N 47 112.810 112.810 117.449 -4.639 18657 2789 1 8 . 1 1 47 47 GLN HA H 47 4.549 4.549 4.312 0.237 18657 2790 1 8 . 1 1 47 47 GLN C C 47 172.365 172.365 173.728 -1.363 18657 2791 1 8 . 1 1 47 47 GLN CA C 47 53.013 53.013 55.002 -1.989 18657 2792 1 8 . 1 1 47 47 GLN CB C 47 32.841 32.841 31.877 0.964 18657 2793 1 8 . 1 1 47 47 GLN H H 47 7.663 7.663 7.582 0.081 18657 2794 1 8 . 1 1 48 48 VAL N N 48 118.841 118.841 124.673 -5.832 18657 2795 1 8 . 1 1 48 48 VAL HA H 48 4.184 4.184 3.928 0.256 18657 2796 1 8 . 1 1 48 48 VAL C C 48 176.865 176.865 175.557 1.308 18657 2797 1 8 . 1 1 48 48 VAL CA C 48 62.932 62.932 63.871 -0.939 18657 2798 1 8 . 1 1 48 48 VAL CB C 48 31.788 31.788 31.841 -0.053 18657 2799 1 8 . 1 1 48 48 VAL H H 48 8.407 8.407 8.490 -0.083 18657 2800 1 8 . 1 1 49 49 VAL N N 49 130.600 130.600 128.025 2.575 18657 2801 1 8 . 1 1 49 49 VAL HA H 49 4.547 4.547 4.573 -0.026 18657 2802 1 8 . 1 1 49 49 VAL CA C 49 59.419 59.419 59.116 0.303 18657 2803 1 8 . 1 1 49 49 VAL CB C 49 33.236 33.236 33.085 0.151 18657 2804 1 8 . 1 1 49 49 VAL H H 49 9.165 9.165 8.975 0.190 18657 2805 1 8 . 1 1 50 50 PRO HA H 50 4.227 4.227 4.487 -0.260 18657 2806 1 8 . 1 1 50 50 PRO C C 50 176.512 176.512 176.191 0.321 18657 2807 1 8 . 1 1 50 50 PRO CA C 50 62.220 62.220 61.610 0.610 18657 2808 1 8 . 1 1 50 50 PRO CB C 50 32.282 32.282 32.518 -0.236 18657 2809 1 8 . 1 1 51 51 MET N N 51 123.146 123.146 119.445 3.701 18657 2810 1 8 . 1 1 51 51 MET HA H 51 3.322 3.322 4.039 -0.717 18657 2811 1 8 . 1 1 51 51 MET C C 51 176.953 176.953 177.845 -0.892 18657 2812 1 8 . 1 1 51 51 MET CA C 51 58.534 58.534 57.737 0.797 18657 2813 1 8 . 1 1 51 51 MET CB C 51 32.593 32.593 33.025 -0.432 18657 2814 1 8 . 1 1 51 51 MET H H 51 8.598 8.598 8.322 0.276 18657 2815 1 8 . 1 1 52 52 GLY N N 52 114.707 114.707 113.873 0.834 18657 2816 1 8 . 1 1 52 52 GLY C C 52 173.693 173.693 174.543 -0.850 18657 2817 1 8 . 1 1 52 52 GLY CA C 52 45.046 45.046 45.725 -0.679 18657 2818 1 8 . 1 1 52 52 GLY H H 52 8.852 8.852 9.098 -0.246 18657 2819 1 8 . 1 1 53 53 THR N N 53 119.372 119.372 120.372 -1.000 18657 2820 1 8 . 1 1 53 53 THR HA H 53 4.143 4.143 4.366 -0.223 18657 2821 1 8 . 1 1 53 53 THR C C 53 173.482 173.482 174.619 -1.137 18657 2822 1 8 . 1 1 53 53 THR CA C 53 63.363 63.363 62.917 0.446 18657 2823 1 8 . 1 1 53 53 THR CB C 53 69.448 69.448 68.925 0.522 18657 2824 1 8 . 1 1 53 53 THR H H 53 7.706 7.706 7.790 -0.084 18657 2825 1 8 . 1 1 54 54 THR N N 54 125.168 125.168 123.185 1.983 18657 2826 1 8 . 1 1 54 54 THR HA H 54 4.137 4.137 4.149 -0.012 18657 2827 1 8 . 1 1 54 54 THR C C 54 173.018 173.018 174.054 -1.036 18657 2828 1 8 . 1 1 54 54 THR CA C 54 63.314 63.314 64.415 -1.101 18657 2829 1 8 . 1 1 54 54 THR CB C 54 68.846 68.846 69.377 -0.531 18657 2830 1 8 . 1 1 54 54 THR H H 54 8.914 8.914 8.658 0.256 18657 2831 1 8 . 1 1 55 55 LEU N N 55 131.166 131.166 127.366 3.800 18657 2832 1 8 . 1 1 55 55 LEU HA H 55 4.298 4.298 4.482 -0.184 18657 2833 1 8 . 1 1 55 55 LEU C C 55 174.234 174.234 175.502 -1.268 18657 2834 1 8 . 1 1 55 55 LEU CA C 55 55.132 55.132 54.323 0.809 18657 2835 1 8 . 1 1 55 55 LEU CB C 55 42.317 42.317 43.729 -1.412 18657 2836 1 8 . 1 1 55 55 LEU H H 55 9.006 9.006 8.904 0.102 18657 2837 1 8 . 1 1 56 56 MET N N 56 126.627 126.627 123.518 3.109 18657 2838 1 8 . 1 1 56 56 MET HA H 56 5.043 5.043 4.871 0.172 18657 2839 1 8 . 1 1 56 56 MET CA C 56 51.058 51.058 52.456 -1.398 18657 2840 1 8 . 1 1 56 56 MET CB C 56 31.593 31.593 33.396 -1.803 18657 2841 1 8 . 1 1 56 56 MET H H 56 8.028 8.028 8.611 -0.583 18657 2842 1 8 . 1 1 57 57 PRO HA H 57 3.695 3.695 3.540 0.155 18657 2843 1 8 . 1 1 57 57 PRO C C 57 176.780 176.780 176.396 0.384 18657 2844 1 8 . 1 1 57 57 PRO CA C 57 66.142 66.142 64.346 1.796 18657 2845 1 8 . 1 1 57 57 PRO CB C 57 32.795 32.795 31.539 1.256 18657 2846 1 8 . 1 1 58 58 ASP N N 58 110.360 110.360 116.599 -6.239 18657 2847 1 8 . 1 1 58 58 ASP HA H 58 4.436 4.436 4.707 -0.271 18657 2848 1 8 . 1 1 58 58 ASP C C 58 176.945 176.945 175.701 1.244 18657 2849 1 8 . 1 1 58 58 ASP CA C 58 54.660 54.660 54.566 0.094 18657 2850 1 8 . 1 1 58 58 ASP CB C 58 39.716 39.716 40.461 -0.745 18657 2851 1 8 . 1 1 58 58 ASP H H 58 8.036 8.036 8.539 -0.503 18657 2852 1 8 . 1 1 59 59 MET N N 59 116.951 116.951 117.305 -0.354 18657 2853 1 8 . 1 1 59 59 MET HA H 59 4.642 4.642 4.812 -0.170 18657 2854 1 8 . 1 1 59 59 MET C C 59 174.817 174.817 174.663 0.154 18657 2855 1 8 . 1 1 59 59 MET CA C 59 56.757 56.757 55.315 1.442 18657 2856 1 8 . 1 1 59 59 MET CB C 59 33.587 33.587 34.574 -0.987 18657 2857 1 8 . 1 1 59 59 MET H H 59 8.066 8.066 7.361 0.705 18657 2858 1 8 . 1 1 60 60 VAL N N 60 117.470 117.470 120.596 -3.126 18657 2859 1 8 . 1 1 60 60 VAL HA H 60 4.351 4.351 4.439 -0.088 18657 2860 1 8 . 1 1 60 60 VAL C C 60 176.067 176.067 175.032 1.035 18657 2861 1 8 . 1 1 60 60 VAL CA C 60 61.229 61.229 60.750 0.479 18657 2862 1 8 . 1 1 60 60 VAL CB C 60 33.146 33.146 34.621 -1.475 18657 2863 1 8 . 1 1 60 60 VAL H H 60 7.109 7.109 7.287 -0.178 18657 2864 1 8 . 1 1 61 61 LYS N N 61 128.839 128.839 128.506 0.333 18657 2865 1 8 . 1 1 61 61 LYS HA H 61 4.122 4.122 4.364 -0.242 18657 2866 1 8 . 1 1 61 61 LYS C C 61 177.652 177.652 177.136 0.516 18657 2867 1 8 . 1 1 61 61 LYS CA C 61 58.146 58.146 56.806 1.340 18657 2868 1 8 . 1 1 61 61 LYS CB C 61 32.336 32.336 33.196 -0.860 18657 2869 1 8 . 1 1 61 61 LYS H H 61 9.069 9.069 8.371 0.698 18657 2870 1 8 . 1 1 62 62 GLY N N 62 113.363 113.363 111.305 2.058 18657 2871 1 8 . 1 1 62 62 GLY C C 62 174.621 174.621 174.406 0.215 18657 2872 1 8 . 1 1 62 62 GLY CA C 62 45.506 45.506 45.600 -0.094 18657 2873 1 8 . 1 1 62 62 GLY H H 62 9.094 9.094 8.688 0.406 18657 2874 1 8 . 1 1 63 63 TYR N N 63 120.959 120.959 119.687 1.272 18657 2875 1 8 . 1 1 63 63 TYR HA H 63 3.971 3.971 4.555 -0.584 18657 2876 1 8 . 1 1 63 63 TYR C C 63 174.228 174.228 174.670 -0.442 18657 2877 1 8 . 1 1 63 63 TYR CA C 63 60.374 60.374 57.933 2.441 18657 2878 1 8 . 1 1 63 63 TYR CB C 63 39.040 39.040 40.051 -1.011 18657 2879 1 8 . 1 1 63 63 TYR H H 63 7.564 7.564 7.431 0.134 18657 2880 1 8 . 1 1 64 64 ALA N N 64 129.533 129.533 122.920 6.613 18657 2881 1 8 . 1 1 64 64 ALA HA H 64 4.425 4.425 4.451 -0.026 18657 2882 1 8 . 1 1 64 64 ALA CA C 64 49.480 49.480 50.949 -1.469 18657 2883 1 8 . 1 1 64 64 ALA CB C 64 19.620 19.620 18.730 0.890 18657 2884 1 8 . 1 1 64 64 ALA H H 64 7.546 7.546 6.737 0.808 18657 2885 1 8 . 1 1 65 65 PRO HA H 65 4.250 4.250 4.489 -0.239 18657 2886 1 8 . 1 1 65 65 PRO C C 65 175.380 175.380 176.661 -1.281 18657 2887 1 8 . 1 1 65 65 PRO CA C 65 62.712 62.712 62.406 0.306 18657 2888 1 8 . 1 1 65 65 PRO CB C 65 32.210 32.210 32.379 -0.169 18657 2889 1 9 . 1 1 1 1 ASN HA H 1 4.703 4.703 4.897 -0.194 18657 2890 1 9 . 1 1 1 1 ASN C C 1 174.258 174.258 174.327 -0.069 18657 2891 1 9 . 1 1 1 1 ASN CA C 1 53.192 53.192 53.344 -0.152 18657 2892 1 9 . 1 1 1 1 ASN CB C 1 38.954 38.954 40.044 -1.090 18657 2893 1 9 . 1 1 2 2 GLN N N 2 120.041 120.041 123.086 -3.045 18657 2894 1 9 . 1 1 2 2 GLN HA H 2 4.323 4.323 4.071 0.252 18657 2895 1 9 . 1 1 2 2 GLN C C 2 176.004 176.004 175.061 0.943 18657 2896 1 9 . 1 1 2 2 GLN CA C 2 55.835 55.835 56.898 -1.063 18657 2897 1 9 . 1 1 2 2 GLN CB C 2 29.640 29.640 29.205 0.435 18657 2898 1 9 . 1 1 2 2 GLN H H 2 8.597 8.597 8.629 -0.032 18657 2899 1 9 . 1 1 3 3 GLU N N 3 124.166 124.166 126.273 -2.107 18657 2900 1 9 . 1 1 3 3 GLU HA H 3 4.294 4.294 4.358 -0.064 18657 2901 1 9 . 1 1 3 3 GLU C C 3 177.305 177.305 175.493 1.812 18657 2902 1 9 . 1 1 3 3 GLU CA C 3 56.597 56.597 55.834 0.763 18657 2903 1 9 . 1 1 3 3 GLU CB C 3 32.196 32.196 30.808 1.389 18657 2904 1 9 . 1 1 3 3 GLU H H 3 9.025 9.025 8.739 0.286 18657 2905 1 9 . 1 1 4 4 SER N N 4 118.222 118.222 120.131 -1.909 18657 2906 1 9 . 1 1 4 4 SER HA H 4 5.412 5.412 5.187 0.225 18657 2907 1 9 . 1 1 4 4 SER C C 4 171.713 171.713 174.274 -2.561 18657 2908 1 9 . 1 1 4 4 SER CA C 4 57.271 57.271 57.074 0.197 18657 2909 1 9 . 1 1 4 4 SER CB C 4 66.319 66.319 65.389 0.930 18657 2910 1 9 . 1 1 4 4 SER H H 4 8.925 8.925 8.153 0.772 18657 2911 1 9 . 1 1 5 5 VAL N N 5 122.304 122.304 123.458 -1.154 18657 2912 1 9 . 1 1 5 5 VAL HA H 5 4.156 4.156 4.417 -0.261 18657 2913 1 9 . 1 1 5 5 VAL C C 5 174.325 174.325 175.808 -1.483 18657 2914 1 9 . 1 1 5 5 VAL CA C 5 63.408 63.408 63.452 -0.044 18657 2915 1 9 . 1 1 5 5 VAL CB C 5 31.916 31.916 32.060 -0.144 18657 2916 1 9 . 1 1 5 5 VAL H H 5 8.506 8.506 8.835 -0.329 18657 2917 1 9 . 1 1 6 6 VAL N N 6 126.068 126.068 125.966 0.102 18657 2918 1 9 . 1 1 6 6 VAL HA H 6 4.512 4.512 4.259 0.253 18657 2919 1 9 . 1 1 6 6 VAL C C 6 174.958 174.958 175.121 -0.163 18657 2920 1 9 . 1 1 6 6 VAL CA C 6 59.365 59.365 59.741 -0.376 18657 2921 1 9 . 1 1 6 6 VAL CB C 6 36.189 36.189 34.153 2.036 18657 2922 1 9 . 1 1 6 6 VAL H H 6 8.637 8.637 7.773 0.864 18657 2923 1 9 . 1 1 7 7 ALA N N 7 126.887 126.887 129.621 -2.734 18657 2924 1 9 . 1 1 7 7 ALA HA H 7 4.441 4.441 4.235 0.206 18657 2925 1 9 . 1 1 7 7 ALA C C 7 178.642 178.642 177.976 0.666 18657 2926 1 9 . 1 1 7 7 ALA CA C 7 53.079 53.079 52.669 0.410 18657 2927 1 9 . 1 1 7 7 ALA CB C 7 19.055 19.055 18.657 0.398 18657 2928 1 9 . 1 1 7 7 ALA H H 7 8.318 8.318 8.019 0.299 18657 2929 1 9 . 1 1 8 8 ALA N N 8 129.962 129.962 127.706 2.256 18657 2930 1 9 . 1 1 8 8 ALA HA H 8 4.162 4.162 4.117 0.045 18657 2931 1 9 . 1 1 8 8 ALA C C 8 174.975 174.975 177.076 -2.101 18657 2932 1 9 . 1 1 8 8 ALA CA C 8 52.229 52.229 53.914 -1.685 18657 2933 1 9 . 1 1 8 8 ALA CB C 8 19.350 19.350 19.283 0.067 18657 2934 1 9 . 1 1 8 8 ALA H H 8 9.248 9.248 8.218 1.030 18657 2935 1 9 . 1 1 9 9 GLN N N 9 111.285 111.285 112.605 -1.320 18657 2936 1 9 . 1 1 9 9 GLN HA H 9 4.510 4.510 4.409 0.101 18657 2937 1 9 . 1 1 9 9 GLN C C 9 172.373 172.373 174.258 -1.885 18657 2938 1 9 . 1 1 9 9 GLN CA C 9 52.613 52.613 53.542 -0.930 18657 2939 1 9 . 1 1 9 9 GLN CB C 9 32.673 32.673 30.755 1.918 18657 2940 1 9 . 1 1 9 9 GLN H H 9 7.709 7.709 7.497 0.212 18657 2941 1 9 . 1 1 10 10 LEU N N 10 120.553 120.553 122.593 -2.040 18657 2942 1 9 . 1 1 10 10 LEU HA H 10 4.541 4.541 4.278 0.263 18657 2943 1 9 . 1 1 10 10 LEU C C 10 177.120 177.120 175.669 1.451 18657 2944 1 9 . 1 1 10 10 LEU CA C 10 56.329 56.329 55.990 0.339 18657 2945 1 9 . 1 1 10 10 LEU CB C 10 41.176 41.176 41.981 -0.805 18657 2946 1 9 . 1 1 10 10 LEU H H 10 8.501 8.501 8.521 -0.020 18657 2947 1 9 . 1 1 11 11 ILE N N 11 132.775 132.775 128.985 3.790 18657 2948 1 9 . 1 1 11 11 ILE HA H 11 4.604 4.604 4.578 0.026 18657 2949 1 9 . 1 1 11 11 ILE CA C 11 59.247 59.247 57.892 1.355 18657 2950 1 9 . 1 1 11 11 ILE CB C 11 39.630 39.630 39.715 -0.085 18657 2951 1 9 . 1 1 11 11 ILE H H 11 9.329 9.329 8.985 0.344 18657 2952 1 9 . 1 1 12 12 PRO HA H 12 4.392 4.392 4.489 -0.097 18657 2953 1 9 . 1 1 12 12 PRO C C 12 176.644 176.644 176.090 0.554 18657 2954 1 9 . 1 1 12 12 PRO CA C 12 61.904 61.904 61.761 0.143 18657 2955 1 9 . 1 1 12 12 PRO CB C 12 32.576 32.576 32.355 0.222 18657 2956 1 9 . 1 1 13 13 ILE N N 13 121.774 121.774 118.723 3.051 18657 2957 1 9 . 1 1 13 13 ILE HA H 13 3.380 3.380 3.638 -0.258 18657 2958 1 9 . 1 1 13 13 ILE C C 13 173.621 173.621 176.458 -2.837 18657 2959 1 9 . 1 1 13 13 ILE CA C 13 63.705 63.705 62.718 0.987 18657 2960 1 9 . 1 1 13 13 ILE CB C 13 38.836 38.836 38.728 0.108 18657 2961 1 9 . 1 1 13 13 ILE H H 13 7.938 7.938 8.068 -0.130 18657 2962 1 9 . 1 1 14 14 ASN N N 14 117.013 117.013 122.273 -5.260 18657 2963 1 9 . 1 1 14 14 ASN HA H 14 4.565 4.565 4.443 0.122 18657 2964 1 9 . 1 1 14 14 ASN C C 14 173.943 173.943 174.092 -0.149 18657 2965 1 9 . 1 1 14 14 ASN CA C 14 55.344 55.344 55.002 0.342 18657 2966 1 9 . 1 1 14 14 ASN CB C 14 37.014 37.014 36.347 0.667 18657 2967 1 9 . 1 1 14 14 ASN H H 14 7.240 7.240 9.163 -1.923 18657 2968 1 9 . 1 1 15 15 THR N N 15 116.580 116.580 116.415 0.165 18657 2969 1 9 . 1 1 15 15 THR HA H 15 3.966 3.966 4.430 -0.464 18657 2970 1 9 . 1 1 15 15 THR C C 15 172.956 172.956 173.845 -0.889 18657 2971 1 9 . 1 1 15 15 THR CA C 15 64.332 64.332 61.148 3.183 18657 2972 1 9 . 1 1 15 15 THR CB C 15 69.532 69.532 69.284 0.248 18657 2973 1 9 . 1 1 15 15 THR H H 15 7.313 7.313 7.461 -0.148 18657 2974 1 9 . 1 1 16 16 ALA N N 16 128.035 128.035 131.384 -3.349 18657 2975 1 9 . 1 1 16 16 ALA HA H 16 4.246 4.246 4.190 0.056 18657 2976 1 9 . 1 1 16 16 ALA C C 16 176.643 176.643 177.223 -0.580 18657 2977 1 9 . 1 1 16 16 ALA CA C 16 50.750 50.750 52.250 -1.500 18657 2978 1 9 . 1 1 16 16 ALA CB C 16 18.653 18.653 18.456 0.197 18657 2979 1 9 . 1 1 16 16 ALA H H 16 8.545 8.545 8.598 -0.053 18657 2980 1 9 . 1 1 17 17 LEU N N 17 125.094 125.094 126.284 -1.190 18657 2981 1 9 . 1 1 17 17 LEU HA H 17 4.505 4.505 4.184 0.321 18657 2982 1 9 . 1 1 17 17 LEU C C 17 178.848 178.848 176.895 1.953 18657 2983 1 9 . 1 1 17 17 LEU CA C 17 56.127 56.127 55.892 0.234 18657 2984 1 9 . 1 1 17 17 LEU CB C 17 42.573 42.573 42.543 0.030 18657 2985 1 9 . 1 1 17 17 LEU H H 17 9.114 9.114 8.437 0.677 18657 2986 1 9 . 1 1 18 18 THR N N 18 113.568 113.568 113.228 0.340 18657 2987 1 9 . 1 1 18 18 THR HA H 18 4.623 4.623 4.424 0.199 18657 2988 1 9 . 1 1 18 18 THR C C 18 175.028 175.028 174.812 0.216 18657 2989 1 9 . 1 1 18 18 THR CA C 18 58.935 58.935 60.178 -1.243 18657 2990 1 9 . 1 1 18 18 THR CB C 18 71.185 71.185 71.409 -0.224 18657 2991 1 9 . 1 1 18 18 THR H H 18 7.980 7.980 8.009 -0.029 18657 2992 1 9 . 1 1 19 19 LEU N N 19 121.118 121.118 123.621 -2.503 18657 2993 1 9 . 1 1 19 19 LEU HA H 19 3.817 3.817 4.334 -0.517 18657 2994 1 9 . 1 1 19 19 LEU C C 19 179.309 179.309 176.255 3.054 18657 2995 1 9 . 1 1 19 19 LEU CA C 19 58.710 58.710 56.544 2.166 18657 2996 1 9 . 1 1 19 19 LEU CB C 19 42.213 42.213 42.102 0.112 18657 2997 1 9 . 1 1 19 19 LEU H H 19 8.882 8.882 8.686 0.196 18657 2998 1 9 . 1 1 20 20 VAL N N 20 110.454 110.454 109.939 0.515 18657 2999 1 9 . 1 1 20 20 VAL HA H 20 4.021 4.021 4.079 -0.058 18657 3000 1 9 . 1 1 20 20 VAL C C 20 176.778 176.778 175.714 1.064 18657 3001 1 9 . 1 1 20 20 VAL CA C 20 63.377 63.377 62.496 0.881 18657 3002 1 9 . 1 1 20 20 VAL CB C 20 31.558 31.558 31.960 -0.402 18657 3003 1 9 . 1 1 20 20 VAL H H 20 7.528 7.528 7.587 -0.059 18657 3004 1 9 . 1 1 21 21 MET N N 21 116.848 116.848 118.164 -1.316 18657 3005 1 9 . 1 1 21 21 MET HA H 21 3.940 3.940 4.602 -0.662 18657 3006 1 9 . 1 1 21 21 MET C C 21 175.514 175.514 175.060 0.454 18657 3007 1 9 . 1 1 21 21 MET CA C 21 57.965 57.965 55.629 2.336 18657 3008 1 9 . 1 1 21 21 MET CB C 21 32.889 32.889 34.954 -2.065 18657 3009 1 9 . 1 1 21 21 MET H H 21 7.518 7.518 8.080 -0.562 18657 3010 1 9 . 1 1 22 22 MET N N 22 116.986 116.986 117.205 -0.219 18657 3011 1 9 . 1 1 22 22 MET HA H 22 4.893 4.893 4.812 0.081 18657 3012 1 9 . 1 1 22 22 MET C C 22 173.981 173.981 174.737 -0.756 18657 3013 1 9 . 1 1 22 22 MET CA C 22 55.373 55.373 54.823 0.550 18657 3014 1 9 . 1 1 22 22 MET CB C 22 37.383 37.383 36.828 0.555 18657 3015 1 9 . 1 1 22 22 MET H H 22 7.709 7.709 7.373 0.336 18657 3016 1 9 . 1 1 23 23 THR N N 23 118.163 118.163 112.972 5.191 18657 3017 1 9 . 1 1 23 23 THR HA H 23 4.788 4.788 4.662 0.126 18657 3018 1 9 . 1 1 23 23 THR C C 23 172.307 172.307 172.121 0.186 18657 3019 1 9 . 1 1 23 23 THR CA C 23 58.678 58.678 61.143 -2.465 18657 3020 1 9 . 1 1 23 23 THR CB C 23 69.836 69.836 70.773 -0.937 18657 3021 1 9 . 1 1 23 23 THR H H 23 9.041 9.041 8.132 0.909 18657 3022 1 9 . 1 1 24 24 THR N N 24 111.374 111.374 112.596 -1.222 18657 3023 1 9 . 1 1 24 24 THR HA H 24 5.691 5.691 5.252 0.439 18657 3024 1 9 . 1 1 24 24 THR C C 24 174.035 174.035 173.417 0.618 18657 3025 1 9 . 1 1 24 24 THR CA C 24 58.843 58.843 60.559 -1.716 18657 3026 1 9 . 1 1 24 24 THR CB C 24 71.456 71.456 71.667 -0.211 18657 3027 1 9 . 1 1 24 24 THR H H 24 8.139 8.139 8.232 -0.093 18657 3028 1 9 . 1 1 25 25 ARG N N 25 119.402 119.402 123.684 -4.282 18657 3029 1 9 . 1 1 25 25 ARG HA H 25 4.575 4.575 4.504 0.071 18657 3030 1 9 . 1 1 25 25 ARG C C 25 174.979 174.979 173.503 1.476 18657 3031 1 9 . 1 1 25 25 ARG CA C 25 55.085 55.085 55.448 -0.363 18657 3032 1 9 . 1 1 25 25 ARG CB C 25 35.806 35.806 33.789 2.017 18657 3033 1 9 . 1 1 25 25 ARG H H 25 8.626 8.626 8.383 0.243 18657 3034 1 9 . 1 1 26 26 VAL N N 26 124.668 124.668 125.201 -0.533 18657 3035 1 9 . 1 1 26 26 VAL HA H 26 4.132 4.132 4.008 0.124 18657 3036 1 9 . 1 1 26 26 VAL C C 26 174.893 174.893 175.994 -1.101 18657 3037 1 9 . 1 1 26 26 VAL CA C 26 64.085 64.085 62.987 1.098 18657 3038 1 9 . 1 1 26 26 VAL CB C 26 30.450 30.450 30.020 0.430 18657 3039 1 9 . 1 1 26 26 VAL H H 26 9.050 9.050 8.434 0.616 18657 3040 1 9 . 1 1 27 27 VAL N N 27 123.136 123.136 123.158 -0.022 18657 3041 1 9 . 1 1 27 27 VAL HA H 27 4.649 4.649 4.551 0.098 18657 3042 1 9 . 1 1 27 27 VAL C C 27 174.747 174.747 173.940 0.807 18657 3043 1 9 . 1 1 27 27 VAL CA C 27 59.232 59.232 59.216 0.016 18657 3044 1 9 . 1 1 27 27 VAL CB C 27 36.205 36.205 35.498 0.707 18657 3045 1 9 . 1 1 27 27 VAL H H 27 8.266 8.266 7.865 0.401 18657 3046 1 9 . 1 1 28 28 SER N N 28 116.564 116.564 116.504 0.060 18657 3047 1 9 . 1 1 28 28 SER HA H 28 4.535 4.535 4.912 -0.377 18657 3048 1 9 . 1 1 28 28 SER CA C 28 54.880 54.880 55.557 -0.677 18657 3049 1 9 . 1 1 28 28 SER CB C 28 64.922 64.922 64.780 0.142 18657 3050 1 9 . 1 1 28 28 SER H H 28 8.302 8.302 8.296 0.006 18657 3051 1 9 . 1 1 29 29 PRO HA H 29 4.774 4.774 4.668 0.106 18657 3052 1 9 . 1 1 29 29 PRO C C 29 176.324 176.324 176.089 0.235 18657 3053 1 9 . 1 1 29 29 PRO CA C 29 62.543 62.543 62.575 -0.032 18657 3054 1 9 . 1 1 29 29 PRO CB C 29 34.561 34.561 32.313 2.248 18657 3055 1 9 . 1 1 30 30 THR N N 30 113.418 113.418 112.120 1.298 18657 3056 1 9 . 1 1 30 30 THR HA H 30 3.830 3.830 4.327 -0.497 18657 3057 1 9 . 1 1 30 30 THR C C 30 174.556 174.556 173.932 0.624 18657 3058 1 9 . 1 1 30 30 THR CA C 30 62.846 62.846 61.805 1.041 18657 3059 1 9 . 1 1 30 30 THR CB C 30 69.384 69.384 69.852 -0.468 18657 3060 1 9 . 1 1 30 30 THR H H 30 8.492 8.492 8.196 0.296 18657 3061 1 9 . 1 1 31 31 GLY N N 31 109.224 109.224 110.067 -0.843 18657 3062 1 9 . 1 1 31 31 GLY C C 31 174.722 174.722 173.487 1.235 18657 3063 1 9 . 1 1 31 31 GLY CA C 31 44.844 44.844 43.449 1.395 18657 3064 1 9 . 1 1 31 31 GLY H H 31 8.054 8.054 8.147 -0.093 18657 3065 1 9 . 1 1 32 32 ILE N N 32 128.549 128.549 122.630 5.919 18657 3066 1 9 . 1 1 32 32 ILE HA H 32 3.959 3.959 4.003 -0.044 18657 3067 1 9 . 1 1 32 32 ILE CA C 32 61.251 61.251 62.091 -0.840 18657 3068 1 9 . 1 1 32 32 ILE CB C 32 39.665 39.665 37.588 2.077 18657 3069 1 9 . 1 1 32 32 ILE H H 32 8.820 8.820 8.226 0.594 18657 3070 1 9 . 1 1 33 33 PRO HA H 33 4.777 4.777 4.768 0.009 18657 3071 1 9 . 1 1 33 33 PRO C C 33 177.878 177.878 177.418 0.460 18657 3072 1 9 . 1 1 33 33 PRO CA C 33 63.110 63.110 62.336 0.774 18657 3073 1 9 . 1 1 33 33 PRO CB C 33 32.793 32.793 32.173 0.619 18657 3074 1 9 . 1 1 34 34 ALA N N 34 123.151 123.151 125.655 -2.504 18657 3075 1 9 . 1 1 34 34 ALA HA H 34 3.722 3.722 4.081 -0.359 18657 3076 1 9 . 1 1 34 34 ALA C C 34 179.547 179.547 179.613 -0.066 18657 3077 1 9 . 1 1 34 34 ALA CA C 34 54.835 54.835 54.728 0.107 18657 3078 1 9 . 1 1 34 34 ALA CB C 34 19.974 19.974 18.735 1.239 18657 3079 1 9 . 1 1 34 34 ALA H H 34 7.973 7.973 8.537 -0.564 18657 3080 1 9 . 1 1 35 35 GLU N N 35 116.421 116.421 116.355 0.066 18657 3081 1 9 . 1 1 35 35 GLU HA H 35 4.022 4.022 4.104 -0.082 18657 3082 1 9 . 1 1 35 35 GLU C C 35 176.479 176.479 176.858 -0.379 18657 3083 1 9 . 1 1 35 35 GLU CA C 35 58.966 58.966 57.887 1.079 18657 3084 1 9 . 1 1 35 35 GLU CB C 35 28.642 28.642 29.124 -0.482 18657 3085 1 9 . 1 1 35 35 GLU H H 35 9.247 9.247 8.729 0.518 18657 3086 1 9 . 1 1 36 36 ASP N N 36 118.097 118.097 118.019 0.078 18657 3087 1 9 . 1 1 36 36 ASP HA H 36 4.955 4.955 4.903 0.052 18657 3088 1 9 . 1 1 36 36 ASP C C 36 176.823 176.823 176.414 0.409 18657 3089 1 9 . 1 1 36 36 ASP CA C 36 54.568 54.568 53.852 0.716 18657 3090 1 9 . 1 1 36 36 ASP CB C 36 40.971 40.971 41.305 -0.334 18657 3091 1 9 . 1 1 36 36 ASP H H 36 8.146 8.146 8.120 0.026 18657 3092 1 9 . 1 1 37 37 ILE N N 37 121.429 121.429 122.747 -1.318 18657 3093 1 9 . 1 1 37 37 ILE HA H 37 3.636 3.636 3.953 -0.317 18657 3094 1 9 . 1 1 37 37 ILE CA C 37 68.859 68.859 67.578 1.281 18657 3095 1 9 . 1 1 37 37 ILE CB C 37 35.859 35.859 36.361 -0.502 18657 3096 1 9 . 1 1 37 37 ILE H H 37 7.520 7.520 7.970 -0.450 18657 3097 1 9 . 1 1 38 38 PRO HA H 38 4.183 4.183 4.403 -0.220 18657 3098 1 9 . 1 1 38 38 PRO C C 38 179.052 179.052 176.976 2.076 18657 3099 1 9 . 1 1 38 38 PRO CA C 38 65.906 65.906 64.570 1.336 18657 3100 1 9 . 1 1 38 38 PRO CB C 38 31.030 31.030 31.030 0.000 18657 3101 1 9 . 1 1 39 39 ARG N N 39 115.064 115.064 116.788 -1.724 18657 3102 1 9 . 1 1 39 39 ARG HA H 39 4.237 4.237 4.391 -0.154 18657 3103 1 9 . 1 1 39 39 ARG C C 39 176.002 176.002 177.783 -1.781 18657 3104 1 9 . 1 1 39 39 ARG CA C 39 57.362 57.362 57.898 -0.535 18657 3105 1 9 . 1 1 39 39 ARG CB C 39 30.510 30.510 31.484 -0.974 18657 3106 1 9 . 1 1 39 39 ARG H H 39 7.367 7.367 7.988 -0.621 18657 3107 1 9 . 1 1 40 40 LEU N N 40 118.158 118.158 118.552 -0.394 18657 3108 1 9 . 1 1 40 40 LEU HA H 40 4.080 4.080 4.386 -0.306 18657 3109 1 9 . 1 1 40 40 LEU C C 40 177.804 177.804 177.054 0.750 18657 3110 1 9 . 1 1 40 40 LEU CA C 40 55.770 55.770 55.393 0.377 18657 3111 1 9 . 1 1 40 40 LEU CB C 40 42.782 42.782 41.950 0.832 18657 3112 1 9 . 1 1 40 40 LEU H H 40 7.782 7.782 8.309 -0.527 18657 3113 1 9 . 1 1 41 41 ILE N N 41 115.608 115.608 118.271 -2.663 18657 3114 1 9 . 1 1 41 41 ILE HA H 41 3.345 3.345 3.765 -0.420 18657 3115 1 9 . 1 1 41 41 ILE C C 41 178.078 178.078 176.294 1.784 18657 3116 1 9 . 1 1 41 41 ILE CA C 41 62.606 62.606 63.224 -0.618 18657 3117 1 9 . 1 1 41 41 ILE CB C 41 36.606 36.606 36.498 0.108 18657 3118 1 9 . 1 1 41 41 ILE H H 41 6.799 6.799 7.543 -0.744 18657 3119 1 9 . 1 1 42 42 SER N N 42 121.395 121.395 118.444 2.951 18657 3120 1 9 . 1 1 42 42 SER HA H 42 3.991 3.991 4.153 -0.162 18657 3121 1 9 . 1 1 42 42 SER C C 42 173.816 173.816 173.654 0.162 18657 3122 1 9 . 1 1 42 42 SER CA C 42 62.348 62.348 60.672 1.676 18657 3123 1 9 . 1 1 42 42 SER CB C 42 62.947 62.947 63.415 -0.468 18657 3124 1 9 . 1 1 42 42 SER H H 42 9.328 9.328 8.896 0.432 18657 3125 1 9 . 1 1 43 43 MET N N 43 123.672 123.672 120.720 2.952 18657 3126 1 9 . 1 1 43 43 MET HA H 43 4.449 4.449 4.631 -0.182 18657 3127 1 9 . 1 1 43 43 MET C C 43 175.128 175.128 175.990 -0.862 18657 3128 1 9 . 1 1 43 43 MET CA C 43 57.119 57.119 55.094 2.025 18657 3129 1 9 . 1 1 43 43 MET CB C 43 32.831 32.831 33.441 -0.610 18657 3130 1 9 . 1 1 43 43 MET H H 43 8.806 8.806 8.049 0.757 18657 3131 1 9 . 1 1 44 44 GLN N N 44 118.463 118.463 123.228 -4.765 18657 3132 1 9 . 1 1 44 44 GLN HA H 44 5.256 5.256 4.683 0.573 18657 3133 1 9 . 1 1 44 44 GLN C C 44 177.035 177.035 175.685 1.350 18657 3134 1 9 . 1 1 44 44 GLN CA C 44 54.304 54.304 55.405 -1.101 18657 3135 1 9 . 1 1 44 44 GLN CB C 44 32.083 32.083 29.864 2.219 18657 3136 1 9 . 1 1 44 44 GLN H H 44 8.947 8.947 8.748 0.199 18657 3137 1 9 . 1 1 45 45 VAL N N 45 111.238 111.238 114.285 -3.047 18657 3138 1 9 . 1 1 45 45 VAL HA H 45 5.297 5.297 4.655 0.642 18657 3139 1 9 . 1 1 45 45 VAL C C 45 177.962 177.962 175.338 2.624 18657 3140 1 9 . 1 1 45 45 VAL CA C 45 59.950 59.950 59.039 0.911 18657 3141 1 9 . 1 1 45 45 VAL CB C 45 33.437 33.437 34.015 -0.578 18657 3142 1 9 . 1 1 45 45 VAL H H 45 7.564 7.564 8.048 -0.484 18657 3143 1 9 . 1 1 46 46 ASN N N 46 118.782 118.782 120.847 -2.065 18657 3144 1 9 . 1 1 46 46 ASN HA H 46 4.716 4.716 4.737 -0.021 18657 3145 1 9 . 1 1 46 46 ASN C C 46 174.812 174.812 174.782 0.030 18657 3146 1 9 . 1 1 46 46 ASN CA C 46 51.680 51.680 52.269 -0.589 18657 3147 1 9 . 1 1 46 46 ASN CB C 46 39.469 39.469 38.802 0.667 18657 3148 1 9 . 1 1 46 46 ASN H H 46 8.556 8.556 8.281 0.275 18657 3149 1 9 . 1 1 47 47 GLN N N 47 112.810 112.810 116.624 -3.814 18657 3150 1 9 . 1 1 47 47 GLN HA H 47 4.549 4.549 4.256 0.293 18657 3151 1 9 . 1 1 47 47 GLN C C 47 172.365 172.365 173.872 -1.507 18657 3152 1 9 . 1 1 47 47 GLN CA C 47 53.013 53.013 54.999 -1.986 18657 3153 1 9 . 1 1 47 47 GLN CB C 47 32.841 32.841 32.085 0.756 18657 3154 1 9 . 1 1 47 47 GLN H H 47 7.663 7.663 7.595 0.068 18657 3155 1 9 . 1 1 48 48 VAL N N 48 118.841 118.841 123.978 -5.137 18657 3156 1 9 . 1 1 48 48 VAL HA H 48 4.184 4.184 3.962 0.222 18657 3157 1 9 . 1 1 48 48 VAL C C 48 176.865 176.865 175.550 1.315 18657 3158 1 9 . 1 1 48 48 VAL CA C 48 62.932 62.932 63.668 -0.736 18657 3159 1 9 . 1 1 48 48 VAL CB C 48 31.788 31.788 31.660 0.128 18657 3160 1 9 . 1 1 48 48 VAL H H 48 8.407 8.407 8.466 -0.059 18657 3161 1 9 . 1 1 49 49 VAL N N 49 130.600 130.600 128.795 1.805 18657 3162 1 9 . 1 1 49 49 VAL HA H 49 4.547 4.547 4.549 -0.002 18657 3163 1 9 . 1 1 49 49 VAL CA C 49 59.419 59.419 59.221 0.198 18657 3164 1 9 . 1 1 49 49 VAL CB C 49 33.236 33.236 33.456 -0.220 18657 3165 1 9 . 1 1 49 49 VAL H H 49 9.165 9.165 9.205 -0.040 18657 3166 1 9 . 1 1 50 50 PRO HA H 50 4.227 4.227 4.532 -0.305 18657 3167 1 9 . 1 1 50 50 PRO C C 50 176.512 176.512 176.190 0.322 18657 3168 1 9 . 1 1 50 50 PRO CA C 50 62.220 62.220 61.618 0.602 18657 3169 1 9 . 1 1 50 50 PRO CB C 50 32.282 32.282 32.457 -0.175 18657 3170 1 9 . 1 1 51 51 MET N N 51 123.146 123.146 120.309 2.837 18657 3171 1 9 . 1 1 51 51 MET HA H 51 3.322 3.322 4.033 -0.711 18657 3172 1 9 . 1 1 51 51 MET C C 51 176.953 176.953 177.831 -0.878 18657 3173 1 9 . 1 1 51 51 MET CA C 51 58.534 58.534 57.818 0.716 18657 3174 1 9 . 1 1 51 51 MET CB C 51 32.593 32.593 32.972 -0.379 18657 3175 1 9 . 1 1 51 51 MET H H 51 8.598 8.598 8.361 0.237 18657 3176 1 9 . 1 1 52 52 GLY N N 52 114.707 114.707 114.347 0.360 18657 3177 1 9 . 1 1 52 52 GLY C C 52 173.693 173.693 174.299 -0.606 18657 3178 1 9 . 1 1 52 52 GLY CA C 52 45.046 45.046 45.645 -0.599 18657 3179 1 9 . 1 1 52 52 GLY H H 52 8.852 8.852 9.085 -0.233 18657 3180 1 9 . 1 1 53 53 THR N N 53 119.372 119.372 120.498 -1.126 18657 3181 1 9 . 1 1 53 53 THR HA H 53 4.143 4.143 4.321 -0.178 18657 3182 1 9 . 1 1 53 53 THR C C 53 173.482 173.482 174.605 -1.123 18657 3183 1 9 . 1 1 53 53 THR CA C 53 63.363 63.363 62.086 1.277 18657 3184 1 9 . 1 1 53 53 THR CB C 53 69.448 69.448 69.086 0.362 18657 3185 1 9 . 1 1 53 53 THR H H 53 7.706 7.706 7.853 -0.147 18657 3186 1 9 . 1 1 54 54 THR N N 54 125.168 125.168 123.181 1.987 18657 3187 1 9 . 1 1 54 54 THR HA H 54 4.137 4.137 4.151 -0.014 18657 3188 1 9 . 1 1 54 54 THR C C 54 173.018 173.018 174.211 -1.193 18657 3189 1 9 . 1 1 54 54 THR CA C 54 63.314 63.314 64.435 -1.121 18657 3190 1 9 . 1 1 54 54 THR CB C 54 68.846 68.846 69.331 -0.484 18657 3191 1 9 . 1 1 54 54 THR H H 54 8.914 8.914 8.635 0.279 18657 3192 1 9 . 1 1 55 55 LEU N N 55 131.166 131.166 126.976 4.190 18657 3193 1 9 . 1 1 55 55 LEU HA H 55 4.298 4.298 4.426 -0.128 18657 3194 1 9 . 1 1 55 55 LEU C C 55 174.234 174.234 175.771 -1.537 18657 3195 1 9 . 1 1 55 55 LEU CA C 55 55.132 55.132 54.431 0.701 18657 3196 1 9 . 1 1 55 55 LEU CB C 55 42.317 42.317 43.016 -0.699 18657 3197 1 9 . 1 1 55 55 LEU H H 55 9.006 9.006 8.838 0.168 18657 3198 1 9 . 1 1 56 56 MET N N 56 126.627 126.627 122.351 4.276 18657 3199 1 9 . 1 1 56 56 MET HA H 56 5.043 5.043 4.871 0.172 18657 3200 1 9 . 1 1 56 56 MET CA C 56 51.058 51.058 52.528 -1.470 18657 3201 1 9 . 1 1 56 56 MET CB C 56 31.593 31.593 33.123 -1.530 18657 3202 1 9 . 1 1 56 56 MET H H 56 8.028 8.028 8.639 -0.611 18657 3203 1 9 . 1 1 57 57 PRO HA H 57 3.695 3.695 3.499 0.196 18657 3204 1 9 . 1 1 57 57 PRO C C 57 176.780 176.780 176.420 0.360 18657 3205 1 9 . 1 1 57 57 PRO CA C 57 66.142 66.142 64.428 1.714 18657 3206 1 9 . 1 1 57 57 PRO CB C 57 32.795 32.795 31.379 1.416 18657 3207 1 9 . 1 1 58 58 ASP N N 58 110.360 110.360 116.346 -5.986 18657 3208 1 9 . 1 1 58 58 ASP HA H 58 4.436 4.436 4.617 -0.181 18657 3209 1 9 . 1 1 58 58 ASP C C 58 176.945 176.945 175.918 1.027 18657 3210 1 9 . 1 1 58 58 ASP CA C 58 54.660 54.660 53.937 0.723 18657 3211 1 9 . 1 1 58 58 ASP CB C 58 39.716 39.716 40.569 -0.853 18657 3212 1 9 . 1 1 58 58 ASP H H 58 8.036 8.036 8.502 -0.466 18657 3213 1 9 . 1 1 59 59 MET N N 59 116.951 116.951 117.411 -0.460 18657 3214 1 9 . 1 1 59 59 MET HA H 59 4.642 4.642 4.846 -0.204 18657 3215 1 9 . 1 1 59 59 MET C C 59 174.817 174.817 174.545 0.272 18657 3216 1 9 . 1 1 59 59 MET CA C 59 56.757 56.757 55.136 1.621 18657 3217 1 9 . 1 1 59 59 MET CB C 59 33.587 33.587 34.651 -1.064 18657 3218 1 9 . 1 1 59 59 MET H H 59 8.066 8.066 7.353 0.713 18657 3219 1 9 . 1 1 60 60 VAL N N 60 117.470 117.470 120.477 -3.007 18657 3220 1 9 . 1 1 60 60 VAL HA H 60 4.351 4.351 4.505 -0.154 18657 3221 1 9 . 1 1 60 60 VAL C C 60 176.067 176.067 175.577 0.490 18657 3222 1 9 . 1 1 60 60 VAL CA C 60 61.229 61.229 59.681 1.548 18657 3223 1 9 . 1 1 60 60 VAL CB C 60 33.146 33.146 34.105 -0.959 18657 3224 1 9 . 1 1 60 60 VAL H H 60 7.109 7.109 7.288 -0.179 18657 3225 1 9 . 1 1 61 61 LYS N N 61 128.839 128.839 128.214 0.625 18657 3226 1 9 . 1 1 61 61 LYS HA H 61 4.122 4.122 4.430 -0.308 18657 3227 1 9 . 1 1 61 61 LYS C C 61 177.652 177.652 177.009 0.643 18657 3228 1 9 . 1 1 61 61 LYS CA C 61 58.146 58.146 56.056 2.090 18657 3229 1 9 . 1 1 61 61 LYS CB C 61 32.336 32.336 32.628 -0.292 18657 3230 1 9 . 1 1 61 61 LYS H H 61 9.069 9.069 8.105 0.964 18657 3231 1 9 . 1 1 62 62 GLY N N 62 113.363 113.363 109.126 4.237 18657 3232 1 9 . 1 1 62 62 GLY C C 62 174.621 174.621 174.481 0.140 18657 3233 1 9 . 1 1 62 62 GLY CA C 62 45.506 45.506 46.291 -0.785 18657 3234 1 9 . 1 1 62 62 GLY H H 62 9.094 9.094 8.673 0.421 18657 3235 1 9 . 1 1 63 63 TYR N N 63 120.959 120.959 119.501 1.458 18657 3236 1 9 . 1 1 63 63 TYR HA H 63 3.971 3.971 4.487 -0.516 18657 3237 1 9 . 1 1 63 63 TYR C C 63 174.228 174.228 174.749 -0.521 18657 3238 1 9 . 1 1 63 63 TYR CA C 63 60.374 60.374 58.217 2.157 18657 3239 1 9 . 1 1 63 63 TYR CB C 63 39.040 39.040 39.920 -0.880 18657 3240 1 9 . 1 1 63 63 TYR H H 63 7.564 7.564 7.392 0.172 18657 3241 1 9 . 1 1 64 64 ALA N N 64 129.533 129.533 122.874 6.659 18657 3242 1 9 . 1 1 64 64 ALA HA H 64 4.425 4.425 4.538 -0.113 18657 3243 1 9 . 1 1 64 64 ALA CA C 64 49.480 49.480 50.843 -1.363 18657 3244 1 9 . 1 1 64 64 ALA CB C 64 19.620 19.620 19.116 0.504 18657 3245 1 9 . 1 1 64 64 ALA H H 64 7.546 7.546 6.686 0.860 18657 3246 1 9 . 1 1 65 65 PRO HA H 65 4.250 4.250 4.503 -0.253 18657 3247 1 9 . 1 1 65 65 PRO C C 65 175.380 175.380 176.765 -1.385 18657 3248 1 9 . 1 1 65 65 PRO CA C 65 62.712 62.712 62.334 0.378 18657 3249 1 9 . 1 1 65 65 PRO CB C 65 32.210 32.210 32.430 -0.220 18657 3250 1 10 . 1 1 1 1 ASN HA H 1 4.703 4.703 4.881 -0.178 18657 3251 1 10 . 1 1 1 1 ASN C C 1 174.258 174.258 174.459 -0.201 18657 3252 1 10 . 1 1 1 1 ASN CA C 1 53.192 53.192 53.581 -0.389 18657 3253 1 10 . 1 1 1 1 ASN CB C 1 38.954 38.954 40.110 -1.156 18657 3254 1 10 . 1 1 2 2 GLN N N 2 120.041 120.041 123.406 -3.365 18657 3255 1 10 . 1 1 2 2 GLN HA H 2 4.323 4.323 4.019 0.304 18657 3256 1 10 . 1 1 2 2 GLN C C 2 176.004 176.004 175.064 0.940 18657 3257 1 10 . 1 1 2 2 GLN CA C 2 55.835 55.835 57.010 -1.175 18657 3258 1 10 . 1 1 2 2 GLN CB C 2 29.640 29.640 29.168 0.472 18657 3259 1 10 . 1 1 2 2 GLN H H 2 8.597 8.597 8.690 -0.093 18657 3260 1 10 . 1 1 3 3 GLU N N 3 124.166 124.166 126.439 -2.273 18657 3261 1 10 . 1 1 3 3 GLU HA H 3 4.294 4.294 4.438 -0.144 18657 3262 1 10 . 1 1 3 3 GLU C C 3 177.305 177.305 175.451 1.854 18657 3263 1 10 . 1 1 3 3 GLU CA C 3 56.597 56.597 55.597 1.000 18657 3264 1 10 . 1 1 3 3 GLU CB C 3 32.196 32.196 30.865 1.331 18657 3265 1 10 . 1 1 3 3 GLU H H 3 9.025 9.025 8.728 0.297 18657 3266 1 10 . 1 1 4 4 SER N N 4 118.222 118.222 120.820 -2.598 18657 3267 1 10 . 1 1 4 4 SER HA H 4 5.412 5.412 5.100 0.312 18657 3268 1 10 . 1 1 4 4 SER C C 4 171.713 171.713 173.932 -2.219 18657 3269 1 10 . 1 1 4 4 SER CA C 4 57.271 57.271 57.741 -0.470 18657 3270 1 10 . 1 1 4 4 SER CB C 4 66.319 66.319 65.016 1.303 18657 3271 1 10 . 1 1 4 4 SER H H 4 8.925 8.925 8.197 0.728 18657 3272 1 10 . 1 1 5 5 VAL N N 5 122.304 122.304 122.909 -0.605 18657 3273 1 10 . 1 1 5 5 VAL HA H 5 4.156 4.156 4.432 -0.276 18657 3274 1 10 . 1 1 5 5 VAL C C 5 174.325 174.325 175.907 -1.582 18657 3275 1 10 . 1 1 5 5 VAL CA C 5 63.408 63.408 63.504 -0.096 18657 3276 1 10 . 1 1 5 5 VAL CB C 5 31.916 31.916 31.564 0.352 18657 3277 1 10 . 1 1 5 5 VAL H H 5 8.506 8.506 8.764 -0.258 18657 3278 1 10 . 1 1 6 6 VAL N N 6 126.068 126.068 125.225 0.843 18657 3279 1 10 . 1 1 6 6 VAL HA H 6 4.512 4.512 4.293 0.219 18657 3280 1 10 . 1 1 6 6 VAL C C 6 174.958 174.958 174.618 0.340 18657 3281 1 10 . 1 1 6 6 VAL CA C 6 59.365 59.365 60.317 -0.952 18657 3282 1 10 . 1 1 6 6 VAL CB C 6 36.189 36.189 35.183 1.006 18657 3283 1 10 . 1 1 6 6 VAL H H 6 8.637 8.637 8.860 -0.223 18657 3284 1 10 . 1 1 7 7 ALA N N 7 126.887 126.887 129.275 -2.388 18657 3285 1 10 . 1 1 7 7 ALA HA H 7 4.441 4.441 4.301 0.140 18657 3286 1 10 . 1 1 7 7 ALA C C 7 178.642 178.642 177.928 0.714 18657 3287 1 10 . 1 1 7 7 ALA CA C 7 53.079 53.079 52.625 0.454 18657 3288 1 10 . 1 1 7 7 ALA CB C 7 19.055 19.055 18.661 0.394 18657 3289 1 10 . 1 1 7 7 ALA H H 7 8.318 8.318 8.313 0.005 18657 3290 1 10 . 1 1 8 8 ALA N N 8 129.962 129.962 127.799 2.163 18657 3291 1 10 . 1 1 8 8 ALA HA H 8 4.162 4.162 4.116 0.046 18657 3292 1 10 . 1 1 8 8 ALA C C 8 174.975 174.975 177.076 -2.101 18657 3293 1 10 . 1 1 8 8 ALA CA C 8 52.229 52.229 53.934 -1.704 18657 3294 1 10 . 1 1 8 8 ALA CB C 8 19.350 19.350 19.270 0.080 18657 3295 1 10 . 1 1 8 8 ALA H H 8 9.248 9.248 8.220 1.028 18657 3296 1 10 . 1 1 9 9 GLN N N 9 111.285 111.285 112.558 -1.273 18657 3297 1 10 . 1 1 9 9 GLN HA H 9 4.510 4.510 4.408 0.102 18657 3298 1 10 . 1 1 9 9 GLN C C 9 172.373 172.373 174.279 -1.906 18657 3299 1 10 . 1 1 9 9 GLN CA C 9 52.613 52.613 53.658 -1.045 18657 3300 1 10 . 1 1 9 9 GLN CB C 9 32.673 32.673 30.672 2.001 18657 3301 1 10 . 1 1 9 9 GLN H H 9 7.709 7.709 7.462 0.247 18657 3302 1 10 . 1 1 10 10 LEU N N 10 120.553 120.553 122.247 -1.694 18657 3303 1 10 . 1 1 10 10 LEU HA H 10 4.541 4.541 4.289 0.252 18657 3304 1 10 . 1 1 10 10 LEU C C 10 177.120 177.120 175.525 1.595 18657 3305 1 10 . 1 1 10 10 LEU CA C 10 56.329 56.329 56.120 0.209 18657 3306 1 10 . 1 1 10 10 LEU CB C 10 41.176 41.176 42.114 -0.938 18657 3307 1 10 . 1 1 10 10 LEU H H 10 8.501 8.501 8.498 0.003 18657 3308 1 10 . 1 1 11 11 ILE N N 11 132.775 132.775 128.574 4.201 18657 3309 1 10 . 1 1 11 11 ILE HA H 11 4.604 4.604 4.615 -0.011 18657 3310 1 10 . 1 1 11 11 ILE CA C 11 59.247 59.247 57.707 1.540 18657 3311 1 10 . 1 1 11 11 ILE CB C 11 39.630 39.630 40.447 -0.817 18657 3312 1 10 . 1 1 11 11 ILE H H 11 9.329 9.329 8.918 0.411 18657 3313 1 10 . 1 1 12 12 PRO HA H 12 4.392 4.392 4.449 -0.057 18657 3314 1 10 . 1 1 12 12 PRO C C 12 176.644 176.644 176.288 0.356 18657 3315 1 10 . 1 1 12 12 PRO CA C 12 61.904 61.904 61.762 0.142 18657 3316 1 10 . 1 1 12 12 PRO CB C 12 32.576 32.576 32.205 0.371 18657 3317 1 10 . 1 1 13 13 ILE N N 13 121.774 121.774 119.019 2.755 18657 3318 1 10 . 1 1 13 13 ILE HA H 13 3.380 3.380 3.698 -0.318 18657 3319 1 10 . 1 1 13 13 ILE C C 13 173.621 173.621 176.711 -3.090 18657 3320 1 10 . 1 1 13 13 ILE CA C 13 63.705 63.705 62.221 1.484 18657 3321 1 10 . 1 1 13 13 ILE CB C 13 38.836 38.836 39.024 -0.188 18657 3322 1 10 . 1 1 13 13 ILE H H 13 7.938 7.938 8.080 -0.142 18657 3323 1 10 . 1 1 14 14 ASN N N 14 117.013 117.013 123.764 -6.751 18657 3324 1 10 . 1 1 14 14 ASN HA H 14 4.565 4.565 4.413 0.152 18657 3325 1 10 . 1 1 14 14 ASN C C 14 173.943 173.943 173.680 0.263 18657 3326 1 10 . 1 1 14 14 ASN CA C 14 55.344 55.344 55.108 0.236 18657 3327 1 10 . 1 1 14 14 ASN CB C 14 37.014 37.014 37.151 -0.137 18657 3328 1 10 . 1 1 14 14 ASN H H 14 7.240 7.240 9.181 -1.941 18657 3329 1 10 . 1 1 15 15 THR N N 15 116.580 116.580 115.338 1.242 18657 3330 1 10 . 1 1 15 15 THR HA H 15 3.966 3.966 4.430 -0.464 18657 3331 1 10 . 1 1 15 15 THR C C 15 172.956 172.956 173.726 -0.770 18657 3332 1 10 . 1 1 15 15 THR CA C 15 64.332 64.332 61.902 2.430 18657 3333 1 10 . 1 1 15 15 THR CB C 15 69.532 69.532 69.795 -0.263 18657 3334 1 10 . 1 1 15 15 THR H H 15 7.313 7.313 7.409 -0.096 18657 3335 1 10 . 1 1 16 16 ALA N N 16 128.035 128.035 131.281 -3.246 18657 3336 1 10 . 1 1 16 16 ALA HA H 16 4.246 4.246 4.223 0.023 18657 3337 1 10 . 1 1 16 16 ALA C C 16 176.643 176.643 177.105 -0.462 18657 3338 1 10 . 1 1 16 16 ALA CA C 16 50.750 50.750 52.282 -1.532 18657 3339 1 10 . 1 1 16 16 ALA CB C 16 18.653 18.653 18.514 0.139 18657 3340 1 10 . 1 1 16 16 ALA H H 16 8.545 8.545 8.827 -0.282 18657 3341 1 10 . 1 1 17 17 LEU N N 17 125.094 125.094 126.500 -1.406 18657 3342 1 10 . 1 1 17 17 LEU HA H 17 4.505 4.505 4.278 0.227 18657 3343 1 10 . 1 1 17 17 LEU C C 17 178.848 178.848 177.143 1.705 18657 3344 1 10 . 1 1 17 17 LEU CA C 17 56.127 56.127 55.643 0.484 18657 3345 1 10 . 1 1 17 17 LEU CB C 17 42.573 42.573 42.752 -0.179 18657 3346 1 10 . 1 1 17 17 LEU H H 17 9.114 9.114 8.312 0.802 18657 3347 1 10 . 1 1 18 18 THR N N 18 113.568 113.568 112.839 0.729 18657 3348 1 10 . 1 1 18 18 THR HA H 18 4.623 4.623 4.441 0.182 18657 3349 1 10 . 1 1 18 18 THR C C 18 175.028 175.028 174.656 0.372 18657 3350 1 10 . 1 1 18 18 THR CA C 18 58.935 58.935 60.553 -1.618 18657 3351 1 10 . 1 1 18 18 THR CB C 18 71.185 71.185 71.271 -0.086 18657 3352 1 10 . 1 1 18 18 THR H H 18 7.980 7.980 7.951 0.029 18657 3353 1 10 . 1 1 19 19 LEU N N 19 121.118 121.118 122.070 -0.952 18657 3354 1 10 . 1 1 19 19 LEU HA H 19 3.817 3.817 4.275 -0.458 18657 3355 1 10 . 1 1 19 19 LEU C C 19 179.309 179.309 177.262 2.047 18657 3356 1 10 . 1 1 19 19 LEU CA C 19 58.710 58.710 56.955 1.755 18657 3357 1 10 . 1 1 19 19 LEU CB C 19 42.213 42.213 41.688 0.525 18657 3358 1 10 . 1 1 19 19 LEU H H 19 8.882 8.882 8.620 0.262 18657 3359 1 10 . 1 1 20 20 VAL N N 20 110.454 110.454 111.530 -1.076 18657 3360 1 10 . 1 1 20 20 VAL HA H 20 4.021 4.021 4.121 -0.100 18657 3361 1 10 . 1 1 20 20 VAL C C 20 176.778 176.778 175.722 1.056 18657 3362 1 10 . 1 1 20 20 VAL CA C 20 63.377 63.377 63.923 -0.546 18657 3363 1 10 . 1 1 20 20 VAL CB C 20 31.558 31.558 31.914 -0.356 18657 3364 1 10 . 1 1 20 20 VAL H H 20 7.528 7.528 7.816 -0.288 18657 3365 1 10 . 1 1 21 21 MET N N 21 116.848 116.848 117.597 -0.749 18657 3366 1 10 . 1 1 21 21 MET HA H 21 3.940 3.940 4.580 -0.640 18657 3367 1 10 . 1 1 21 21 MET C C 21 175.514 175.514 175.243 0.271 18657 3368 1 10 . 1 1 21 21 MET CA C 21 57.965 57.965 55.644 2.321 18657 3369 1 10 . 1 1 21 21 MET CB C 21 32.889 32.889 34.869 -1.980 18657 3370 1 10 . 1 1 21 21 MET H H 21 7.518 7.518 8.029 -0.511 18657 3371 1 10 . 1 1 22 22 MET N N 22 116.986 116.986 117.269 -0.283 18657 3372 1 10 . 1 1 22 22 MET HA H 22 4.893 4.893 4.862 0.031 18657 3373 1 10 . 1 1 22 22 MET C C 22 173.981 173.981 174.796 -0.815 18657 3374 1 10 . 1 1 22 22 MET CA C 22 55.373 55.373 54.775 0.598 18657 3375 1 10 . 1 1 22 22 MET CB C 22 37.383 37.383 37.096 0.287 18657 3376 1 10 . 1 1 22 22 MET H H 22 7.709 7.709 7.318 0.391 18657 3377 1 10 . 1 1 23 23 THR N N 23 118.163 118.163 113.037 5.126 18657 3378 1 10 . 1 1 23 23 THR HA H 23 4.788 4.788 4.582 0.206 18657 3379 1 10 . 1 1 23 23 THR C C 23 172.307 172.307 172.521 -0.214 18657 3380 1 10 . 1 1 23 23 THR CA C 23 58.678 58.678 60.269 -1.591 18657 3381 1 10 . 1 1 23 23 THR CB C 23 69.836 69.836 69.999 -0.163 18657 3382 1 10 . 1 1 23 23 THR H H 23 9.041 9.041 8.261 0.780 18657 3383 1 10 . 1 1 24 24 THR N N 24 111.374 111.374 113.507 -2.133 18657 3384 1 10 . 1 1 24 24 THR HA H 24 5.691 5.691 5.054 0.637 18657 3385 1 10 . 1 1 24 24 THR C C 24 174.035 174.035 173.669 0.366 18657 3386 1 10 . 1 1 24 24 THR CA C 24 58.843 58.843 59.901 -1.058 18657 3387 1 10 . 1 1 24 24 THR CB C 24 71.456 71.456 70.661 0.795 18657 3388 1 10 . 1 1 24 24 THR H H 24 8.139 8.139 8.302 -0.163 18657 3389 1 10 . 1 1 25 25 ARG N N 25 119.402 119.402 123.111 -3.709 18657 3390 1 10 . 1 1 25 25 ARG HA H 25 4.575 4.575 4.444 0.131 18657 3391 1 10 . 1 1 25 25 ARG C C 25 174.979 174.979 173.896 1.083 18657 3392 1 10 . 1 1 25 25 ARG CA C 25 55.085 55.085 55.717 -0.632 18657 3393 1 10 . 1 1 25 25 ARG CB C 25 35.806 35.806 33.831 1.975 18657 3394 1 10 . 1 1 25 25 ARG H H 25 8.626 8.626 8.204 0.422 18657 3395 1 10 . 1 1 26 26 VAL N N 26 124.668 124.668 125.027 -0.359 18657 3396 1 10 . 1 1 26 26 VAL HA H 26 4.132 4.132 4.028 0.104 18657 3397 1 10 . 1 1 26 26 VAL C C 26 174.893 174.893 176.372 -1.479 18657 3398 1 10 . 1 1 26 26 VAL CA C 26 64.085 64.085 63.434 0.650 18657 3399 1 10 . 1 1 26 26 VAL CB C 26 30.450 30.450 30.632 -0.182 18657 3400 1 10 . 1 1 26 26 VAL H H 26 9.050 9.050 8.519 0.531 18657 3401 1 10 . 1 1 27 27 VAL N N 27 123.136 123.136 122.541 0.595 18657 3402 1 10 . 1 1 27 27 VAL HA H 27 4.649 4.649 4.511 0.138 18657 3403 1 10 . 1 1 27 27 VAL C C 27 174.747 174.747 174.285 0.462 18657 3404 1 10 . 1 1 27 27 VAL CA C 27 59.232 59.232 59.749 -0.517 18657 3405 1 10 . 1 1 27 27 VAL CB C 27 36.205 36.205 35.265 0.940 18657 3406 1 10 . 1 1 27 27 VAL H H 27 8.266 8.266 7.970 0.296 18657 3407 1 10 . 1 1 28 28 SER N N 28 116.564 116.564 116.176 0.388 18657 3408 1 10 . 1 1 28 28 SER HA H 28 4.535 4.535 4.928 -0.393 18657 3409 1 10 . 1 1 28 28 SER CA C 28 54.880 54.880 55.644 -0.764 18657 3410 1 10 . 1 1 28 28 SER CB C 28 64.922 64.922 64.639 0.283 18657 3411 1 10 . 1 1 28 28 SER H H 28 8.302 8.302 8.345 -0.043 18657 3412 1 10 . 1 1 29 29 PRO HA H 29 4.774 4.774 4.688 0.086 18657 3413 1 10 . 1 1 29 29 PRO C C 29 176.324 176.324 175.952 0.372 18657 3414 1 10 . 1 1 29 29 PRO CA C 29 62.543 62.543 62.688 -0.145 18657 3415 1 10 . 1 1 29 29 PRO CB C 29 34.561 34.561 32.333 2.228 18657 3416 1 10 . 1 1 30 30 THR N N 30 113.418 113.418 112.067 1.351 18657 3417 1 10 . 1 1 30 30 THR HA H 30 3.830 3.830 4.325 -0.495 18657 3418 1 10 . 1 1 30 30 THR C C 30 174.556 174.556 174.556 0.000 18657 3419 1 10 . 1 1 30 30 THR CA C 30 62.846 62.846 61.911 0.935 18657 3420 1 10 . 1 1 30 30 THR CB C 30 69.384 69.384 69.538 -0.154 18657 3421 1 10 . 1 1 30 30 THR H H 30 8.492 8.492 8.233 0.259 18657 3422 1 10 . 1 1 31 31 GLY N N 31 109.224 109.224 109.393 -0.169 18657 3423 1 10 . 1 1 31 31 GLY C C 31 174.722 174.722 173.365 1.357 18657 3424 1 10 . 1 1 31 31 GLY CA C 31 44.844 44.844 43.570 1.274 18657 3425 1 10 . 1 1 31 31 GLY H H 31 8.054 8.054 7.968 0.086 18657 3426 1 10 . 1 1 32 32 ILE N N 32 128.549 128.549 122.611 5.938 18657 3427 1 10 . 1 1 32 32 ILE HA H 32 3.959 3.959 3.992 -0.033 18657 3428 1 10 . 1 1 32 32 ILE CA C 32 61.251 61.251 62.179 -0.928 18657 3429 1 10 . 1 1 32 32 ILE CB C 32 39.665 39.665 37.597 2.068 18657 3430 1 10 . 1 1 32 32 ILE H H 32 8.820 8.820 8.202 0.618 18657 3431 1 10 . 1 1 33 33 PRO HA H 33 4.777 4.777 4.578 0.199 18657 3432 1 10 . 1 1 33 33 PRO C C 33 177.878 177.878 177.282 0.596 18657 3433 1 10 . 1 1 33 33 PRO CA C 33 63.110 63.110 62.439 0.671 18657 3434 1 10 . 1 1 33 33 PRO CB C 33 32.793 32.793 32.174 0.619 18657 3435 1 10 . 1 1 34 34 ALA N N 34 123.151 123.151 126.013 -2.862 18657 3436 1 10 . 1 1 34 34 ALA HA H 34 3.722 3.722 4.044 -0.322 18657 3437 1 10 . 1 1 34 34 ALA C C 34 179.547 179.547 179.500 0.047 18657 3438 1 10 . 1 1 34 34 ALA CA C 34 54.835 54.835 54.867 -0.032 18657 3439 1 10 . 1 1 34 34 ALA CB C 34 19.974 19.974 18.557 1.417 18657 3440 1 10 . 1 1 34 34 ALA H H 34 7.973 7.973 8.798 -0.825 18657 3441 1 10 . 1 1 35 35 GLU N N 35 116.421 116.421 117.278 -0.857 18657 3442 1 10 . 1 1 35 35 GLU HA H 35 4.022 4.022 4.131 -0.109 18657 3443 1 10 . 1 1 35 35 GLU C C 35 176.479 176.479 176.380 0.099 18657 3444 1 10 . 1 1 35 35 GLU CA C 35 58.966 58.966 58.156 0.811 18657 3445 1 10 . 1 1 35 35 GLU CB C 35 28.642 28.642 29.092 -0.450 18657 3446 1 10 . 1 1 35 35 GLU H H 35 9.247 9.247 8.612 0.635 18657 3447 1 10 . 1 1 36 36 ASP N N 36 118.097 118.097 118.789 -0.692 18657 3448 1 10 . 1 1 36 36 ASP HA H 36 4.955 4.955 4.883 0.072 18657 3449 1 10 . 1 1 36 36 ASP C C 36 176.823 176.823 176.705 0.118 18657 3450 1 10 . 1 1 36 36 ASP CA C 36 54.568 54.568 53.870 0.698 18657 3451 1 10 . 1 1 36 36 ASP CB C 36 40.971 40.971 40.541 0.430 18657 3452 1 10 . 1 1 36 36 ASP H H 36 8.146 8.146 8.310 -0.164 18657 3453 1 10 . 1 1 37 37 ILE N N 37 121.429 121.429 122.729 -1.300 18657 3454 1 10 . 1 1 37 37 ILE HA H 37 3.636 3.636 3.976 -0.340 18657 3455 1 10 . 1 1 37 37 ILE CA C 37 68.859 68.859 67.464 1.395 18657 3456 1 10 . 1 1 37 37 ILE CB C 37 35.859 35.859 36.452 -0.593 18657 3457 1 10 . 1 1 37 37 ILE H H 37 7.520 7.520 7.866 -0.346 18657 3458 1 10 . 1 1 38 38 PRO HA H 38 4.183 4.183 4.403 -0.220 18657 3459 1 10 . 1 1 38 38 PRO C C 38 179.052 179.052 176.979 2.073 18657 3460 1 10 . 1 1 38 38 PRO CA C 38 65.906 65.906 64.577 1.329 18657 3461 1 10 . 1 1 38 38 PRO CB C 38 31.030 31.030 31.037 -0.007 18657 3462 1 10 . 1 1 39 39 ARG N N 39 115.064 115.064 116.931 -1.867 18657 3463 1 10 . 1 1 39 39 ARG HA H 39 4.237 4.237 4.385 -0.148 18657 3464 1 10 . 1 1 39 39 ARG C C 39 176.002 176.002 177.850 -1.848 18657 3465 1 10 . 1 1 39 39 ARG CA C 39 57.362 57.362 57.912 -0.550 18657 3466 1 10 . 1 1 39 39 ARG CB C 39 30.510 30.510 31.461 -0.951 18657 3467 1 10 . 1 1 39 39 ARG H H 39 7.367 7.367 7.993 -0.626 18657 3468 1 10 . 1 1 40 40 LEU N N 40 118.158 118.158 118.534 -0.376 18657 3469 1 10 . 1 1 40 40 LEU HA H 40 4.080 4.080 4.364 -0.284 18657 3470 1 10 . 1 1 40 40 LEU C C 40 177.804 177.804 177.080 0.724 18657 3471 1 10 . 1 1 40 40 LEU CA C 40 55.770 55.770 55.501 0.269 18657 3472 1 10 . 1 1 40 40 LEU CB C 40 42.782 42.782 41.872 0.910 18657 3473 1 10 . 1 1 40 40 LEU H H 40 7.782 7.782 8.322 -0.540 18657 3474 1 10 . 1 1 41 41 ILE N N 41 115.608 115.608 118.181 -2.573 18657 3475 1 10 . 1 1 41 41 ILE HA H 41 3.345 3.345 3.791 -0.446 18657 3476 1 10 . 1 1 41 41 ILE C C 41 178.078 178.078 176.238 1.840 18657 3477 1 10 . 1 1 41 41 ILE CA C 41 62.606 62.606 63.309 -0.703 18657 3478 1 10 . 1 1 41 41 ILE CB C 41 36.606 36.606 36.714 -0.108 18657 3479 1 10 . 1 1 41 41 ILE H H 41 6.799 6.799 7.552 -0.753 18657 3480 1 10 . 1 1 42 42 SER N N 42 121.395 121.395 118.474 2.921 18657 3481 1 10 . 1 1 42 42 SER HA H 42 3.991 3.991 4.148 -0.157 18657 3482 1 10 . 1 1 42 42 SER C C 42 173.816 173.816 173.640 0.176 18657 3483 1 10 . 1 1 42 42 SER CA C 42 62.348 62.348 60.276 2.072 18657 3484 1 10 . 1 1 42 42 SER CB C 42 62.947 62.947 63.136 -0.189 18657 3485 1 10 . 1 1 42 42 SER H H 42 9.328 9.328 8.941 0.387 18657 3486 1 10 . 1 1 43 43 MET N N 43 123.672 123.672 122.689 0.983 18657 3487 1 10 . 1 1 43 43 MET HA H 43 4.449 4.449 4.649 -0.200 18657 3488 1 10 . 1 1 43 43 MET C C 43 175.128 175.128 176.265 -1.137 18657 3489 1 10 . 1 1 43 43 MET CA C 43 57.119 57.119 55.117 2.002 18657 3490 1 10 . 1 1 43 43 MET CB C 43 32.831 32.831 33.449 -0.618 18657 3491 1 10 . 1 1 43 43 MET H H 43 8.806 8.806 8.077 0.729 18657 3492 1 10 . 1 1 44 44 GLN N N 44 118.463 118.463 123.055 -4.592 18657 3493 1 10 . 1 1 44 44 GLN HA H 44 5.256 5.256 4.695 0.561 18657 3494 1 10 . 1 1 44 44 GLN C C 44 177.035 177.035 175.843 1.192 18657 3495 1 10 . 1 1 44 44 GLN CA C 44 54.304 54.304 55.528 -1.224 18657 3496 1 10 . 1 1 44 44 GLN CB C 44 32.083 32.083 29.838 2.245 18657 3497 1 10 . 1 1 44 44 GLN H H 44 8.947 8.947 8.740 0.207 18657 3498 1 10 . 1 1 45 45 VAL N N 45 111.238 111.238 112.539 -1.301 18657 3499 1 10 . 1 1 45 45 VAL HA H 45 5.297 5.297 4.746 0.551 18657 3500 1 10 . 1 1 45 45 VAL C C 45 177.962 177.962 175.480 2.482 18657 3501 1 10 . 1 1 45 45 VAL CA C 45 59.950 59.950 59.018 0.932 18657 3502 1 10 . 1 1 45 45 VAL CB C 45 33.437 33.437 34.666 -1.229 18657 3503 1 10 . 1 1 45 45 VAL H H 45 7.564 7.564 7.963 -0.399 18657 3504 1 10 . 1 1 46 46 ASN N N 46 118.782 118.782 122.509 -3.727 18657 3505 1 10 . 1 1 46 46 ASN HA H 46 4.716 4.716 4.763 -0.047 18657 3506 1 10 . 1 1 46 46 ASN C C 46 174.812 174.812 174.394 0.418 18657 3507 1 10 . 1 1 46 46 ASN CA C 46 51.680 51.680 52.639 -0.959 18657 3508 1 10 . 1 1 46 46 ASN CB C 46 39.469 39.469 38.552 0.917 18657 3509 1 10 . 1 1 46 46 ASN H H 46 8.556 8.556 8.583 -0.027 18657 3510 1 10 . 1 1 47 47 GLN N N 47 112.810 112.810 117.147 -4.337 18657 3511 1 10 . 1 1 47 47 GLN HA H 47 4.549 4.549 4.302 0.247 18657 3512 1 10 . 1 1 47 47 GLN C C 47 172.365 172.365 173.690 -1.325 18657 3513 1 10 . 1 1 47 47 GLN CA C 47 53.013 53.013 54.965 -1.952 18657 3514 1 10 . 1 1 47 47 GLN CB C 47 32.841 32.841 31.810 1.031 18657 3515 1 10 . 1 1 47 47 GLN H H 47 7.663 7.663 7.551 0.112 18657 3516 1 10 . 1 1 48 48 VAL N N 48 118.841 118.841 124.582 -5.741 18657 3517 1 10 . 1 1 48 48 VAL HA H 48 4.184 4.184 3.933 0.251 18657 3518 1 10 . 1 1 48 48 VAL C C 48 176.865 176.865 175.561 1.304 18657 3519 1 10 . 1 1 48 48 VAL CA C 48 62.932 62.932 63.796 -0.864 18657 3520 1 10 . 1 1 48 48 VAL CB C 48 31.788 31.788 31.939 -0.151 18657 3521 1 10 . 1 1 48 48 VAL H H 48 8.407 8.407 8.479 -0.072 18657 3522 1 10 . 1 1 49 49 VAL N N 49 130.600 130.600 128.127 2.473 18657 3523 1 10 . 1 1 49 49 VAL HA H 49 4.547 4.547 4.578 -0.031 18657 3524 1 10 . 1 1 49 49 VAL CA C 49 59.419 59.419 59.051 0.368 18657 3525 1 10 . 1 1 49 49 VAL CB C 49 33.236 33.236 33.161 0.075 18657 3526 1 10 . 1 1 49 49 VAL H H 49 9.165 9.165 8.990 0.175 18657 3527 1 10 . 1 1 50 50 PRO HA H 50 4.227 4.227 4.491 -0.264 18657 3528 1 10 . 1 1 50 50 PRO C C 50 176.512 176.512 176.151 0.361 18657 3529 1 10 . 1 1 50 50 PRO CA C 50 62.220 62.220 61.550 0.670 18657 3530 1 10 . 1 1 50 50 PRO CB C 50 32.282 32.282 32.557 -0.275 18657 3531 1 10 . 1 1 51 51 MET N N 51 123.146 123.146 119.453 3.693 18657 3532 1 10 . 1 1 51 51 MET HA H 51 3.322 3.322 4.009 -0.687 18657 3533 1 10 . 1 1 51 51 MET C C 51 176.953 176.953 177.899 -0.946 18657 3534 1 10 . 1 1 51 51 MET CA C 51 58.534 58.534 57.783 0.751 18657 3535 1 10 . 1 1 51 51 MET CB C 51 32.593 32.593 32.929 -0.336 18657 3536 1 10 . 1 1 51 51 MET H H 51 8.598 8.598 8.273 0.325 18657 3537 1 10 . 1 1 52 52 GLY N N 52 114.707 114.707 113.707 1.000 18657 3538 1 10 . 1 1 52 52 GLY C C 52 173.693 173.693 174.381 -0.688 18657 3539 1 10 . 1 1 52 52 GLY CA C 52 45.046 45.046 45.700 -0.654 18657 3540 1 10 . 1 1 52 52 GLY H H 52 8.852 8.852 9.108 -0.256 18657 3541 1 10 . 1 1 53 53 THR N N 53 119.372 119.372 120.770 -1.398 18657 3542 1 10 . 1 1 53 53 THR HA H 53 4.143 4.143 4.271 -0.128 18657 3543 1 10 . 1 1 53 53 THR C C 53 173.482 173.482 174.466 -0.984 18657 3544 1 10 . 1 1 53 53 THR CA C 53 63.363 63.363 62.267 1.096 18657 3545 1 10 . 1 1 53 53 THR CB C 53 69.448 69.448 69.071 0.377 18657 3546 1 10 . 1 1 53 53 THR H H 53 7.706 7.706 7.908 -0.202 18657 3547 1 10 . 1 1 54 54 THR N N 54 125.168 125.168 123.773 1.395 18657 3548 1 10 . 1 1 54 54 THR HA H 54 4.137 4.137 4.141 -0.004 18657 3549 1 10 . 1 1 54 54 THR C C 54 173.018 173.018 174.182 -1.164 18657 3550 1 10 . 1 1 54 54 THR CA C 54 63.314 63.314 64.658 -1.344 18657 3551 1 10 . 1 1 54 54 THR CB C 54 68.846 68.846 69.348 -0.502 18657 3552 1 10 . 1 1 54 54 THR H H 54 8.914 8.914 8.650 0.264 18657 3553 1 10 . 1 1 55 55 LEU N N 55 131.166 131.166 125.864 5.302 18657 3554 1 10 . 1 1 55 55 LEU HA H 55 4.298 4.298 4.443 -0.145 18657 3555 1 10 . 1 1 55 55 LEU C C 55 174.234 174.234 175.897 -1.663 18657 3556 1 10 . 1 1 55 55 LEU CA C 55 55.132 55.132 54.085 1.047 18657 3557 1 10 . 1 1 55 55 LEU CB C 55 42.317 42.317 42.139 0.178 18657 3558 1 10 . 1 1 55 55 LEU H H 55 9.006 9.006 8.849 0.157 18657 3559 1 10 . 1 1 56 56 MET N N 56 126.627 126.627 123.003 3.624 18657 3560 1 10 . 1 1 56 56 MET HA H 56 5.043 5.043 4.853 0.190 18657 3561 1 10 . 1 1 56 56 MET CA C 56 51.058 51.058 52.513 -1.455 18657 3562 1 10 . 1 1 56 56 MET CB C 56 31.593 31.593 33.470 -1.877 18657 3563 1 10 . 1 1 56 56 MET H H 56 8.028 8.028 8.614 -0.586 18657 3564 1 10 . 1 1 57 57 PRO HA H 57 3.695 3.695 3.521 0.174 18657 3565 1 10 . 1 1 57 57 PRO C C 57 176.780 176.780 176.249 0.531 18657 3566 1 10 . 1 1 57 57 PRO CA C 57 66.142 66.142 64.305 1.837 18657 3567 1 10 . 1 1 57 57 PRO CB C 57 32.795 32.795 31.451 1.343 18657 3568 1 10 . 1 1 58 58 ASP N N 58 110.360 110.360 116.397 -6.037 18657 3569 1 10 . 1 1 58 58 ASP HA H 58 4.436 4.436 4.694 -0.258 18657 3570 1 10 . 1 1 58 58 ASP C C 58 176.945 176.945 175.802 1.143 18657 3571 1 10 . 1 1 58 58 ASP CA C 58 54.660 54.660 54.892 -0.232 18657 3572 1 10 . 1 1 58 58 ASP CB C 58 39.716 39.716 40.766 -1.050 18657 3573 1 10 . 1 1 58 58 ASP H H 58 8.036 8.036 8.497 -0.461 18657 3574 1 10 . 1 1 59 59 MET N N 59 116.951 116.951 117.007 -0.056 18657 3575 1 10 . 1 1 59 59 MET HA H 59 4.642 4.642 4.797 -0.155 18657 3576 1 10 . 1 1 59 59 MET C C 59 174.817 174.817 174.756 0.061 18657 3577 1 10 . 1 1 59 59 MET CA C 59 56.757 56.757 55.329 1.428 18657 3578 1 10 . 1 1 59 59 MET CB C 59 33.587 33.587 34.501 -0.913 18657 3579 1 10 . 1 1 59 59 MET H H 59 8.066 8.066 7.329 0.737 18657 3580 1 10 . 1 1 60 60 VAL N N 60 117.470 117.470 120.448 -2.978 18657 3581 1 10 . 1 1 60 60 VAL HA H 60 4.351 4.351 4.412 -0.061 18657 3582 1 10 . 1 1 60 60 VAL C C 60 176.067 176.067 175.299 0.768 18657 3583 1 10 . 1 1 60 60 VAL CA C 60 61.229 61.229 60.856 0.373 18657 3584 1 10 . 1 1 60 60 VAL CB C 60 33.146 33.146 35.095 -1.949 18657 3585 1 10 . 1 1 60 60 VAL H H 60 7.109 7.109 7.255 -0.146 18657 3586 1 10 . 1 1 61 61 LYS N N 61 128.839 128.839 128.151 0.688 18657 3587 1 10 . 1 1 61 61 LYS HA H 61 4.122 4.122 4.473 -0.351 18657 3588 1 10 . 1 1 61 61 LYS C C 61 177.652 177.652 177.010 0.642 18657 3589 1 10 . 1 1 61 61 LYS CA C 61 58.146 58.146 56.164 1.982 18657 3590 1 10 . 1 1 61 61 LYS CB C 61 32.336 32.336 32.764 -0.428 18657 3591 1 10 . 1 1 61 61 LYS H H 61 9.069 9.069 7.996 1.073 18657 3592 1 10 . 1 1 62 62 GLY N N 62 113.363 113.363 109.329 4.034 18657 3593 1 10 . 1 1 62 62 GLY C C 62 174.621 174.621 174.517 0.104 18657 3594 1 10 . 1 1 62 62 GLY CA C 62 45.506 45.506 46.279 -0.773 18657 3595 1 10 . 1 1 62 62 GLY H H 62 9.094 9.094 8.676 0.418 18657 3596 1 10 . 1 1 63 63 TYR N N 63 120.959 120.959 119.452 1.507 18657 3597 1 10 . 1 1 63 63 TYR HA H 63 3.971 3.971 4.464 -0.493 18657 3598 1 10 . 1 1 63 63 TYR C C 63 174.228 174.228 174.736 -0.508 18657 3599 1 10 . 1 1 63 63 TYR CA C 63 60.374 60.374 58.312 2.062 18657 3600 1 10 . 1 1 63 63 TYR CB C 63 39.040 39.040 39.861 -0.821 18657 3601 1 10 . 1 1 63 63 TYR H H 63 7.564 7.564 7.408 0.156 18657 3602 1 10 . 1 1 64 64 ALA N N 64 129.533 129.533 122.984 6.549 18657 3603 1 10 . 1 1 64 64 ALA HA H 64 4.425 4.425 4.516 -0.091 18657 3604 1 10 . 1 1 64 64 ALA CA C 64 49.480 49.480 50.777 -1.297 18657 3605 1 10 . 1 1 64 64 ALA CB C 64 19.620 19.620 19.229 0.391 18657 3606 1 10 . 1 1 64 64 ALA H H 64 7.546 7.546 6.640 0.906 18657 3607 1 10 . 1 1 65 65 PRO HA H 65 4.250 4.250 4.512 -0.262 18657 3608 1 10 . 1 1 65 65 PRO C C 65 175.380 175.380 176.897 -1.517 18657 3609 1 10 . 1 1 65 65 PRO CA C 65 62.712 62.712 62.279 0.433 18657 3610 1 10 . 1 1 65 65 PRO CB C 65 32.210 32.210 32.434 -0.224 18657 3611 1 11 . 1 1 1 1 ASN HA H 1 4.703 4.703 4.815 -0.112 18657 3612 1 11 . 1 1 1 1 ASN C C 1 174.258 174.258 174.148 0.110 18657 3613 1 11 . 1 1 1 1 ASN CA C 1 53.192 53.192 53.014 0.179 18657 3614 1 11 . 1 1 1 1 ASN CB C 1 38.954 38.954 39.026 -0.072 18657 3615 1 11 . 1 1 2 2 GLN N N 2 120.041 120.041 123.147 -3.106 18657 3616 1 11 . 1 1 2 2 GLN HA H 2 4.323 4.323 4.105 0.218 18657 3617 1 11 . 1 1 2 2 GLN C C 2 176.004 176.004 175.217 0.787 18657 3618 1 11 . 1 1 2 2 GLN CA C 2 55.835 55.835 56.237 -0.402 18657 3619 1 11 . 1 1 2 2 GLN CB C 2 29.640 29.640 29.081 0.559 18657 3620 1 11 . 1 1 2 2 GLN H H 2 8.597 8.597 8.589 0.008 18657 3621 1 11 . 1 1 3 3 GLU N N 3 124.166 124.166 125.755 -1.589 18657 3622 1 11 . 1 1 3 3 GLU HA H 3 4.294 4.294 4.572 -0.278 18657 3623 1 11 . 1 1 3 3 GLU C C 3 177.305 177.305 175.150 2.155 18657 3624 1 11 . 1 1 3 3 GLU CA C 3 56.597 56.597 55.109 1.488 18657 3625 1 11 . 1 1 3 3 GLU CB C 3 32.196 32.196 31.481 0.715 18657 3626 1 11 . 1 1 3 3 GLU H H 3 9.025 9.025 8.602 0.423 18657 3627 1 11 . 1 1 4 4 SER N N 4 118.222 118.222 120.754 -2.532 18657 3628 1 11 . 1 1 4 4 SER HA H 4 5.412 5.412 5.115 0.297 18657 3629 1 11 . 1 1 4 4 SER C C 4 171.713 171.713 173.933 -2.220 18657 3630 1 11 . 1 1 4 4 SER CA C 4 57.271 57.271 58.039 -0.768 18657 3631 1 11 . 1 1 4 4 SER CB C 4 66.319 66.319 65.016 1.303 18657 3632 1 11 . 1 1 4 4 SER H H 4 8.925 8.925 8.166 0.759 18657 3633 1 11 . 1 1 5 5 VAL N N 5 122.304 122.304 124.164 -1.860 18657 3634 1 11 . 1 1 5 5 VAL HA H 5 4.156 4.156 4.476 -0.320 18657 3635 1 11 . 1 1 5 5 VAL C C 5 174.325 174.325 175.683 -1.358 18657 3636 1 11 . 1 1 5 5 VAL CA C 5 63.408 63.408 63.872 -0.464 18657 3637 1 11 . 1 1 5 5 VAL CB C 5 31.916 31.916 31.893 0.023 18657 3638 1 11 . 1 1 5 5 VAL H H 5 8.506 8.506 8.783 -0.277 18657 3639 1 11 . 1 1 6 6 VAL N N 6 126.068 126.068 126.298 -0.230 18657 3640 1 11 . 1 1 6 6 VAL HA H 6 4.512 4.512 4.277 0.235 18657 3641 1 11 . 1 1 6 6 VAL C C 6 174.958 174.958 174.807 0.151 18657 3642 1 11 . 1 1 6 6 VAL CA C 6 59.365 59.365 60.027 -0.662 18657 3643 1 11 . 1 1 6 6 VAL CB C 6 36.189 36.189 34.518 1.671 18657 3644 1 11 . 1 1 6 6 VAL H H 6 8.637 8.637 8.580 0.057 18657 3645 1 11 . 1 1 7 7 ALA N N 7 126.887 126.887 129.439 -2.552 18657 3646 1 11 . 1 1 7 7 ALA HA H 7 4.441 4.441 4.264 0.177 18657 3647 1 11 . 1 1 7 7 ALA C C 7 178.642 178.642 177.905 0.737 18657 3648 1 11 . 1 1 7 7 ALA CA C 7 53.079 53.079 52.623 0.456 18657 3649 1 11 . 1 1 7 7 ALA CB C 7 19.055 19.055 18.537 0.518 18657 3650 1 11 . 1 1 7 7 ALA H H 7 8.318 8.318 8.100 0.218 18657 3651 1 11 . 1 1 8 8 ALA N N 8 129.962 129.962 127.742 2.220 18657 3652 1 11 . 1 1 8 8 ALA HA H 8 4.162 4.162 4.118 0.044 18657 3653 1 11 . 1 1 8 8 ALA C C 8 174.975 174.975 177.062 -2.087 18657 3654 1 11 . 1 1 8 8 ALA CA C 8 52.229 52.229 53.921 -1.692 18657 3655 1 11 . 1 1 8 8 ALA CB C 8 19.350 19.350 19.264 0.086 18657 3656 1 11 . 1 1 8 8 ALA H H 8 9.248 9.248 8.225 1.023 18657 3657 1 11 . 1 1 9 9 GLN N N 9 111.285 111.285 112.657 -1.372 18657 3658 1 11 . 1 1 9 9 GLN HA H 9 4.510 4.510 4.409 0.101 18657 3659 1 11 . 1 1 9 9 GLN C C 9 172.373 172.373 174.336 -1.963 18657 3660 1 11 . 1 1 9 9 GLN CA C 9 52.613 52.613 53.702 -1.089 18657 3661 1 11 . 1 1 9 9 GLN CB C 9 32.673 32.673 30.691 1.982 18657 3662 1 11 . 1 1 9 9 GLN H H 9 7.709 7.709 7.479 0.230 18657 3663 1 11 . 1 1 10 10 LEU N N 10 120.553 120.553 122.063 -1.510 18657 3664 1 11 . 1 1 10 10 LEU HA H 10 4.541 4.541 4.207 0.334 18657 3665 1 11 . 1 1 10 10 LEU C C 10 177.120 177.120 175.607 1.513 18657 3666 1 11 . 1 1 10 10 LEU CA C 10 56.329 56.329 56.375 -0.046 18657 3667 1 11 . 1 1 10 10 LEU CB C 10 41.176 41.176 42.351 -1.175 18657 3668 1 11 . 1 1 10 10 LEU H H 10 8.501 8.501 8.522 -0.021 18657 3669 1 11 . 1 1 11 11 ILE N N 11 132.775 132.775 126.854 5.921 18657 3670 1 11 . 1 1 11 11 ILE HA H 11 4.604 4.604 4.578 0.026 18657 3671 1 11 . 1 1 11 11 ILE CA C 11 59.247 59.247 57.841 1.406 18657 3672 1 11 . 1 1 11 11 ILE CB C 11 39.630 39.630 41.340 -1.710 18657 3673 1 11 . 1 1 11 11 ILE H H 11 9.329 9.329 8.599 0.730 18657 3674 1 11 . 1 1 12 12 PRO HA H 12 4.392 4.392 4.472 -0.080 18657 3675 1 11 . 1 1 12 12 PRO C C 12 176.644 176.644 176.317 0.327 18657 3676 1 11 . 1 1 12 12 PRO CA C 12 61.904 61.904 61.686 0.218 18657 3677 1 11 . 1 1 12 12 PRO CB C 12 32.576 32.576 32.211 0.365 18657 3678 1 11 . 1 1 13 13 ILE N N 13 121.774 121.774 120.337 1.437 18657 3679 1 11 . 1 1 13 13 ILE HA H 13 3.380 3.380 3.737 -0.357 18657 3680 1 11 . 1 1 13 13 ILE C C 13 173.621 173.621 176.215 -2.594 18657 3681 1 11 . 1 1 13 13 ILE CA C 13 63.705 63.705 62.578 1.127 18657 3682 1 11 . 1 1 13 13 ILE CB C 13 38.836 38.836 38.570 0.266 18657 3683 1 11 . 1 1 13 13 ILE H H 13 7.938 7.938 8.135 -0.197 18657 3684 1 11 . 1 1 14 14 ASN N N 14 117.013 117.013 121.760 -4.747 18657 3685 1 11 . 1 1 14 14 ASN HA H 14 4.565 4.565 4.427 0.138 18657 3686 1 11 . 1 1 14 14 ASN C C 14 173.943 173.943 174.078 -0.135 18657 3687 1 11 . 1 1 14 14 ASN CA C 14 55.344 55.344 54.155 1.189 18657 3688 1 11 . 1 1 14 14 ASN CB C 14 37.014 37.014 36.669 0.345 18657 3689 1 11 . 1 1 14 14 ASN H H 14 7.240 7.240 9.065 -1.825 18657 3690 1 11 . 1 1 15 15 THR N N 15 116.580 116.580 117.024 -0.444 18657 3691 1 11 . 1 1 15 15 THR HA H 15 3.966 3.966 4.428 -0.462 18657 3692 1 11 . 1 1 15 15 THR C C 15 172.956 172.956 173.871 -0.915 18657 3693 1 11 . 1 1 15 15 THR CA C 15 64.332 64.332 62.178 2.154 18657 3694 1 11 . 1 1 15 15 THR CB C 15 69.532 69.532 69.751 -0.219 18657 3695 1 11 . 1 1 15 15 THR H H 15 7.313 7.313 7.536 -0.223 18657 3696 1 11 . 1 1 16 16 ALA N N 16 128.035 128.035 131.776 -3.741 18657 3697 1 11 . 1 1 16 16 ALA HA H 16 4.246 4.246 4.133 0.113 18657 3698 1 11 . 1 1 16 16 ALA C C 16 176.643 176.643 177.208 -0.565 18657 3699 1 11 . 1 1 16 16 ALA CA C 16 50.750 50.750 52.242 -1.492 18657 3700 1 11 . 1 1 16 16 ALA CB C 16 18.653 18.653 18.540 0.113 18657 3701 1 11 . 1 1 16 16 ALA H H 16 8.545 8.545 8.655 -0.110 18657 3702 1 11 . 1 1 17 17 LEU N N 17 125.094 125.094 126.441 -1.347 18657 3703 1 11 . 1 1 17 17 LEU HA H 17 4.505 4.505 4.195 0.310 18657 3704 1 11 . 1 1 17 17 LEU C C 17 178.848 178.848 176.669 2.179 18657 3705 1 11 . 1 1 17 17 LEU CA C 17 56.127 56.127 55.904 0.223 18657 3706 1 11 . 1 1 17 17 LEU CB C 17 42.573 42.573 42.625 -0.052 18657 3707 1 11 . 1 1 17 17 LEU H H 17 9.114 9.114 8.306 0.808 18657 3708 1 11 . 1 1 18 18 THR N N 18 113.568 113.568 112.999 0.569 18657 3709 1 11 . 1 1 18 18 THR HA H 18 4.623 4.623 4.437 0.186 18657 3710 1 11 . 1 1 18 18 THR C C 18 175.028 175.028 174.586 0.442 18657 3711 1 11 . 1 1 18 18 THR CA C 18 58.935 58.935 60.566 -1.631 18657 3712 1 11 . 1 1 18 18 THR CB C 18 71.185 71.185 71.275 -0.090 18657 3713 1 11 . 1 1 18 18 THR H H 18 7.980 7.980 7.956 0.024 18657 3714 1 11 . 1 1 19 19 LEU N N 19 121.118 121.118 122.836 -1.718 18657 3715 1 11 . 1 1 19 19 LEU HA H 19 3.817 3.817 4.371 -0.554 18657 3716 1 11 . 1 1 19 19 LEU C C 19 179.309 179.309 176.035 3.274 18657 3717 1 11 . 1 1 19 19 LEU CA C 19 58.710 58.710 56.516 2.194 18657 3718 1 11 . 1 1 19 19 LEU CB C 19 42.213 42.213 42.021 0.192 18657 3719 1 11 . 1 1 19 19 LEU H H 19 8.882 8.882 8.635 0.247 18657 3720 1 11 . 1 1 20 20 VAL N N 20 110.454 110.454 111.074 -0.620 18657 3721 1 11 . 1 1 20 20 VAL HA H 20 4.021 4.021 4.081 -0.060 18657 3722 1 11 . 1 1 20 20 VAL C C 20 176.778 176.778 175.420 1.358 18657 3723 1 11 . 1 1 20 20 VAL CA C 20 63.377 63.377 62.543 0.834 18657 3724 1 11 . 1 1 20 20 VAL CB C 20 31.558 31.558 31.739 -0.181 18657 3725 1 11 . 1 1 20 20 VAL H H 20 7.528 7.528 7.597 -0.069 18657 3726 1 11 . 1 1 21 21 MET N N 21 116.848 116.848 117.942 -1.094 18657 3727 1 11 . 1 1 21 21 MET HA H 21 3.940 3.940 4.603 -0.663 18657 3728 1 11 . 1 1 21 21 MET C C 21 175.514 175.514 175.205 0.309 18657 3729 1 11 . 1 1 21 21 MET CA C 21 57.965 57.965 55.747 2.218 18657 3730 1 11 . 1 1 21 21 MET CB C 21 32.889 32.889 34.692 -1.803 18657 3731 1 11 . 1 1 21 21 MET H H 21 7.518 7.518 8.030 -0.512 18657 3732 1 11 . 1 1 22 22 MET N N 22 116.986 116.986 117.526 -0.540 18657 3733 1 11 . 1 1 22 22 MET HA H 22 4.893 4.893 4.856 0.037 18657 3734 1 11 . 1 1 22 22 MET C C 22 173.981 173.981 174.869 -0.888 18657 3735 1 11 . 1 1 22 22 MET CA C 22 55.373 55.373 54.745 0.628 18657 3736 1 11 . 1 1 22 22 MET CB C 22 37.383 37.383 36.951 0.432 18657 3737 1 11 . 1 1 22 22 MET H H 22 7.709 7.709 7.417 0.292 18657 3738 1 11 . 1 1 23 23 THR N N 23 118.163 118.163 112.995 5.168 18657 3739 1 11 . 1 1 23 23 THR HA H 23 4.788 4.788 4.644 0.144 18657 3740 1 11 . 1 1 23 23 THR C C 23 172.307 172.307 172.482 -0.175 18657 3741 1 11 . 1 1 23 23 THR CA C 23 58.678 58.678 60.199 -1.521 18657 3742 1 11 . 1 1 23 23 THR CB C 23 69.836 69.836 70.657 -0.821 18657 3743 1 11 . 1 1 23 23 THR H H 23 9.041 9.041 8.184 0.857 18657 3744 1 11 . 1 1 24 24 THR N N 24 111.374 111.374 112.805 -1.431 18657 3745 1 11 . 1 1 24 24 THR HA H 24 5.691 5.691 5.168 0.523 18657 3746 1 11 . 1 1 24 24 THR C C 24 174.035 174.035 173.649 0.386 18657 3747 1 11 . 1 1 24 24 THR CA C 24 58.843 58.843 59.710 -0.867 18657 3748 1 11 . 1 1 24 24 THR CB C 24 71.456 71.456 71.381 0.075 18657 3749 1 11 . 1 1 24 24 THR H H 24 8.139 8.139 8.307 -0.168 18657 3750 1 11 . 1 1 25 25 ARG N N 25 119.402 119.402 123.731 -4.329 18657 3751 1 11 . 1 1 25 25 ARG HA H 25 4.575 4.575 4.468 0.107 18657 3752 1 11 . 1 1 25 25 ARG C C 25 174.979 174.979 173.840 1.139 18657 3753 1 11 . 1 1 25 25 ARG CA C 25 55.085 55.085 55.501 -0.416 18657 3754 1 11 . 1 1 25 25 ARG CB C 25 35.806 35.806 34.269 1.537 18657 3755 1 11 . 1 1 25 25 ARG H H 25 8.626 8.626 8.319 0.307 18657 3756 1 11 . 1 1 26 26 VAL N N 26 124.668 124.668 125.700 -1.032 18657 3757 1 11 . 1 1 26 26 VAL HA H 26 4.132 4.132 4.201 -0.069 18657 3758 1 11 . 1 1 26 26 VAL C C 26 174.893 174.893 176.180 -1.287 18657 3759 1 11 . 1 1 26 26 VAL CA C 26 64.085 64.085 62.520 1.565 18657 3760 1 11 . 1 1 26 26 VAL CB C 26 30.450 30.450 29.915 0.535 18657 3761 1 11 . 1 1 26 26 VAL H H 26 9.050 9.050 8.434 0.616 18657 3762 1 11 . 1 1 27 27 VAL N N 27 123.136 123.136 123.708 -0.572 18657 3763 1 11 . 1 1 27 27 VAL HA H 27 4.649 4.649 4.596 0.053 18657 3764 1 11 . 1 1 27 27 VAL C C 27 174.747 174.747 174.121 0.626 18657 3765 1 11 . 1 1 27 27 VAL CA C 27 59.232 59.232 59.170 0.062 18657 3766 1 11 . 1 1 27 27 VAL CB C 27 36.205 36.205 35.136 1.069 18657 3767 1 11 . 1 1 27 27 VAL H H 27 8.266 8.266 7.827 0.439 18657 3768 1 11 . 1 1 28 28 SER N N 28 116.564 116.564 115.835 0.729 18657 3769 1 11 . 1 1 28 28 SER HA H 28 4.535 4.535 4.922 -0.387 18657 3770 1 11 . 1 1 28 28 SER CA C 28 54.880 54.880 55.285 -0.405 18657 3771 1 11 . 1 1 28 28 SER CB C 28 64.922 64.922 64.602 0.320 18657 3772 1 11 . 1 1 28 28 SER H H 28 8.302 8.302 8.304 -0.002 18657 3773 1 11 . 1 1 29 29 PRO HA H 29 4.774 4.774 4.701 0.073 18657 3774 1 11 . 1 1 29 29 PRO C C 29 176.324 176.324 176.042 0.282 18657 3775 1 11 . 1 1 29 29 PRO CA C 29 62.543 62.543 62.580 -0.037 18657 3776 1 11 . 1 1 29 29 PRO CB C 29 34.561 34.561 32.619 1.942 18657 3777 1 11 . 1 1 30 30 THR N N 30 113.418 113.418 111.816 1.602 18657 3778 1 11 . 1 1 30 30 THR HA H 30 3.830 3.830 4.341 -0.511 18657 3779 1 11 . 1 1 30 30 THR C C 30 174.556 174.556 174.221 0.335 18657 3780 1 11 . 1 1 30 30 THR CA C 30 62.846 62.846 61.690 1.156 18657 3781 1 11 . 1 1 30 30 THR CB C 30 69.384 69.384 69.712 -0.328 18657 3782 1 11 . 1 1 30 30 THR H H 30 8.492 8.492 8.200 0.292 18657 3783 1 11 . 1 1 31 31 GLY N N 31 109.224 109.224 109.507 -0.283 18657 3784 1 11 . 1 1 31 31 GLY C C 31 174.722 174.722 173.399 1.323 18657 3785 1 11 . 1 1 31 31 GLY CA C 31 44.844 44.844 43.434 1.411 18657 3786 1 11 . 1 1 31 31 GLY H H 31 8.054 8.054 8.076 -0.022 18657 3787 1 11 . 1 1 32 32 ILE N N 32 128.549 128.549 122.602 5.947 18657 3788 1 11 . 1 1 32 32 ILE HA H 32 3.959 3.959 3.996 -0.037 18657 3789 1 11 . 1 1 32 32 ILE CA C 32 61.251 61.251 62.163 -0.912 18657 3790 1 11 . 1 1 32 32 ILE CB C 32 39.665 39.665 37.586 2.079 18657 3791 1 11 . 1 1 32 32 ILE H H 32 8.820 8.820 8.131 0.689 18657 3792 1 11 . 1 1 33 33 PRO HA H 33 4.777 4.777 4.582 0.195 18657 3793 1 11 . 1 1 33 33 PRO C C 33 177.878 177.878 177.278 0.600 18657 3794 1 11 . 1 1 33 33 PRO CA C 33 63.110 63.110 62.456 0.654 18657 3795 1 11 . 1 1 33 33 PRO CB C 33 32.793 32.793 32.157 0.636 18657 3796 1 11 . 1 1 34 34 ALA N N 34 123.151 123.151 126.175 -3.024 18657 3797 1 11 . 1 1 34 34 ALA HA H 34 3.722 3.722 4.042 -0.320 18657 3798 1 11 . 1 1 34 34 ALA C C 34 179.547 179.547 179.489 0.058 18657 3799 1 11 . 1 1 34 34 ALA CA C 34 54.835 54.835 54.886 -0.051 18657 3800 1 11 . 1 1 34 34 ALA CB C 34 19.974 19.974 18.556 1.418 18657 3801 1 11 . 1 1 34 34 ALA H H 34 7.973 7.973 8.825 -0.852 18657 3802 1 11 . 1 1 35 35 GLU N N 35 116.421 116.421 116.318 0.103 18657 3803 1 11 . 1 1 35 35 GLU HA H 35 4.022 4.022 4.108 -0.086 18657 3804 1 11 . 1 1 35 35 GLU C C 35 176.479 176.479 176.820 -0.341 18657 3805 1 11 . 1 1 35 35 GLU CA C 35 58.966 58.966 57.883 1.083 18657 3806 1 11 . 1 1 35 35 GLU CB C 35 28.642 28.642 29.115 -0.473 18657 3807 1 11 . 1 1 35 35 GLU H H 35 9.247 9.247 8.733 0.514 18657 3808 1 11 . 1 1 36 36 ASP N N 36 118.097 118.097 118.000 0.097 18657 3809 1 11 . 1 1 36 36 ASP HA H 36 4.955 4.955 4.904 0.051 18657 3810 1 11 . 1 1 36 36 ASP C C 36 176.823 176.823 176.423 0.400 18657 3811 1 11 . 1 1 36 36 ASP CA C 36 54.568 54.568 53.863 0.705 18657 3812 1 11 . 1 1 36 36 ASP CB C 36 40.971 40.971 41.314 -0.343 18657 3813 1 11 . 1 1 36 36 ASP H H 36 8.146 8.146 8.116 0.030 18657 3814 1 11 . 1 1 37 37 ILE N N 37 121.429 121.429 122.720 -1.291 18657 3815 1 11 . 1 1 37 37 ILE HA H 37 3.636 3.636 3.965 -0.329 18657 3816 1 11 . 1 1 37 37 ILE CA C 37 68.859 68.859 67.516 1.343 18657 3817 1 11 . 1 1 37 37 ILE CB C 37 35.859 35.859 36.405 -0.546 18657 3818 1 11 . 1 1 37 37 ILE H H 37 7.520 7.520 7.939 -0.419 18657 3819 1 11 . 1 1 38 38 PRO HA H 38 4.183 4.183 4.400 -0.217 18657 3820 1 11 . 1 1 38 38 PRO C C 38 179.052 179.052 177.305 1.747 18657 3821 1 11 . 1 1 38 38 PRO CA C 38 65.906 65.906 64.116 1.790 18657 3822 1 11 . 1 1 38 38 PRO CB C 38 31.030 31.030 30.854 0.176 18657 3823 1 11 . 1 1 39 39 ARG N N 39 115.064 115.064 117.656 -2.592 18657 3824 1 11 . 1 1 39 39 ARG HA H 39 4.237 4.237 4.360 -0.123 18657 3825 1 11 . 1 1 39 39 ARG C C 39 176.002 176.002 177.850 -1.848 18657 3826 1 11 . 1 1 39 39 ARG CA C 39 57.362 57.362 57.493 -0.131 18657 3827 1 11 . 1 1 39 39 ARG CB C 39 30.510 30.510 30.994 -0.484 18657 3828 1 11 . 1 1 39 39 ARG H H 39 7.367 7.367 7.956 -0.589 18657 3829 1 11 . 1 1 40 40 LEU N N 40 118.158 118.158 118.538 -0.380 18657 3830 1 11 . 1 1 40 40 LEU HA H 40 4.080 4.080 4.375 -0.295 18657 3831 1 11 . 1 1 40 40 LEU C C 40 177.804 177.804 177.069 0.735 18657 3832 1 11 . 1 1 40 40 LEU CA C 40 55.770 55.770 55.439 0.331 18657 3833 1 11 . 1 1 40 40 LEU CB C 40 42.782 42.782 41.910 0.872 18657 3834 1 11 . 1 1 40 40 LEU H H 40 7.782 7.782 8.312 -0.530 18657 3835 1 11 . 1 1 41 41 ILE N N 41 115.608 115.608 118.235 -2.627 18657 3836 1 11 . 1 1 41 41 ILE HA H 41 3.345 3.345 3.805 -0.460 18657 3837 1 11 . 1 1 41 41 ILE C C 41 178.078 178.078 176.403 1.675 18657 3838 1 11 . 1 1 41 41 ILE CA C 41 62.606 62.606 63.351 -0.745 18657 3839 1 11 . 1 1 41 41 ILE CB C 41 36.606 36.606 36.646 -0.040 18657 3840 1 11 . 1 1 41 41 ILE H H 41 6.799 6.799 7.549 -0.750 18657 3841 1 11 . 1 1 42 42 SER N N 42 121.395 121.395 118.164 3.231 18657 3842 1 11 . 1 1 42 42 SER HA H 42 3.991 3.991 4.103 -0.112 18657 3843 1 11 . 1 1 42 42 SER C C 42 173.816 173.816 173.580 0.236 18657 3844 1 11 . 1 1 42 42 SER CA C 42 62.348 62.348 59.943 2.405 18657 3845 1 11 . 1 1 42 42 SER CB C 42 62.947 62.947 63.112 -0.166 18657 3846 1 11 . 1 1 42 42 SER H H 42 9.328 9.328 8.993 0.335 18657 3847 1 11 . 1 1 43 43 MET N N 43 123.672 123.672 122.783 0.889 18657 3848 1 11 . 1 1 43 43 MET HA H 43 4.449 4.449 4.659 -0.210 18657 3849 1 11 . 1 1 43 43 MET C C 43 175.128 175.128 176.049 -0.921 18657 3850 1 11 . 1 1 43 43 MET CA C 43 57.119 57.119 55.159 1.960 18657 3851 1 11 . 1 1 43 43 MET CB C 43 32.831 32.831 33.510 -0.679 18657 3852 1 11 . 1 1 43 43 MET H H 43 8.806 8.806 8.091 0.715 18657 3853 1 11 . 1 1 44 44 GLN N N 44 118.463 118.463 122.575 -4.112 18657 3854 1 11 . 1 1 44 44 GLN HA H 44 5.256 5.256 4.752 0.504 18657 3855 1 11 . 1 1 44 44 GLN C C 44 177.035 177.035 175.649 1.386 18657 3856 1 11 . 1 1 44 44 GLN CA C 44 54.304 54.304 55.521 -1.217 18657 3857 1 11 . 1 1 44 44 GLN CB C 44 32.083 32.083 30.049 2.034 18657 3858 1 11 . 1 1 44 44 GLN H H 44 8.947 8.947 8.717 0.230 18657 3859 1 11 . 1 1 45 45 VAL N N 45 111.238 111.238 113.843 -2.605 18657 3860 1 11 . 1 1 45 45 VAL HA H 45 5.297 5.297 4.668 0.629 18657 3861 1 11 . 1 1 45 45 VAL C C 45 177.962 177.962 175.668 2.294 18657 3862 1 11 . 1 1 45 45 VAL CA C 45 59.950 59.950 58.891 1.059 18657 3863 1 11 . 1 1 45 45 VAL CB C 45 33.437 33.437 34.003 -0.566 18657 3864 1 11 . 1 1 45 45 VAL H H 45 7.564 7.564 7.990 -0.426 18657 3865 1 11 . 1 1 46 46 ASN N N 46 118.782 118.782 122.191 -3.409 18657 3866 1 11 . 1 1 46 46 ASN HA H 46 4.716 4.716 4.802 -0.086 18657 3867 1 11 . 1 1 46 46 ASN C C 46 174.812 174.812 174.533 0.279 18657 3868 1 11 . 1 1 46 46 ASN CA C 46 51.680 51.680 52.599 -0.919 18657 3869 1 11 . 1 1 46 46 ASN CB C 46 39.469 39.469 38.563 0.906 18657 3870 1 11 . 1 1 46 46 ASN H H 46 8.556 8.556 8.413 0.143 18657 3871 1 11 . 1 1 47 47 GLN N N 47 112.810 112.810 117.119 -4.309 18657 3872 1 11 . 1 1 47 47 GLN HA H 47 4.549 4.549 4.297 0.252 18657 3873 1 11 . 1 1 47 47 GLN C C 47 172.365 172.365 173.674 -1.309 18657 3874 1 11 . 1 1 47 47 GLN CA C 47 53.013 53.013 54.825 -1.812 18657 3875 1 11 . 1 1 47 47 GLN CB C 47 32.841 32.841 31.793 1.048 18657 3876 1 11 . 1 1 47 47 GLN H H 47 7.663 7.663 7.628 0.035 18657 3877 1 11 . 1 1 48 48 VAL N N 48 118.841 118.841 124.462 -5.621 18657 3878 1 11 . 1 1 48 48 VAL HA H 48 4.184 4.184 3.975 0.209 18657 3879 1 11 . 1 1 48 48 VAL C C 48 176.865 176.865 175.370 1.495 18657 3880 1 11 . 1 1 48 48 VAL CA C 48 62.932 62.932 63.742 -0.810 18657 3881 1 11 . 1 1 48 48 VAL CB C 48 31.788 31.788 31.367 0.421 18657 3882 1 11 . 1 1 48 48 VAL H H 48 8.407 8.407 8.468 -0.061 18657 3883 1 11 . 1 1 49 49 VAL N N 49 130.600 130.600 128.691 1.909 18657 3884 1 11 . 1 1 49 49 VAL HA H 49 4.547 4.547 4.587 -0.040 18657 3885 1 11 . 1 1 49 49 VAL CA C 49 59.419 59.419 58.364 1.055 18657 3886 1 11 . 1 1 49 49 VAL CB C 49 33.236 33.236 32.675 0.561 18657 3887 1 11 . 1 1 49 49 VAL H H 49 9.165 9.165 9.038 0.127 18657 3888 1 11 . 1 1 50 50 PRO HA H 50 4.227 4.227 4.573 -0.346 18657 3889 1 11 . 1 1 50 50 PRO C C 50 176.512 176.512 176.191 0.321 18657 3890 1 11 . 1 1 50 50 PRO CA C 50 62.220 62.220 61.505 0.715 18657 3891 1 11 . 1 1 50 50 PRO CB C 50 32.282 32.282 32.520 -0.238 18657 3892 1 11 . 1 1 51 51 MET N N 51 123.146 123.146 119.581 3.565 18657 3893 1 11 . 1 1 51 51 MET HA H 51 3.322 3.322 3.971 -0.649 18657 3894 1 11 . 1 1 51 51 MET C C 51 176.953 176.953 177.764 -0.811 18657 3895 1 11 . 1 1 51 51 MET CA C 51 58.534 58.534 57.673 0.861 18657 3896 1 11 . 1 1 51 51 MET CB C 51 32.593 32.593 32.990 -0.397 18657 3897 1 11 . 1 1 51 51 MET H H 51 8.598 8.598 8.322 0.276 18657 3898 1 11 . 1 1 52 52 GLY N N 52 114.707 114.707 114.313 0.394 18657 3899 1 11 . 1 1 52 52 GLY C C 52 173.693 173.693 174.505 -0.812 18657 3900 1 11 . 1 1 52 52 GLY CA C 52 45.046 45.046 45.716 -0.670 18657 3901 1 11 . 1 1 52 52 GLY H H 52 8.852 8.852 9.149 -0.297 18657 3902 1 11 . 1 1 53 53 THR N N 53 119.372 119.372 120.677 -1.305 18657 3903 1 11 . 1 1 53 53 THR HA H 53 4.143 4.143 4.352 -0.209 18657 3904 1 11 . 1 1 53 53 THR C C 53 173.482 173.482 174.589 -1.107 18657 3905 1 11 . 1 1 53 53 THR CA C 53 63.363 63.363 62.847 0.516 18657 3906 1 11 . 1 1 53 53 THR CB C 53 69.448 69.448 68.996 0.452 18657 3907 1 11 . 1 1 53 53 THR H H 53 7.706 7.706 7.745 -0.039 18657 3908 1 11 . 1 1 54 54 THR N N 54 125.168 125.168 123.423 1.745 18657 3909 1 11 . 1 1 54 54 THR HA H 54 4.137 4.137 4.161 -0.024 18657 3910 1 11 . 1 1 54 54 THR C C 54 173.018 173.018 174.151 -1.133 18657 3911 1 11 . 1 1 54 54 THR CA C 54 63.314 63.314 64.922 -1.608 18657 3912 1 11 . 1 1 54 54 THR CB C 54 68.846 68.846 69.336 -0.490 18657 3913 1 11 . 1 1 54 54 THR H H 54 8.914 8.914 8.666 0.248 18657 3914 1 11 . 1 1 55 55 LEU N N 55 131.166 131.166 126.695 4.471 18657 3915 1 11 . 1 1 55 55 LEU HA H 55 4.298 4.298 4.510 -0.212 18657 3916 1 11 . 1 1 55 55 LEU C C 55 174.234 174.234 175.668 -1.434 18657 3917 1 11 . 1 1 55 55 LEU CA C 55 55.132 55.132 54.332 0.800 18657 3918 1 11 . 1 1 55 55 LEU CB C 55 42.317 42.317 43.707 -1.390 18657 3919 1 11 . 1 1 55 55 LEU H H 55 9.006 9.006 8.926 0.080 18657 3920 1 11 . 1 1 56 56 MET N N 56 126.627 126.627 123.447 3.180 18657 3921 1 11 . 1 1 56 56 MET HA H 56 5.043 5.043 4.878 0.165 18657 3922 1 11 . 1 1 56 56 MET CA C 56 51.058 51.058 52.485 -1.427 18657 3923 1 11 . 1 1 56 56 MET CB C 56 31.593 31.593 33.099 -1.506 18657 3924 1 11 . 1 1 56 56 MET H H 56 8.028 8.028 8.590 -0.562 18657 3925 1 11 . 1 1 57 57 PRO HA H 57 3.695 3.695 3.491 0.204 18657 3926 1 11 . 1 1 57 57 PRO C C 57 176.780 176.780 176.399 0.381 18657 3927 1 11 . 1 1 57 57 PRO CA C 57 66.142 66.142 64.398 1.744 18657 3928 1 11 . 1 1 57 57 PRO CB C 57 32.795 32.795 31.376 1.419 18657 3929 1 11 . 1 1 58 58 ASP N N 58 110.360 110.360 116.386 -6.026 18657 3930 1 11 . 1 1 58 58 ASP HA H 58 4.436 4.436 4.617 -0.181 18657 3931 1 11 . 1 1 58 58 ASP C C 58 176.945 176.945 175.887 1.058 18657 3932 1 11 . 1 1 58 58 ASP CA C 58 54.660 54.660 53.890 0.770 18657 3933 1 11 . 1 1 58 58 ASP CB C 58 39.716 39.716 40.591 -0.875 18657 3934 1 11 . 1 1 58 58 ASP H H 58 8.036 8.036 8.489 -0.453 18657 3935 1 11 . 1 1 59 59 MET N N 59 116.951 116.951 117.397 -0.446 18657 3936 1 11 . 1 1 59 59 MET HA H 59 4.642 4.642 4.814 -0.172 18657 3937 1 11 . 1 1 59 59 MET C C 59 174.817 174.817 174.617 0.200 18657 3938 1 11 . 1 1 59 59 MET CA C 59 56.757 56.757 55.155 1.602 18657 3939 1 11 . 1 1 59 59 MET CB C 59 33.587 33.587 34.312 -0.725 18657 3940 1 11 . 1 1 59 59 MET H H 59 8.066 8.066 7.346 0.720 18657 3941 1 11 . 1 1 60 60 VAL N N 60 117.470 117.470 120.620 -3.150 18657 3942 1 11 . 1 1 60 60 VAL HA H 60 4.351 4.351 4.465 -0.114 18657 3943 1 11 . 1 1 60 60 VAL C C 60 176.067 176.067 175.375 0.692 18657 3944 1 11 . 1 1 60 60 VAL CA C 60 61.229 61.229 60.577 0.652 18657 3945 1 11 . 1 1 60 60 VAL CB C 60 33.146 33.146 34.789 -1.643 18657 3946 1 11 . 1 1 60 60 VAL H H 60 7.109 7.109 7.310 -0.201 18657 3947 1 11 . 1 1 61 61 LYS N N 61 128.839 128.839 127.906 0.933 18657 3948 1 11 . 1 1 61 61 LYS HA H 61 4.122 4.122 4.440 -0.318 18657 3949 1 11 . 1 1 61 61 LYS C C 61 177.652 177.652 177.048 0.604 18657 3950 1 11 . 1 1 61 61 LYS CA C 61 58.146 58.146 56.237 1.909 18657 3951 1 11 . 1 1 61 61 LYS CB C 61 32.336 32.336 32.729 -0.393 18657 3952 1 11 . 1 1 61 61 LYS H H 61 9.069 9.069 8.144 0.925 18657 3953 1 11 . 1 1 62 62 GLY N N 62 113.363 113.363 109.363 4.000 18657 3954 1 11 . 1 1 62 62 GLY C C 62 174.621 174.621 174.485 0.136 18657 3955 1 11 . 1 1 62 62 GLY CA C 62 45.506 45.506 46.270 -0.764 18657 3956 1 11 . 1 1 62 62 GLY H H 62 9.094 9.094 8.676 0.418 18657 3957 1 11 . 1 1 63 63 TYR N N 63 120.959 120.959 119.479 1.480 18657 3958 1 11 . 1 1 63 63 TYR HA H 63 3.971 3.971 4.484 -0.513 18657 3959 1 11 . 1 1 63 63 TYR C C 63 174.228 174.228 174.723 -0.495 18657 3960 1 11 . 1 1 63 63 TYR CA C 63 60.374 60.374 58.236 2.138 18657 3961 1 11 . 1 1 63 63 TYR CB C 63 39.040 39.040 39.919 -0.878 18657 3962 1 11 . 1 1 63 63 TYR H H 63 7.564 7.564 7.397 0.167 18657 3963 1 11 . 1 1 64 64 ALA N N 64 129.533 129.533 122.881 6.652 18657 3964 1 11 . 1 1 64 64 ALA HA H 64 4.425 4.425 4.528 -0.103 18657 3965 1 11 . 1 1 64 64 ALA CA C 64 49.480 49.480 50.833 -1.353 18657 3966 1 11 . 1 1 64 64 ALA CB C 64 19.620 19.620 19.137 0.482 18657 3967 1 11 . 1 1 64 64 ALA H H 64 7.546 7.546 6.663 0.882 18657 3968 1 11 . 1 1 65 65 PRO HA H 65 4.250 4.250 4.506 -0.256 18657 3969 1 11 . 1 1 65 65 PRO C C 65 175.380 175.380 176.811 -1.431 18657 3970 1 11 . 1 1 65 65 PRO CA C 65 62.712 62.712 62.327 0.386 18657 3971 1 11 . 1 1 65 65 PRO CB C 65 32.210 32.210 32.431 -0.222 18657 3972 1 12 . 1 1 1 1 ASN HA H 1 4.703 4.703 4.770 -0.067 18657 3973 1 12 . 1 1 1 1 ASN C C 1 174.258 174.258 173.063 1.195 18657 3974 1 12 . 1 1 1 1 ASN CA C 1 53.192 53.192 52.449 0.743 18657 3975 1 12 . 1 1 1 1 ASN CB C 1 38.954 38.954 39.764 -0.810 18657 3976 1 12 . 1 1 2 2 GLN N N 2 120.041 120.041 123.191 -3.150 18657 3977 1 12 . 1 1 2 2 GLN HA H 2 4.323 4.323 4.091 0.232 18657 3978 1 12 . 1 1 2 2 GLN C C 2 176.004 176.004 175.634 0.370 18657 3979 1 12 . 1 1 2 2 GLN CA C 2 55.835 55.835 56.428 -0.593 18657 3980 1 12 . 1 1 2 2 GLN CB C 2 29.640 29.640 28.861 0.779 18657 3981 1 12 . 1 1 2 2 GLN H H 2 8.597 8.597 8.420 0.177 18657 3982 1 12 . 1 1 3 3 GLU N N 3 124.166 124.166 126.345 -2.179 18657 3983 1 12 . 1 1 3 3 GLU HA H 3 4.294 4.294 4.493 -0.199 18657 3984 1 12 . 1 1 3 3 GLU C C 3 177.305 177.305 175.505 1.800 18657 3985 1 12 . 1 1 3 3 GLU CA C 3 56.597 56.597 55.464 1.133 18657 3986 1 12 . 1 1 3 3 GLU CB C 3 32.196 32.196 31.304 0.892 18657 3987 1 12 . 1 1 3 3 GLU H H 3 9.025 9.025 8.554 0.471 18657 3988 1 12 . 1 1 4 4 SER N N 4 118.222 118.222 120.391 -2.169 18657 3989 1 12 . 1 1 4 4 SER HA H 4 5.412 5.412 5.104 0.308 18657 3990 1 12 . 1 1 4 4 SER C C 4 171.713 171.713 173.854 -2.141 18657 3991 1 12 . 1 1 4 4 SER CA C 4 57.271 57.271 57.863 -0.592 18657 3992 1 12 . 1 1 4 4 SER CB C 4 66.319 66.319 65.129 1.190 18657 3993 1 12 . 1 1 4 4 SER H H 4 8.925 8.925 8.274 0.651 18657 3994 1 12 . 1 1 5 5 VAL N N 5 122.304 122.304 123.526 -1.222 18657 3995 1 12 . 1 1 5 5 VAL HA H 5 4.156 4.156 4.498 -0.342 18657 3996 1 12 . 1 1 5 5 VAL C C 5 174.325 174.325 175.653 -1.328 18657 3997 1 12 . 1 1 5 5 VAL CA C 5 63.408 63.408 63.626 -0.218 18657 3998 1 12 . 1 1 5 5 VAL CB C 5 31.916 31.916 31.459 0.458 18657 3999 1 12 . 1 1 5 5 VAL H H 5 8.506 8.506 8.789 -0.283 18657 4000 1 12 . 1 1 6 6 VAL N N 6 126.068 126.068 126.797 -0.729 18657 4001 1 12 . 1 1 6 6 VAL HA H 6 4.512 4.512 4.279 0.233 18657 4002 1 12 . 1 1 6 6 VAL C C 6 174.958 174.958 174.699 0.259 18657 4003 1 12 . 1 1 6 6 VAL CA C 6 59.365 59.365 60.223 -0.858 18657 4004 1 12 . 1 1 6 6 VAL CB C 6 36.189 36.189 34.301 1.888 18657 4005 1 12 . 1 1 6 6 VAL H H 6 8.637 8.637 8.785 -0.148 18657 4006 1 12 . 1 1 7 7 ALA N N 7 126.887 126.887 129.826 -2.939 18657 4007 1 12 . 1 1 7 7 ALA HA H 7 4.441 4.441 4.175 0.266 18657 4008 1 12 . 1 1 7 7 ALA C C 7 178.642 178.642 177.881 0.761 18657 4009 1 12 . 1 1 7 7 ALA CA C 7 53.079 53.079 52.500 0.579 18657 4010 1 12 . 1 1 7 7 ALA CB C 7 19.055 19.055 18.706 0.349 18657 4011 1 12 . 1 1 7 7 ALA H H 7 8.318 8.318 8.067 0.251 18657 4012 1 12 . 1 1 8 8 ALA N N 8 129.962 129.962 127.651 2.311 18657 4013 1 12 . 1 1 8 8 ALA HA H 8 4.162 4.162 4.119 0.043 18657 4014 1 12 . 1 1 8 8 ALA C C 8 174.975 174.975 177.053 -2.078 18657 4015 1 12 . 1 1 8 8 ALA CA C 8 52.229 52.229 53.908 -1.679 18657 4016 1 12 . 1 1 8 8 ALA CB C 8 19.350 19.350 19.252 0.098 18657 4017 1 12 . 1 1 8 8 ALA H H 8 9.248 9.248 8.226 1.022 18657 4018 1 12 . 1 1 9 9 GLN N N 9 111.285 111.285 112.393 -1.108 18657 4019 1 12 . 1 1 9 9 GLN HA H 9 4.510 4.510 4.422 0.088 18657 4020 1 12 . 1 1 9 9 GLN C C 9 172.373 172.373 174.233 -1.860 18657 4021 1 12 . 1 1 9 9 GLN CA C 9 52.613 52.613 53.457 -0.844 18657 4022 1 12 . 1 1 9 9 GLN CB C 9 32.673 32.673 30.685 1.988 18657 4023 1 12 . 1 1 9 9 GLN H H 9 7.709 7.709 7.553 0.156 18657 4024 1 12 . 1 1 10 10 LEU N N 10 120.553 120.553 122.234 -1.681 18657 4025 1 12 . 1 1 10 10 LEU HA H 10 4.541 4.541 4.282 0.259 18657 4026 1 12 . 1 1 10 10 LEU C C 10 177.120 177.120 175.577 1.543 18657 4027 1 12 . 1 1 10 10 LEU CA C 10 56.329 56.329 56.173 0.156 18657 4028 1 12 . 1 1 10 10 LEU CB C 10 41.176 41.176 42.230 -1.054 18657 4029 1 12 . 1 1 10 10 LEU H H 10 8.501 8.501 8.421 0.080 18657 4030 1 12 . 1 1 11 11 ILE N N 11 132.775 132.775 126.797 5.978 18657 4031 1 12 . 1 1 11 11 ILE HA H 11 4.604 4.604 4.644 -0.040 18657 4032 1 12 . 1 1 11 11 ILE CA C 11 59.247 59.247 57.556 1.691 18657 4033 1 12 . 1 1 11 11 ILE CB C 11 39.630 39.630 39.960 -0.330 18657 4034 1 12 . 1 1 11 11 ILE H H 11 9.329 9.329 8.865 0.464 18657 4035 1 12 . 1 1 12 12 PRO HA H 12 4.392 4.392 4.444 -0.052 18657 4036 1 12 . 1 1 12 12 PRO C C 12 176.644 176.644 176.281 0.363 18657 4037 1 12 . 1 1 12 12 PRO CA C 12 61.904 61.904 61.712 0.192 18657 4038 1 12 . 1 1 12 12 PRO CB C 12 32.576 32.576 32.189 0.387 18657 4039 1 12 . 1 1 13 13 ILE N N 13 121.774 121.774 119.967 1.807 18657 4040 1 12 . 1 1 13 13 ILE HA H 13 3.380 3.380 3.688 -0.308 18657 4041 1 12 . 1 1 13 13 ILE C C 13 173.621 173.621 176.266 -2.645 18657 4042 1 12 . 1 1 13 13 ILE CA C 13 63.705 63.705 62.689 1.016 18657 4043 1 12 . 1 1 13 13 ILE CB C 13 38.836 38.836 38.655 0.181 18657 4044 1 12 . 1 1 13 13 ILE H H 13 7.938 7.938 8.132 -0.194 18657 4045 1 12 . 1 1 14 14 ASN N N 14 117.013 117.013 123.416 -6.403 18657 4046 1 12 . 1 1 14 14 ASN HA H 14 4.565 4.565 4.426 0.139 18657 4047 1 12 . 1 1 14 14 ASN C C 14 173.943 173.943 173.944 -0.001 18657 4048 1 12 . 1 1 14 14 ASN CA C 14 55.344 55.344 54.814 0.530 18657 4049 1 12 . 1 1 14 14 ASN CB C 14 37.014 37.014 36.326 0.688 18657 4050 1 12 . 1 1 14 14 ASN H H 14 7.240 7.240 9.195 -1.955 18657 4051 1 12 . 1 1 15 15 THR N N 15 116.580 116.580 115.905 0.675 18657 4052 1 12 . 1 1 15 15 THR HA H 15 3.966 3.966 4.440 -0.474 18657 4053 1 12 . 1 1 15 15 THR C C 15 172.956 172.956 173.729 -0.773 18657 4054 1 12 . 1 1 15 15 THR CA C 15 64.332 64.332 61.094 3.237 18657 4055 1 12 . 1 1 15 15 THR CB C 15 69.532 69.532 69.784 -0.252 18657 4056 1 12 . 1 1 15 15 THR H H 15 7.313 7.313 7.549 -0.236 18657 4057 1 12 . 1 1 16 16 ALA N N 16 128.035 128.035 131.911 -3.876 18657 4058 1 12 . 1 1 16 16 ALA HA H 16 4.246 4.246 4.104 0.142 18657 4059 1 12 . 1 1 16 16 ALA C C 16 176.643 176.643 176.570 0.073 18657 4060 1 12 . 1 1 16 16 ALA CA C 16 50.750 50.750 52.432 -1.682 18657 4061 1 12 . 1 1 16 16 ALA CB C 16 18.653 18.653 18.398 0.255 18657 4062 1 12 . 1 1 16 16 ALA H H 16 8.545 8.545 8.634 -0.089 18657 4063 1 12 . 1 1 17 17 LEU N N 17 125.094 125.094 125.512 -0.418 18657 4064 1 12 . 1 1 17 17 LEU HA H 17 4.505 4.505 4.261 0.244 18657 4065 1 12 . 1 1 17 17 LEU C C 17 178.848 178.848 177.012 1.836 18657 4066 1 12 . 1 1 17 17 LEU CA C 17 56.127 56.127 55.787 0.340 18657 4067 1 12 . 1 1 17 17 LEU CB C 17 42.573 42.573 42.577 -0.004 18657 4068 1 12 . 1 1 17 17 LEU H H 17 9.114 9.114 8.313 0.801 18657 4069 1 12 . 1 1 18 18 THR N N 18 113.568 113.568 111.916 1.652 18657 4070 1 12 . 1 1 18 18 THR HA H 18 4.623 4.623 4.569 0.054 18657 4071 1 12 . 1 1 18 18 THR C C 18 175.028 175.028 174.988 0.040 18657 4072 1 12 . 1 1 18 18 THR CA C 18 58.935 58.935 59.915 -0.980 18657 4073 1 12 . 1 1 18 18 THR CB C 18 71.185 71.185 71.276 -0.091 18657 4074 1 12 . 1 1 18 18 THR H H 18 7.980 7.980 8.112 -0.132 18657 4075 1 12 . 1 1 19 19 LEU N N 19 121.118 121.118 121.675 -0.557 18657 4076 1 12 . 1 1 19 19 LEU HA H 19 3.817 3.817 4.257 -0.440 18657 4077 1 12 . 1 1 19 19 LEU C C 19 179.309 179.309 176.568 2.741 18657 4078 1 12 . 1 1 19 19 LEU CA C 19 58.710 58.710 56.548 2.162 18657 4079 1 12 . 1 1 19 19 LEU CB C 19 42.213 42.213 41.780 0.433 18657 4080 1 12 . 1 1 19 19 LEU H H 19 8.882 8.882 8.640 0.242 18657 4081 1 12 . 1 1 20 20 VAL N N 20 110.454 110.454 110.134 0.320 18657 4082 1 12 . 1 1 20 20 VAL HA H 20 4.021 4.021 4.140 -0.119 18657 4083 1 12 . 1 1 20 20 VAL C C 20 176.778 176.778 175.913 0.865 18657 4084 1 12 . 1 1 20 20 VAL CA C 20 63.377 63.377 63.116 0.261 18657 4085 1 12 . 1 1 20 20 VAL CB C 20 31.558 31.558 31.973 -0.415 18657 4086 1 12 . 1 1 20 20 VAL H H 20 7.528 7.528 7.608 -0.080 18657 4087 1 12 . 1 1 21 21 MET N N 21 116.848 116.848 118.004 -1.156 18657 4088 1 12 . 1 1 21 21 MET HA H 21 3.940 3.940 4.586 -0.646 18657 4089 1 12 . 1 1 21 21 MET C C 21 175.514 175.514 175.192 0.322 18657 4090 1 12 . 1 1 21 21 MET CA C 21 57.965 57.965 55.648 2.317 18657 4091 1 12 . 1 1 21 21 MET CB C 21 32.889 32.889 34.717 -1.828 18657 4092 1 12 . 1 1 21 21 MET H H 21 7.518 7.518 8.044 -0.526 18657 4093 1 12 . 1 1 22 22 MET N N 22 116.986 116.986 117.089 -0.103 18657 4094 1 12 . 1 1 22 22 MET HA H 22 4.893 4.893 4.882 0.011 18657 4095 1 12 . 1 1 22 22 MET C C 22 173.981 173.981 174.768 -0.787 18657 4096 1 12 . 1 1 22 22 MET CA C 22 55.373 55.373 54.780 0.593 18657 4097 1 12 . 1 1 22 22 MET CB C 22 37.383 37.383 37.191 0.193 18657 4098 1 12 . 1 1 22 22 MET H H 22 7.709 7.709 7.407 0.302 18657 4099 1 12 . 1 1 23 23 THR N N 23 118.163 118.163 113.019 5.144 18657 4100 1 12 . 1 1 23 23 THR HA H 23 4.788 4.788 4.658 0.130 18657 4101 1 12 . 1 1 23 23 THR C C 23 172.307 172.307 172.567 -0.260 18657 4102 1 12 . 1 1 23 23 THR CA C 23 58.678 58.678 60.313 -1.635 18657 4103 1 12 . 1 1 23 23 THR CB C 23 69.836 69.836 69.993 -0.157 18657 4104 1 12 . 1 1 23 23 THR H H 23 9.041 9.041 8.149 0.892 18657 4105 1 12 . 1 1 24 24 THR N N 24 111.374 111.374 113.107 -1.733 18657 4106 1 12 . 1 1 24 24 THR HA H 24 5.691 5.691 5.187 0.504 18657 4107 1 12 . 1 1 24 24 THR C C 24 174.035 174.035 173.595 0.440 18657 4108 1 12 . 1 1 24 24 THR CA C 24 58.843 58.843 59.725 -0.882 18657 4109 1 12 . 1 1 24 24 THR CB C 24 71.456 71.456 71.239 0.217 18657 4110 1 12 . 1 1 24 24 THR H H 24 8.139 8.139 8.335 -0.196 18657 4111 1 12 . 1 1 25 25 ARG N N 25 119.402 119.402 123.698 -4.296 18657 4112 1 12 . 1 1 25 25 ARG HA H 25 4.575 4.575 4.559 0.016 18657 4113 1 12 . 1 1 25 25 ARG C C 25 174.979 174.979 173.861 1.118 18657 4114 1 12 . 1 1 25 25 ARG CA C 25 55.085 55.085 55.515 -0.430 18657 4115 1 12 . 1 1 25 25 ARG CB C 25 35.806 35.806 34.134 1.672 18657 4116 1 12 . 1 1 25 25 ARG H H 25 8.626 8.626 8.299 0.327 18657 4117 1 12 . 1 1 26 26 VAL N N 26 124.668 124.668 124.916 -0.248 18657 4118 1 12 . 1 1 26 26 VAL HA H 26 4.132 4.132 4.004 0.128 18657 4119 1 12 . 1 1 26 26 VAL C C 26 174.893 174.893 175.985 -1.092 18657 4120 1 12 . 1 1 26 26 VAL CA C 26 64.085 64.085 63.500 0.585 18657 4121 1 12 . 1 1 26 26 VAL CB C 26 30.450 30.450 30.718 -0.268 18657 4122 1 12 . 1 1 26 26 VAL H H 26 9.050 9.050 8.411 0.640 18657 4123 1 12 . 1 1 27 27 VAL N N 27 123.136 123.136 121.913 1.223 18657 4124 1 12 . 1 1 27 27 VAL HA H 27 4.649 4.649 4.583 0.066 18657 4125 1 12 . 1 1 27 27 VAL C C 27 174.747 174.747 173.871 0.876 18657 4126 1 12 . 1 1 27 27 VAL CA C 27 59.232 59.232 59.471 -0.239 18657 4127 1 12 . 1 1 27 27 VAL CB C 27 36.205 36.205 34.982 1.223 18657 4128 1 12 . 1 1 27 27 VAL H H 27 8.266 8.266 7.938 0.328 18657 4129 1 12 . 1 1 28 28 SER N N 28 116.564 116.564 116.331 0.233 18657 4130 1 12 . 1 1 28 28 SER HA H 28 4.535 4.535 4.960 -0.425 18657 4131 1 12 . 1 1 28 28 SER CA C 28 54.880 54.880 55.712 -0.831 18657 4132 1 12 . 1 1 28 28 SER CB C 28 64.922 64.922 64.856 0.065 18657 4133 1 12 . 1 1 28 28 SER H H 28 8.302 8.302 8.382 -0.080 18657 4134 1 12 . 1 1 29 29 PRO HA H 29 4.774 4.774 4.690 0.084 18657 4135 1 12 . 1 1 29 29 PRO C C 29 176.324 176.324 175.938 0.386 18657 4136 1 12 . 1 1 29 29 PRO CA C 29 62.543 62.543 62.716 -0.173 18657 4137 1 12 . 1 1 29 29 PRO CB C 29 34.561 34.561 32.251 2.310 18657 4138 1 12 . 1 1 30 30 THR N N 30 113.418 113.418 112.183 1.235 18657 4139 1 12 . 1 1 30 30 THR HA H 30 3.830 3.830 4.344 -0.514 18657 4140 1 12 . 1 1 30 30 THR C C 30 174.556 174.556 174.414 0.142 18657 4141 1 12 . 1 1 30 30 THR CA C 30 62.846 62.846 61.934 0.912 18657 4142 1 12 . 1 1 30 30 THR CB C 30 69.384 69.384 69.796 -0.411 18657 4143 1 12 . 1 1 30 30 THR H H 30 8.492 8.492 8.221 0.271 18657 4144 1 12 . 1 1 31 31 GLY N N 31 109.224 109.224 109.243 -0.019 18657 4145 1 12 . 1 1 31 31 GLY C C 31 174.722 174.722 173.375 1.347 18657 4146 1 12 . 1 1 31 31 GLY CA C 31 44.844 44.844 43.583 1.262 18657 4147 1 12 . 1 1 31 31 GLY H H 31 8.054 8.054 7.981 0.073 18657 4148 1 12 . 1 1 32 32 ILE N N 32 128.549 128.549 122.480 6.069 18657 4149 1 12 . 1 1 32 32 ILE HA H 32 3.959 3.959 4.014 -0.055 18657 4150 1 12 . 1 1 32 32 ILE CA C 32 61.251 61.251 62.175 -0.924 18657 4151 1 12 . 1 1 32 32 ILE CB C 32 39.665 39.665 37.527 2.138 18657 4152 1 12 . 1 1 32 32 ILE H H 32 8.820 8.820 7.942 0.878 18657 4153 1 12 . 1 1 33 33 PRO HA H 33 4.777 4.777 4.596 0.181 18657 4154 1 12 . 1 1 33 33 PRO C C 33 177.878 177.878 177.358 0.520 18657 4155 1 12 . 1 1 33 33 PRO CA C 33 63.110 63.110 62.357 0.753 18657 4156 1 12 . 1 1 33 33 PRO CB C 33 32.793 32.793 32.180 0.613 18657 4157 1 12 . 1 1 34 34 ALA N N 34 123.151 123.151 125.805 -2.654 18657 4158 1 12 . 1 1 34 34 ALA HA H 34 3.722 3.722 4.043 -0.321 18657 4159 1 12 . 1 1 34 34 ALA C C 34 179.547 179.547 179.499 0.048 18657 4160 1 12 . 1 1 34 34 ALA CA C 34 54.835 54.835 54.857 -0.022 18657 4161 1 12 . 1 1 34 34 ALA CB C 34 19.974 19.974 18.558 1.417 18657 4162 1 12 . 1 1 34 34 ALA H H 34 7.973 7.973 8.714 -0.741 18657 4163 1 12 . 1 1 35 35 GLU N N 35 116.421 116.421 117.307 -0.886 18657 4164 1 12 . 1 1 35 35 GLU HA H 35 4.022 4.022 4.126 -0.104 18657 4165 1 12 . 1 1 35 35 GLU C C 35 176.479 176.479 176.407 0.072 18657 4166 1 12 . 1 1 35 35 GLU CA C 35 58.966 58.966 58.165 0.801 18657 4167 1 12 . 1 1 35 35 GLU CB C 35 28.642 28.642 29.105 -0.463 18657 4168 1 12 . 1 1 35 35 GLU H H 35 9.247 9.247 8.605 0.642 18657 4169 1 12 . 1 1 36 36 ASP N N 36 118.097 118.097 118.788 -0.691 18657 4170 1 12 . 1 1 36 36 ASP HA H 36 4.955 4.955 4.886 0.069 18657 4171 1 12 . 1 1 36 36 ASP C C 36 176.823 176.823 176.703 0.120 18657 4172 1 12 . 1 1 36 36 ASP CA C 36 54.568 54.568 53.836 0.732 18657 4173 1 12 . 1 1 36 36 ASP CB C 36 40.971 40.971 40.504 0.467 18657 4174 1 12 . 1 1 36 36 ASP H H 36 8.146 8.146 8.301 -0.155 18657 4175 1 12 . 1 1 37 37 ILE N N 37 121.429 121.429 122.796 -1.367 18657 4176 1 12 . 1 1 37 37 ILE HA H 37 3.636 3.636 3.976 -0.340 18657 4177 1 12 . 1 1 37 37 ILE CA C 37 68.859 68.859 67.567 1.292 18657 4178 1 12 . 1 1 37 37 ILE CB C 37 35.859 35.859 36.373 -0.514 18657 4179 1 12 . 1 1 37 37 ILE H H 37 7.520 7.520 7.934 -0.414 18657 4180 1 12 . 1 1 38 38 PRO HA H 38 4.183 4.183 4.409 -0.226 18657 4181 1 12 . 1 1 38 38 PRO C C 38 179.052 179.052 177.273 1.779 18657 4182 1 12 . 1 1 38 38 PRO CA C 38 65.906 65.906 64.165 1.741 18657 4183 1 12 . 1 1 38 38 PRO CB C 38 31.030 31.030 30.824 0.206 18657 4184 1 12 . 1 1 39 39 ARG N N 39 115.064 115.064 117.587 -2.523 18657 4185 1 12 . 1 1 39 39 ARG HA H 39 4.237 4.237 4.347 -0.110 18657 4186 1 12 . 1 1 39 39 ARG C C 39 176.002 176.002 178.073 -2.071 18657 4187 1 12 . 1 1 39 39 ARG CA C 39 57.362 57.362 57.755 -0.393 18657 4188 1 12 . 1 1 39 39 ARG CB C 39 30.510 30.510 30.937 -0.427 18657 4189 1 12 . 1 1 39 39 ARG H H 39 7.367 7.367 7.885 -0.518 18657 4190 1 12 . 1 1 40 40 LEU N N 40 118.158 118.158 119.330 -1.172 18657 4191 1 12 . 1 1 40 40 LEU HA H 40 4.080 4.080 4.318 -0.238 18657 4192 1 12 . 1 1 40 40 LEU C C 40 177.804 177.804 177.180 0.624 18657 4193 1 12 . 1 1 40 40 LEU CA C 40 55.770 55.770 55.892 -0.122 18657 4194 1 12 . 1 1 40 40 LEU CB C 40 42.782 42.782 41.727 1.055 18657 4195 1 12 . 1 1 40 40 LEU H H 40 7.782 7.782 8.397 -0.615 18657 4196 1 12 . 1 1 41 41 ILE N N 41 115.608 115.608 118.185 -2.577 18657 4197 1 12 . 1 1 41 41 ILE HA H 41 3.345 3.345 3.736 -0.391 18657 4198 1 12 . 1 1 41 41 ILE C C 41 178.078 178.078 175.680 2.398 18657 4199 1 12 . 1 1 41 41 ILE CA C 41 62.606 62.606 63.775 -1.169 18657 4200 1 12 . 1 1 41 41 ILE CB C 41 36.606 36.606 36.420 0.186 18657 4201 1 12 . 1 1 41 41 ILE H H 41 6.799 6.799 7.528 -0.729 18657 4202 1 12 . 1 1 42 42 SER N N 42 121.395 121.395 116.802 4.593 18657 4203 1 12 . 1 1 42 42 SER HA H 42 3.991 3.991 4.077 -0.086 18657 4204 1 12 . 1 1 42 42 SER C C 42 173.816 173.816 174.353 -0.537 18657 4205 1 12 . 1 1 42 42 SER CA C 42 62.348 62.348 60.289 2.058 18657 4206 1 12 . 1 1 42 42 SER CB C 42 62.947 62.947 62.639 0.307 18657 4207 1 12 . 1 1 42 42 SER H H 42 9.328 9.328 9.114 0.214 18657 4208 1 12 . 1 1 43 43 MET N N 43 123.672 123.672 122.734 0.938 18657 4209 1 12 . 1 1 43 43 MET HA H 43 4.449 4.449 4.458 -0.009 18657 4210 1 12 . 1 1 43 43 MET C C 43 175.128 175.128 176.210 -1.082 18657 4211 1 12 . 1 1 43 43 MET CA C 43 57.119 57.119 56.041 1.078 18657 4212 1 12 . 1 1 43 43 MET CB C 43 32.831 32.831 32.758 0.073 18657 4213 1 12 . 1 1 43 43 MET H H 43 8.806 8.806 8.028 0.778 18657 4214 1 12 . 1 1 44 44 GLN N N 44 118.463 118.463 121.901 -3.438 18657 4215 1 12 . 1 1 44 44 GLN HA H 44 5.256 5.256 4.925 0.331 18657 4216 1 12 . 1 1 44 44 GLN C C 44 177.035 177.035 176.112 0.923 18657 4217 1 12 . 1 1 44 44 GLN CA C 44 54.304 54.304 54.927 -0.623 18657 4218 1 12 . 1 1 44 44 GLN CB C 44 32.083 32.083 30.486 1.597 18657 4219 1 12 . 1 1 44 44 GLN H H 44 8.947 8.947 8.637 0.310 18657 4220 1 12 . 1 1 45 45 VAL N N 45 111.238 111.238 115.184 -3.946 18657 4221 1 12 . 1 1 45 45 VAL HA H 45 5.297 5.297 4.699 0.598 18657 4222 1 12 . 1 1 45 45 VAL C C 45 177.962 177.962 175.768 2.194 18657 4223 1 12 . 1 1 45 45 VAL CA C 45 59.950 59.950 60.017 -0.067 18657 4224 1 12 . 1 1 45 45 VAL CB C 45 33.437 33.437 33.170 0.266 18657 4225 1 12 . 1 1 45 45 VAL H H 45 7.564 7.564 7.935 -0.371 18657 4226 1 12 . 1 1 46 46 ASN N N 46 118.782 118.782 121.472 -2.690 18657 4227 1 12 . 1 1 46 46 ASN HA H 46 4.716 4.716 4.718 -0.002 18657 4228 1 12 . 1 1 46 46 ASN C C 46 174.812 174.812 174.902 -0.090 18657 4229 1 12 . 1 1 46 46 ASN CA C 46 51.680 51.680 52.195 -0.515 18657 4230 1 12 . 1 1 46 46 ASN CB C 46 39.469 39.469 38.831 0.638 18657 4231 1 12 . 1 1 46 46 ASN H H 46 8.556 8.556 8.703 -0.147 18657 4232 1 12 . 1 1 47 47 GLN N N 47 112.810 112.810 116.867 -4.057 18657 4233 1 12 . 1 1 47 47 GLN HA H 47 4.549 4.549 4.276 0.273 18657 4234 1 12 . 1 1 47 47 GLN C C 47 172.365 172.365 173.877 -1.512 18657 4235 1 12 . 1 1 47 47 GLN CA C 47 53.013 53.013 54.892 -1.879 18657 4236 1 12 . 1 1 47 47 GLN CB C 47 32.841 32.841 32.170 0.671 18657 4237 1 12 . 1 1 47 47 GLN H H 47 7.663 7.663 7.650 0.013 18657 4238 1 12 . 1 1 48 48 VAL N N 48 118.841 118.841 124.607 -5.766 18657 4239 1 12 . 1 1 48 48 VAL HA H 48 4.184 4.184 3.915 0.269 18657 4240 1 12 . 1 1 48 48 VAL C C 48 176.865 176.865 175.301 1.564 18657 4241 1 12 . 1 1 48 48 VAL CA C 48 62.932 62.932 63.697 -0.765 18657 4242 1 12 . 1 1 48 48 VAL CB C 48 31.788 31.788 31.898 -0.110 18657 4243 1 12 . 1 1 48 48 VAL H H 48 8.407 8.407 8.448 -0.041 18657 4244 1 12 . 1 1 49 49 VAL N N 49 130.600 130.600 128.212 2.388 18657 4245 1 12 . 1 1 49 49 VAL HA H 49 4.547 4.547 4.604 -0.057 18657 4246 1 12 . 1 1 49 49 VAL CA C 49 59.419 59.419 58.188 1.232 18657 4247 1 12 . 1 1 49 49 VAL CB C 49 33.236 33.236 32.919 0.318 18657 4248 1 12 . 1 1 49 49 VAL H H 49 9.165 9.165 8.930 0.235 18657 4249 1 12 . 1 1 50 50 PRO HA H 50 4.227 4.227 4.599 -0.372 18657 4250 1 12 . 1 1 50 50 PRO C C 50 176.512 176.512 176.187 0.325 18657 4251 1 12 . 1 1 50 50 PRO CA C 50 62.220 62.220 61.458 0.762 18657 4252 1 12 . 1 1 50 50 PRO CB C 50 32.282 32.282 32.618 -0.336 18657 4253 1 12 . 1 1 51 51 MET N N 51 123.146 123.146 118.485 4.661 18657 4254 1 12 . 1 1 51 51 MET HA H 51 3.322 3.322 4.085 -0.763 18657 4255 1 12 . 1 1 51 51 MET C C 51 176.953 176.953 177.879 -0.926 18657 4256 1 12 . 1 1 51 51 MET CA C 51 58.534 58.534 57.512 1.022 18657 4257 1 12 . 1 1 51 51 MET CB C 51 32.593 32.593 33.256 -0.663 18657 4258 1 12 . 1 1 51 51 MET H H 51 8.598 8.598 8.241 0.357 18657 4259 1 12 . 1 1 52 52 GLY N N 52 114.707 114.707 112.905 1.802 18657 4260 1 12 . 1 1 52 52 GLY C C 52 173.693 173.693 174.396 -0.703 18657 4261 1 12 . 1 1 52 52 GLY CA C 52 45.046 45.046 45.850 -0.804 18657 4262 1 12 . 1 1 52 52 GLY H H 52 8.852 8.852 9.037 -0.185 18657 4263 1 12 . 1 1 53 53 THR N N 53 119.372 119.372 120.007 -0.635 18657 4264 1 12 . 1 1 53 53 THR HA H 53 4.143 4.143 4.411 -0.268 18657 4265 1 12 . 1 1 53 53 THR C C 53 173.482 173.482 174.485 -1.003 18657 4266 1 12 . 1 1 53 53 THR CA C 53 63.363 63.363 62.361 1.002 18657 4267 1 12 . 1 1 53 53 THR CB C 53 69.448 69.448 69.151 0.297 18657 4268 1 12 . 1 1 53 53 THR H H 53 7.706 7.706 7.556 0.150 18657 4269 1 12 . 1 1 54 54 THR N N 54 125.168 125.168 123.361 1.807 18657 4270 1 12 . 1 1 54 54 THR HA H 54 4.137 4.137 4.167 -0.030 18657 4271 1 12 . 1 1 54 54 THR C C 54 173.018 173.018 174.268 -1.250 18657 4272 1 12 . 1 1 54 54 THR CA C 54 63.314 63.314 64.743 -1.429 18657 4273 1 12 . 1 1 54 54 THR CB C 54 68.846 68.846 69.264 -0.418 18657 4274 1 12 . 1 1 54 54 THR H H 54 8.914 8.914 8.648 0.266 18657 4275 1 12 . 1 1 55 55 LEU N N 55 131.166 131.166 126.269 4.897 18657 4276 1 12 . 1 1 55 55 LEU HA H 55 4.298 4.298 4.414 -0.116 18657 4277 1 12 . 1 1 55 55 LEU C C 55 174.234 174.234 175.843 -1.609 18657 4278 1 12 . 1 1 55 55 LEU CA C 55 55.132 55.132 54.406 0.726 18657 4279 1 12 . 1 1 55 55 LEU CB C 55 42.317 42.317 43.081 -0.763 18657 4280 1 12 . 1 1 55 55 LEU H H 55 9.006 9.006 8.847 0.159 18657 4281 1 12 . 1 1 56 56 MET N N 56 126.627 126.627 121.757 4.870 18657 4282 1 12 . 1 1 56 56 MET HA H 56 5.043 5.043 4.867 0.176 18657 4283 1 12 . 1 1 56 56 MET CA C 56 51.058 51.058 52.518 -1.460 18657 4284 1 12 . 1 1 56 56 MET CB C 56 31.593 31.593 33.431 -1.839 18657 4285 1 12 . 1 1 56 56 MET H H 56 8.028 8.028 8.573 -0.545 18657 4286 1 12 . 1 1 57 57 PRO HA H 57 3.695 3.695 3.561 0.134 18657 4287 1 12 . 1 1 57 57 PRO C C 57 176.780 176.780 176.291 0.489 18657 4288 1 12 . 1 1 57 57 PRO CA C 57 66.142 66.142 64.341 1.801 18657 4289 1 12 . 1 1 57 57 PRO CB C 57 32.795 32.795 31.494 1.301 18657 4290 1 12 . 1 1 58 58 ASP N N 58 110.360 110.360 116.516 -6.156 18657 4291 1 12 . 1 1 58 58 ASP HA H 58 4.436 4.436 4.698 -0.262 18657 4292 1 12 . 1 1 58 58 ASP C C 58 176.945 176.945 175.782 1.163 18657 4293 1 12 . 1 1 58 58 ASP CA C 58 54.660 54.660 54.866 -0.206 18657 4294 1 12 . 1 1 58 58 ASP CB C 58 39.716 39.716 40.543 -0.827 18657 4295 1 12 . 1 1 58 58 ASP H H 58 8.036 8.036 8.528 -0.492 18657 4296 1 12 . 1 1 59 59 MET N N 59 116.951 116.951 116.844 0.107 18657 4297 1 12 . 1 1 59 59 MET HA H 59 4.642 4.642 4.792 -0.150 18657 4298 1 12 . 1 1 59 59 MET C C 59 174.817 174.817 174.583 0.234 18657 4299 1 12 . 1 1 59 59 MET CA C 59 56.757 56.757 55.468 1.289 18657 4300 1 12 . 1 1 59 59 MET CB C 59 33.587 33.587 34.983 -1.397 18657 4301 1 12 . 1 1 59 59 MET H H 59 8.066 8.066 7.368 0.698 18657 4302 1 12 . 1 1 60 60 VAL N N 60 117.470 117.470 120.327 -2.857 18657 4303 1 12 . 1 1 60 60 VAL HA H 60 4.351 4.351 4.544 -0.193 18657 4304 1 12 . 1 1 60 60 VAL C C 60 176.067 176.067 175.816 0.251 18657 4305 1 12 . 1 1 60 60 VAL CA C 60 61.229 61.229 59.358 1.871 18657 4306 1 12 . 1 1 60 60 VAL CB C 60 33.146 33.146 33.705 -0.559 18657 4307 1 12 . 1 1 60 60 VAL H H 60 7.109 7.109 7.252 -0.143 18657 4308 1 12 . 1 1 61 61 LYS N N 61 128.839 128.839 127.097 1.742 18657 4309 1 12 . 1 1 61 61 LYS HA H 61 4.122 4.122 4.437 -0.315 18657 4310 1 12 . 1 1 61 61 LYS C C 61 177.652 177.652 176.944 0.708 18657 4311 1 12 . 1 1 61 61 LYS CA C 61 58.146 58.146 55.816 2.330 18657 4312 1 12 . 1 1 61 61 LYS CB C 61 32.336 32.336 32.662 -0.326 18657 4313 1 12 . 1 1 61 61 LYS H H 61 9.069 9.069 8.620 0.449 18657 4314 1 12 . 1 1 62 62 GLY N N 62 113.363 113.363 110.005 3.358 18657 4315 1 12 . 1 1 62 62 GLY C C 62 174.621 174.621 174.359 0.262 18657 4316 1 12 . 1 1 62 62 GLY CA C 62 45.506 45.506 46.319 -0.813 18657 4317 1 12 . 1 1 62 62 GLY H H 62 9.094 9.094 8.684 0.410 18657 4318 1 12 . 1 1 63 63 TYR N N 63 120.959 120.959 118.950 2.009 18657 4319 1 12 . 1 1 63 63 TYR HA H 63 3.971 3.971 4.442 -0.471 18657 4320 1 12 . 1 1 63 63 TYR C C 63 174.228 174.228 174.243 -0.015 18657 4321 1 12 . 1 1 63 63 TYR CA C 63 60.374 60.374 58.332 2.042 18657 4322 1 12 . 1 1 63 63 TYR CB C 63 39.040 39.040 40.050 -1.010 18657 4323 1 12 . 1 1 63 63 TYR H H 63 7.564 7.564 7.525 0.039 18657 4324 1 12 . 1 1 64 64 ALA N N 64 129.533 129.533 123.095 6.438 18657 4325 1 12 . 1 1 64 64 ALA HA H 64 4.425 4.425 4.595 -0.170 18657 4326 1 12 . 1 1 64 64 ALA CA C 64 49.480 49.480 50.904 -1.424 18657 4327 1 12 . 1 1 64 64 ALA CB C 64 19.620 19.620 19.053 0.567 18657 4328 1 12 . 1 1 64 64 ALA H H 64 7.546 7.546 6.710 0.836 18657 4329 1 12 . 1 1 65 65 PRO HA H 65 4.250 4.250 4.522 -0.272 18657 4330 1 12 . 1 1 65 65 PRO C C 65 175.380 175.380 176.893 -1.513 18657 4331 1 12 . 1 1 65 65 PRO CA C 65 62.712 62.712 62.321 0.391 18657 4332 1 12 . 1 1 65 65 PRO CB C 65 32.210 32.210 32.368 -0.158 18657 4333 1 13 . 1 1 1 1 ASN HA H 1 4.703 4.703 4.563 0.140 18657 4334 1 13 . 1 1 1 1 ASN C C 1 174.258 174.258 174.260 -0.002 18657 4335 1 13 . 1 1 1 1 ASN CA C 1 53.192 53.192 53.434 -0.242 18657 4336 1 13 . 1 1 1 1 ASN CB C 1 38.954 38.954 38.755 0.199 18657 4337 1 13 . 1 1 2 2 GLN N N 2 120.041 120.041 123.453 -3.412 18657 4338 1 13 . 1 1 2 2 GLN HA H 2 4.323 4.323 4.418 -0.095 18657 4339 1 13 . 1 1 2 2 GLN C C 2 176.004 176.004 174.991 1.013 18657 4340 1 13 . 1 1 2 2 GLN CA C 2 55.835 55.835 54.795 1.040 18657 4341 1 13 . 1 1 2 2 GLN CB C 2 29.640 29.640 28.688 0.952 18657 4342 1 13 . 1 1 2 2 GLN H H 2 8.597 8.597 8.453 0.144 18657 4343 1 13 . 1 1 3 3 GLU N N 3 124.166 124.166 127.990 -3.824 18657 4344 1 13 . 1 1 3 3 GLU HA H 3 4.294 4.294 4.318 -0.024 18657 4345 1 13 . 1 1 3 3 GLU C C 3 177.305 177.305 175.407 1.898 18657 4346 1 13 . 1 1 3 3 GLU CA C 3 56.597 56.597 56.477 0.120 18657 4347 1 13 . 1 1 3 3 GLU CB C 3 32.196 32.196 30.301 1.895 18657 4348 1 13 . 1 1 3 3 GLU H H 3 9.025 9.025 8.670 0.355 18657 4349 1 13 . 1 1 4 4 SER N N 4 118.222 118.222 120.145 -1.923 18657 4350 1 13 . 1 1 4 4 SER HA H 4 5.412 5.412 5.058 0.354 18657 4351 1 13 . 1 1 4 4 SER C C 4 171.713 171.713 174.431 -2.718 18657 4352 1 13 . 1 1 4 4 SER CA C 4 57.271 57.271 57.433 -0.162 18657 4353 1 13 . 1 1 4 4 SER CB C 4 66.319 66.319 64.857 1.462 18657 4354 1 13 . 1 1 4 4 SER H H 4 8.925 8.925 8.125 0.800 18657 4355 1 13 . 1 1 5 5 VAL N N 5 122.304 122.304 123.757 -1.453 18657 4356 1 13 . 1 1 5 5 VAL HA H 5 4.156 4.156 4.391 -0.235 18657 4357 1 13 . 1 1 5 5 VAL C C 5 174.325 174.325 175.692 -1.367 18657 4358 1 13 . 1 1 5 5 VAL CA C 5 63.408 63.408 63.742 -0.334 18657 4359 1 13 . 1 1 5 5 VAL CB C 5 31.916 31.916 32.025 -0.109 18657 4360 1 13 . 1 1 5 5 VAL H H 5 8.506 8.506 8.834 -0.328 18657 4361 1 13 . 1 1 6 6 VAL N N 6 126.068 126.068 125.627 0.441 18657 4362 1 13 . 1 1 6 6 VAL HA H 6 4.512 4.512 4.290 0.222 18657 4363 1 13 . 1 1 6 6 VAL C C 6 174.958 174.958 175.154 -0.196 18657 4364 1 13 . 1 1 6 6 VAL CA C 6 59.365 59.365 59.852 -0.487 18657 4365 1 13 . 1 1 6 6 VAL CB C 6 36.189 36.189 34.539 1.650 18657 4366 1 13 . 1 1 6 6 VAL H H 6 8.637 8.637 7.873 0.764 18657 4367 1 13 . 1 1 7 7 ALA N N 7 126.887 126.887 129.369 -2.482 18657 4368 1 13 . 1 1 7 7 ALA HA H 7 4.441 4.441 4.225 0.216 18657 4369 1 13 . 1 1 7 7 ALA C C 7 178.642 178.642 177.842 0.800 18657 4370 1 13 . 1 1 7 7 ALA CA C 7 53.079 53.079 52.748 0.331 18657 4371 1 13 . 1 1 7 7 ALA CB C 7 19.055 19.055 18.570 0.485 18657 4372 1 13 . 1 1 7 7 ALA H H 7 8.318 8.318 8.202 0.116 18657 4373 1 13 . 1 1 8 8 ALA N N 8 129.962 129.962 127.771 2.191 18657 4374 1 13 . 1 1 8 8 ALA HA H 8 4.162 4.162 4.121 0.041 18657 4375 1 13 . 1 1 8 8 ALA C C 8 174.975 174.975 177.089 -2.114 18657 4376 1 13 . 1 1 8 8 ALA CA C 8 52.229 52.229 53.891 -1.662 18657 4377 1 13 . 1 1 8 8 ALA CB C 8 19.350 19.350 19.333 0.017 18657 4378 1 13 . 1 1 8 8 ALA H H 8 9.248 9.248 8.236 1.012 18657 4379 1 13 . 1 1 9 9 GLN N N 9 111.285 111.285 112.576 -1.291 18657 4380 1 13 . 1 1 9 9 GLN HA H 9 4.510 4.510 4.407 0.103 18657 4381 1 13 . 1 1 9 9 GLN C C 9 172.373 172.373 174.304 -1.931 18657 4382 1 13 . 1 1 9 9 GLN CA C 9 52.613 52.613 53.661 -1.048 18657 4383 1 13 . 1 1 9 9 GLN CB C 9 32.673 32.673 30.703 1.970 18657 4384 1 13 . 1 1 9 9 GLN H H 9 7.709 7.709 7.451 0.258 18657 4385 1 13 . 1 1 10 10 LEU N N 10 120.553 120.553 122.331 -1.778 18657 4386 1 13 . 1 1 10 10 LEU HA H 10 4.541 4.541 4.227 0.314 18657 4387 1 13 . 1 1 10 10 LEU C C 10 177.120 177.120 175.577 1.543 18657 4388 1 13 . 1 1 10 10 LEU CA C 10 56.329 56.329 56.221 0.108 18657 4389 1 13 . 1 1 10 10 LEU CB C 10 41.176 41.176 42.193 -1.017 18657 4390 1 13 . 1 1 10 10 LEU H H 10 8.501 8.501 8.516 -0.015 18657 4391 1 13 . 1 1 11 11 ILE N N 11 132.775 132.775 128.164 4.611 18657 4392 1 13 . 1 1 11 11 ILE HA H 11 4.604 4.604 4.611 -0.006 18657 4393 1 13 . 1 1 11 11 ILE CA C 11 59.247 59.247 57.734 1.513 18657 4394 1 13 . 1 1 11 11 ILE CB C 11 39.630 39.630 41.040 -1.410 18657 4395 1 13 . 1 1 11 11 ILE H H 11 9.329 9.329 8.925 0.404 18657 4396 1 13 . 1 1 12 12 PRO HA H 12 4.392 4.392 4.453 -0.061 18657 4397 1 13 . 1 1 12 12 PRO C C 12 176.644 176.644 176.191 0.453 18657 4398 1 13 . 1 1 12 12 PRO CA C 12 61.904 61.904 61.692 0.212 18657 4399 1 13 . 1 1 12 12 PRO CB C 12 32.576 32.576 32.224 0.353 18657 4400 1 13 . 1 1 13 13 ILE N N 13 121.774 121.774 120.179 1.595 18657 4401 1 13 . 1 1 13 13 ILE HA H 13 3.380 3.380 3.692 -0.312 18657 4402 1 13 . 1 1 13 13 ILE C C 13 173.621 173.621 176.003 -2.382 18657 4403 1 13 . 1 1 13 13 ILE CA C 13 63.705 63.705 62.461 1.244 18657 4404 1 13 . 1 1 13 13 ILE CB C 13 38.836 38.836 38.518 0.318 18657 4405 1 13 . 1 1 13 13 ILE H H 13 7.938 7.938 8.175 -0.237 18657 4406 1 13 . 1 1 14 14 ASN N N 14 117.013 117.013 121.401 -4.388 18657 4407 1 13 . 1 1 14 14 ASN HA H 14 4.565 4.565 4.452 0.113 18657 4408 1 13 . 1 1 14 14 ASN C C 14 173.943 173.943 173.800 0.143 18657 4409 1 13 . 1 1 14 14 ASN CA C 14 55.344 55.344 54.858 0.486 18657 4410 1 13 . 1 1 14 14 ASN CB C 14 37.014 37.014 36.028 0.986 18657 4411 1 13 . 1 1 14 14 ASN H H 14 7.240 7.240 8.764 -1.524 18657 4412 1 13 . 1 1 15 15 THR N N 15 116.580 116.580 115.753 0.827 18657 4413 1 13 . 1 1 15 15 THR HA H 15 3.966 3.966 4.416 -0.450 18657 4414 1 13 . 1 1 15 15 THR C C 15 172.956 172.956 173.804 -0.848 18657 4415 1 13 . 1 1 15 15 THR CA C 15 64.332 64.332 61.459 2.873 18657 4416 1 13 . 1 1 15 15 THR CB C 15 69.532 69.532 70.012 -0.480 18657 4417 1 13 . 1 1 15 15 THR H H 15 7.313 7.313 7.453 -0.140 18657 4418 1 13 . 1 1 16 16 ALA N N 16 128.035 128.035 131.683 -3.648 18657 4419 1 13 . 1 1 16 16 ALA HA H 16 4.246 4.246 4.167 0.079 18657 4420 1 13 . 1 1 16 16 ALA C C 16 176.643 176.643 176.783 -0.140 18657 4421 1 13 . 1 1 16 16 ALA CA C 16 50.750 50.750 52.318 -1.568 18657 4422 1 13 . 1 1 16 16 ALA CB C 16 18.653 18.653 18.427 0.226 18657 4423 1 13 . 1 1 16 16 ALA H H 16 8.545 8.545 8.700 -0.155 18657 4424 1 13 . 1 1 17 17 LEU N N 17 125.094 125.094 125.406 -0.312 18657 4425 1 13 . 1 1 17 17 LEU HA H 17 4.505 4.505 4.218 0.287 18657 4426 1 13 . 1 1 17 17 LEU C C 17 178.848 178.848 176.705 2.143 18657 4427 1 13 . 1 1 17 17 LEU CA C 17 56.127 56.127 55.966 0.161 18657 4428 1 13 . 1 1 17 17 LEU CB C 17 42.573 42.573 42.622 -0.049 18657 4429 1 13 . 1 1 17 17 LEU H H 17 9.114 9.114 8.162 0.952 18657 4430 1 13 . 1 1 18 18 THR N N 18 113.568 113.568 111.783 1.785 18657 4431 1 13 . 1 1 18 18 THR HA H 18 4.623 4.623 4.559 0.064 18657 4432 1 13 . 1 1 18 18 THR C C 18 175.028 175.028 174.993 0.035 18657 4433 1 13 . 1 1 18 18 THR CA C 18 58.935 58.935 60.600 -1.665 18657 4434 1 13 . 1 1 18 18 THR CB C 18 71.185 71.185 70.746 0.439 18657 4435 1 13 . 1 1 18 18 THR H H 18 7.980 7.980 8.043 -0.063 18657 4436 1 13 . 1 1 19 19 LEU N N 19 121.118 121.118 121.278 -0.160 18657 4437 1 13 . 1 1 19 19 LEU HA H 19 3.817 3.817 4.314 -0.497 18657 4438 1 13 . 1 1 19 19 LEU C C 19 179.309 179.309 176.619 2.690 18657 4439 1 13 . 1 1 19 19 LEU CA C 19 58.710 58.710 56.649 2.061 18657 4440 1 13 . 1 1 19 19 LEU CB C 19 42.213 42.213 42.018 0.195 18657 4441 1 13 . 1 1 19 19 LEU H H 19 8.882 8.882 8.518 0.364 18657 4442 1 13 . 1 1 20 20 VAL N N 20 110.454 110.454 110.535 -0.081 18657 4443 1 13 . 1 1 20 20 VAL HA H 20 4.021 4.021 4.124 -0.103 18657 4444 1 13 . 1 1 20 20 VAL C C 20 176.778 176.778 175.830 0.948 18657 4445 1 13 . 1 1 20 20 VAL CA C 20 63.377 63.377 63.035 0.342 18657 4446 1 13 . 1 1 20 20 VAL CB C 20 31.558 31.558 31.810 -0.252 18657 4447 1 13 . 1 1 20 20 VAL H H 20 7.528 7.528 7.664 -0.136 18657 4448 1 13 . 1 1 21 21 MET N N 21 116.848 116.848 117.549 -0.701 18657 4449 1 13 . 1 1 21 21 MET HA H 21 3.940 3.940 4.611 -0.671 18657 4450 1 13 . 1 1 21 21 MET C C 21 175.514 175.514 175.256 0.258 18657 4451 1 13 . 1 1 21 21 MET CA C 21 57.965 57.965 55.839 2.126 18657 4452 1 13 . 1 1 21 21 MET CB C 21 32.889 32.889 35.000 -2.111 18657 4453 1 13 . 1 1 21 21 MET H H 21 7.518 7.518 8.042 -0.524 18657 4454 1 13 . 1 1 22 22 MET N N 22 116.986 116.986 117.408 -0.422 18657 4455 1 13 . 1 1 22 22 MET HA H 22 4.893 4.893 4.821 0.072 18657 4456 1 13 . 1 1 22 22 MET C C 22 173.981 173.981 174.694 -0.713 18657 4457 1 13 . 1 1 22 22 MET CA C 22 55.373 55.373 54.894 0.479 18657 4458 1 13 . 1 1 22 22 MET CB C 22 37.383 37.383 37.079 0.304 18657 4459 1 13 . 1 1 22 22 MET H H 22 7.709 7.709 7.609 0.100 18657 4460 1 13 . 1 1 23 23 THR N N 23 118.163 118.163 113.566 4.597 18657 4461 1 13 . 1 1 23 23 THR HA H 23 4.788 4.788 4.716 0.072 18657 4462 1 13 . 1 1 23 23 THR C C 23 172.307 172.307 172.167 0.140 18657 4463 1 13 . 1 1 23 23 THR CA C 23 58.678 58.678 61.000 -2.322 18657 4464 1 13 . 1 1 23 23 THR CB C 23 69.836 69.836 70.483 -0.646 18657 4465 1 13 . 1 1 23 23 THR H H 23 9.041 9.041 8.200 0.841 18657 4466 1 13 . 1 1 24 24 THR N N 24 111.374 111.374 112.060 -0.686 18657 4467 1 13 . 1 1 24 24 THR HA H 24 5.691 5.691 5.084 0.607 18657 4468 1 13 . 1 1 24 24 THR C C 24 174.035 174.035 173.468 0.567 18657 4469 1 13 . 1 1 24 24 THR CA C 24 58.843 58.843 60.148 -1.305 18657 4470 1 13 . 1 1 24 24 THR CB C 24 71.456 71.456 71.658 -0.202 18657 4471 1 13 . 1 1 24 24 THR H H 24 8.139 8.139 8.240 -0.101 18657 4472 1 13 . 1 1 25 25 ARG N N 25 119.402 119.402 122.762 -3.360 18657 4473 1 13 . 1 1 25 25 ARG HA H 25 4.575 4.575 4.460 0.115 18657 4474 1 13 . 1 1 25 25 ARG C C 25 174.979 174.979 173.618 1.361 18657 4475 1 13 . 1 1 25 25 ARG CA C 25 55.085 55.085 55.547 -0.462 18657 4476 1 13 . 1 1 25 25 ARG CB C 25 35.806 35.806 33.957 1.849 18657 4477 1 13 . 1 1 25 25 ARG H H 25 8.626 8.626 8.480 0.146 18657 4478 1 13 . 1 1 26 26 VAL N N 26 124.668 124.668 125.897 -1.229 18657 4479 1 13 . 1 1 26 26 VAL HA H 26 4.132 4.132 4.007 0.125 18657 4480 1 13 . 1 1 26 26 VAL C C 26 174.893 174.893 176.466 -1.573 18657 4481 1 13 . 1 1 26 26 VAL CA C 26 64.085 64.085 62.952 1.133 18657 4482 1 13 . 1 1 26 26 VAL CB C 26 30.450 30.450 30.740 -0.290 18657 4483 1 13 . 1 1 26 26 VAL H H 26 9.050 9.050 8.423 0.627 18657 4484 1 13 . 1 1 27 27 VAL N N 27 123.136 123.136 122.376 0.760 18657 4485 1 13 . 1 1 27 27 VAL HA H 27 4.649 4.649 4.573 0.076 18657 4486 1 13 . 1 1 27 27 VAL C C 27 174.747 174.747 173.920 0.827 18657 4487 1 13 . 1 1 27 27 VAL CA C 27 59.232 59.232 59.615 -0.383 18657 4488 1 13 . 1 1 27 27 VAL CB C 27 36.205 36.205 35.565 0.640 18657 4489 1 13 . 1 1 27 27 VAL H H 27 8.266 8.266 7.795 0.471 18657 4490 1 13 . 1 1 28 28 SER N N 28 116.564 116.564 116.092 0.472 18657 4491 1 13 . 1 1 28 28 SER HA H 28 4.535 4.535 4.902 -0.367 18657 4492 1 13 . 1 1 28 28 SER CA C 28 54.880 54.880 54.878 0.002 18657 4493 1 13 . 1 1 28 28 SER CB C 28 64.922 64.922 64.323 0.599 18657 4494 1 13 . 1 1 28 28 SER H H 28 8.302 8.302 8.321 -0.019 18657 4495 1 13 . 1 1 29 29 PRO HA H 29 4.774 4.774 4.685 0.089 18657 4496 1 13 . 1 1 29 29 PRO C C 29 176.324 176.324 176.031 0.293 18657 4497 1 13 . 1 1 29 29 PRO CA C 29 62.543 62.543 62.596 -0.054 18657 4498 1 13 . 1 1 29 29 PRO CB C 29 34.561 34.561 32.426 2.135 18657 4499 1 13 . 1 1 30 30 THR N N 30 113.418 113.418 111.734 1.684 18657 4500 1 13 . 1 1 30 30 THR HA H 30 3.830 3.830 4.314 -0.484 18657 4501 1 13 . 1 1 30 30 THR C C 30 174.556 174.556 174.122 0.434 18657 4502 1 13 . 1 1 30 30 THR CA C 30 62.846 62.846 61.805 1.041 18657 4503 1 13 . 1 1 30 30 THR CB C 30 69.384 69.384 69.724 -0.340 18657 4504 1 13 . 1 1 30 30 THR H H 30 8.492 8.492 8.190 0.302 18657 4505 1 13 . 1 1 31 31 GLY N N 31 109.224 109.224 110.052 -0.828 18657 4506 1 13 . 1 1 31 31 GLY C C 31 174.722 174.722 173.519 1.203 18657 4507 1 13 . 1 1 31 31 GLY CA C 31 44.844 44.844 43.544 1.300 18657 4508 1 13 . 1 1 31 31 GLY H H 31 8.054 8.054 8.140 -0.086 18657 4509 1 13 . 1 1 32 32 ILE N N 32 128.549 128.549 122.777 5.772 18657 4510 1 13 . 1 1 32 32 ILE HA H 32 3.959 3.959 4.036 -0.077 18657 4511 1 13 . 1 1 32 32 ILE CA C 32 61.251 61.251 61.895 -0.644 18657 4512 1 13 . 1 1 32 32 ILE CB C 32 39.665 39.665 37.587 2.079 18657 4513 1 13 . 1 1 32 32 ILE H H 32 8.820 8.820 8.244 0.576 18657 4514 1 13 . 1 1 33 33 PRO HA H 33 4.777 4.777 4.586 0.191 18657 4515 1 13 . 1 1 33 33 PRO C C 33 177.878 177.878 177.274 0.604 18657 4516 1 13 . 1 1 33 33 PRO CA C 33 63.110 63.110 62.456 0.653 18657 4517 1 13 . 1 1 33 33 PRO CB C 33 32.793 32.793 32.126 0.667 18657 4518 1 13 . 1 1 34 34 ALA N N 34 123.151 123.151 125.992 -2.841 18657 4519 1 13 . 1 1 34 34 ALA HA H 34 3.722 3.722 4.070 -0.348 18657 4520 1 13 . 1 1 34 34 ALA C C 34 179.547 179.547 179.601 -0.054 18657 4521 1 13 . 1 1 34 34 ALA CA C 34 54.835 54.835 54.725 0.110 18657 4522 1 13 . 1 1 34 34 ALA CB C 34 19.974 19.974 18.681 1.293 18657 4523 1 13 . 1 1 34 34 ALA H H 34 7.973 7.973 8.622 -0.649 18657 4524 1 13 . 1 1 35 35 GLU N N 35 116.421 116.421 116.277 0.144 18657 4525 1 13 . 1 1 35 35 GLU HA H 35 4.022 4.022 4.111 -0.089 18657 4526 1 13 . 1 1 35 35 GLU C C 35 176.479 176.479 176.809 -0.330 18657 4527 1 13 . 1 1 35 35 GLU CA C 35 58.966 58.966 57.885 1.081 18657 4528 1 13 . 1 1 35 35 GLU CB C 35 28.642 28.642 29.089 -0.447 18657 4529 1 13 . 1 1 35 35 GLU H H 35 9.247 9.247 8.721 0.526 18657 4530 1 13 . 1 1 36 36 ASP N N 36 118.097 118.097 118.033 0.064 18657 4531 1 13 . 1 1 36 36 ASP HA H 36 4.955 4.955 4.913 0.042 18657 4532 1 13 . 1 1 36 36 ASP C C 36 176.823 176.823 176.434 0.389 18657 4533 1 13 . 1 1 36 36 ASP CA C 36 54.568 54.568 53.861 0.707 18657 4534 1 13 . 1 1 36 36 ASP CB C 36 40.971 40.971 41.325 -0.354 18657 4535 1 13 . 1 1 36 36 ASP H H 36 8.146 8.146 8.139 0.007 18657 4536 1 13 . 1 1 37 37 ILE N N 37 121.429 121.429 122.743 -1.314 18657 4537 1 13 . 1 1 37 37 ILE HA H 37 3.636 3.636 3.954 -0.318 18657 4538 1 13 . 1 1 37 37 ILE CA C 37 68.859 68.859 67.591 1.268 18657 4539 1 13 . 1 1 37 37 ILE CB C 37 35.859 35.859 36.345 -0.486 18657 4540 1 13 . 1 1 37 37 ILE H H 37 7.520 7.520 7.934 -0.414 18657 4541 1 13 . 1 1 38 38 PRO HA H 38 4.183 4.183 4.404 -0.221 18657 4542 1 13 . 1 1 38 38 PRO C C 38 179.052 179.052 176.980 2.072 18657 4543 1 13 . 1 1 38 38 PRO CA C 38 65.906 65.906 64.576 1.330 18657 4544 1 13 . 1 1 38 38 PRO CB C 38 31.030 31.030 31.036 -0.006 18657 4545 1 13 . 1 1 39 39 ARG N N 39 115.064 115.064 116.857 -1.793 18657 4546 1 13 . 1 1 39 39 ARG HA H 39 4.237 4.237 4.391 -0.154 18657 4547 1 13 . 1 1 39 39 ARG C C 39 176.002 176.002 177.833 -1.831 18657 4548 1 13 . 1 1 39 39 ARG CA C 39 57.362 57.362 57.889 -0.527 18657 4549 1 13 . 1 1 39 39 ARG CB C 39 30.510 30.510 31.472 -0.962 18657 4550 1 13 . 1 1 39 39 ARG H H 39 7.367 7.367 7.996 -0.629 18657 4551 1 13 . 1 1 40 40 LEU N N 40 118.158 118.158 118.646 -0.488 18657 4552 1 13 . 1 1 40 40 LEU HA H 40 4.080 4.080 4.363 -0.283 18657 4553 1 13 . 1 1 40 40 LEU C C 40 177.804 177.804 177.153 0.651 18657 4554 1 13 . 1 1 40 40 LEU CA C 40 55.770 55.770 55.458 0.312 18657 4555 1 13 . 1 1 40 40 LEU CB C 40 42.782 42.782 41.812 0.970 18657 4556 1 13 . 1 1 40 40 LEU H H 40 7.782 7.782 8.328 -0.546 18657 4557 1 13 . 1 1 41 41 ILE N N 41 115.608 115.608 118.936 -3.328 18657 4558 1 13 . 1 1 41 41 ILE HA H 41 3.345 3.345 3.736 -0.391 18657 4559 1 13 . 1 1 41 41 ILE C C 41 178.078 178.078 176.074 2.004 18657 4560 1 13 . 1 1 41 41 ILE CA C 41 62.606 62.606 63.437 -0.831 18657 4561 1 13 . 1 1 41 41 ILE CB C 41 36.606 36.606 36.794 -0.188 18657 4562 1 13 . 1 1 41 41 ILE H H 41 6.799 6.799 7.551 -0.752 18657 4563 1 13 . 1 1 42 42 SER N N 42 121.395 121.395 115.880 5.515 18657 4564 1 13 . 1 1 42 42 SER HA H 42 3.991 3.991 4.119 -0.128 18657 4565 1 13 . 1 1 42 42 SER C C 42 173.816 173.816 173.623 0.193 18657 4566 1 13 . 1 1 42 42 SER CA C 42 62.348 62.348 60.775 1.573 18657 4567 1 13 . 1 1 42 42 SER CB C 42 62.947 62.947 62.700 0.247 18657 4568 1 13 . 1 1 42 42 SER H H 42 9.328 9.328 8.935 0.393 18657 4569 1 13 . 1 1 43 43 MET N N 43 123.672 123.672 121.926 1.746 18657 4570 1 13 . 1 1 43 43 MET HA H 43 4.449 4.449 4.646 -0.197 18657 4571 1 13 . 1 1 43 43 MET C C 43 175.128 175.128 176.013 -0.885 18657 4572 1 13 . 1 1 43 43 MET CA C 43 57.119 57.119 55.054 2.065 18657 4573 1 13 . 1 1 43 43 MET CB C 43 32.831 32.831 33.150 -0.319 18657 4574 1 13 . 1 1 43 43 MET H H 43 8.806 8.806 8.042 0.764 18657 4575 1 13 . 1 1 44 44 GLN N N 44 118.463 118.463 123.119 -4.656 18657 4576 1 13 . 1 1 44 44 GLN HA H 44 5.256 5.256 4.661 0.595 18657 4577 1 13 . 1 1 44 44 GLN C C 44 177.035 177.035 175.646 1.389 18657 4578 1 13 . 1 1 44 44 GLN CA C 44 54.304 54.304 55.840 -1.536 18657 4579 1 13 . 1 1 44 44 GLN CB C 44 32.083 32.083 29.823 2.260 18657 4580 1 13 . 1 1 44 44 GLN H H 44 8.947 8.947 8.724 0.223 18657 4581 1 13 . 1 1 45 45 VAL N N 45 111.238 111.238 113.132 -1.894 18657 4582 1 13 . 1 1 45 45 VAL HA H 45 5.297 5.297 4.592 0.705 18657 4583 1 13 . 1 1 45 45 VAL C C 45 177.962 177.962 175.628 2.334 18657 4584 1 13 . 1 1 45 45 VAL CA C 45 59.950 59.950 58.980 0.970 18657 4585 1 13 . 1 1 45 45 VAL CB C 45 33.437 33.437 34.587 -1.150 18657 4586 1 13 . 1 1 45 45 VAL H H 45 7.564 7.564 7.962 -0.398 18657 4587 1 13 . 1 1 46 46 ASN N N 46 118.782 118.782 119.289 -0.507 18657 4588 1 13 . 1 1 46 46 ASN HA H 46 4.716 4.716 4.840 -0.124 18657 4589 1 13 . 1 1 46 46 ASN C C 46 174.812 174.812 174.980 -0.168 18657 4590 1 13 . 1 1 46 46 ASN CA C 46 51.680 51.680 51.901 -0.221 18657 4591 1 13 . 1 1 46 46 ASN CB C 46 39.469 39.469 39.268 0.201 18657 4592 1 13 . 1 1 46 46 ASN H H 46 8.556 8.556 8.432 0.124 18657 4593 1 13 . 1 1 47 47 GLN N N 47 112.810 112.810 117.346 -4.536 18657 4594 1 13 . 1 1 47 47 GLN HA H 47 4.549 4.549 4.315 0.234 18657 4595 1 13 . 1 1 47 47 GLN C C 47 172.365 172.365 173.705 -1.340 18657 4596 1 13 . 1 1 47 47 GLN CA C 47 53.013 53.013 55.135 -2.122 18657 4597 1 13 . 1 1 47 47 GLN CB C 47 32.841 32.841 31.775 1.066 18657 4598 1 13 . 1 1 47 47 GLN H H 47 7.663 7.663 7.564 0.099 18657 4599 1 13 . 1 1 48 48 VAL N N 48 118.841 118.841 124.367 -5.526 18657 4600 1 13 . 1 1 48 48 VAL HA H 48 4.184 4.184 3.930 0.254 18657 4601 1 13 . 1 1 48 48 VAL C C 48 176.865 176.865 175.640 1.225 18657 4602 1 13 . 1 1 48 48 VAL CA C 48 62.932 62.932 63.806 -0.874 18657 4603 1 13 . 1 1 48 48 VAL CB C 48 31.788 31.788 31.645 0.143 18657 4604 1 13 . 1 1 48 48 VAL H H 48 8.407 8.407 8.506 -0.099 18657 4605 1 13 . 1 1 49 49 VAL N N 49 130.600 130.600 128.940 1.660 18657 4606 1 13 . 1 1 49 49 VAL HA H 49 4.547 4.547 4.521 0.026 18657 4607 1 13 . 1 1 49 49 VAL CA C 49 59.419 59.419 59.399 0.020 18657 4608 1 13 . 1 1 49 49 VAL CB C 49 33.236 33.236 33.455 -0.219 18657 4609 1 13 . 1 1 49 49 VAL H H 49 9.165 9.165 9.001 0.164 18657 4610 1 13 . 1 1 50 50 PRO HA H 50 4.227 4.227 4.546 -0.319 18657 4611 1 13 . 1 1 50 50 PRO C C 50 176.512 176.512 176.184 0.328 18657 4612 1 13 . 1 1 50 50 PRO CA C 50 62.220 62.220 61.533 0.687 18657 4613 1 13 . 1 1 50 50 PRO CB C 50 32.282 32.282 32.598 -0.316 18657 4614 1 13 . 1 1 51 51 MET N N 51 123.146 123.146 119.092 4.054 18657 4615 1 13 . 1 1 51 51 MET HA H 51 3.322 3.322 3.999 -0.677 18657 4616 1 13 . 1 1 51 51 MET C C 51 176.953 176.953 177.799 -0.846 18657 4617 1 13 . 1 1 51 51 MET CA C 51 58.534 58.534 57.606 0.928 18657 4618 1 13 . 1 1 51 51 MET CB C 51 32.593 32.593 33.086 -0.493 18657 4619 1 13 . 1 1 51 51 MET H H 51 8.598 8.598 8.291 0.307 18657 4620 1 13 . 1 1 52 52 GLY N N 52 114.707 114.707 114.156 0.551 18657 4621 1 13 . 1 1 52 52 GLY C C 52 173.693 173.693 174.301 -0.608 18657 4622 1 13 . 1 1 52 52 GLY CA C 52 45.046 45.046 45.809 -0.763 18657 4623 1 13 . 1 1 52 52 GLY H H 52 8.852 8.852 9.088 -0.236 18657 4624 1 13 . 1 1 53 53 THR N N 53 119.372 119.372 120.127 -0.755 18657 4625 1 13 . 1 1 53 53 THR HA H 53 4.143 4.143 4.386 -0.243 18657 4626 1 13 . 1 1 53 53 THR C C 53 173.482 173.482 174.543 -1.061 18657 4627 1 13 . 1 1 53 53 THR CA C 53 63.363 63.363 62.798 0.565 18657 4628 1 13 . 1 1 53 53 THR CB C 53 69.448 69.448 68.753 0.695 18657 4629 1 13 . 1 1 53 53 THR H H 53 7.706 7.706 7.637 0.069 18657 4630 1 13 . 1 1 54 54 THR N N 54 125.168 125.168 123.268 1.900 18657 4631 1 13 . 1 1 54 54 THR HA H 54 4.137 4.137 4.119 0.018 18657 4632 1 13 . 1 1 54 54 THR C C 54 173.018 173.018 173.760 -0.742 18657 4633 1 13 . 1 1 54 54 THR CA C 54 63.314 63.314 64.236 -0.922 18657 4634 1 13 . 1 1 54 54 THR CB C 54 68.846 68.846 69.396 -0.550 18657 4635 1 13 . 1 1 54 54 THR H H 54 8.914 8.914 8.596 0.318 18657 4636 1 13 . 1 1 55 55 LEU N N 55 131.166 131.166 126.815 4.351 18657 4637 1 13 . 1 1 55 55 LEU HA H 55 4.298 4.298 4.513 -0.215 18657 4638 1 13 . 1 1 55 55 LEU C C 55 174.234 174.234 175.421 -1.187 18657 4639 1 13 . 1 1 55 55 LEU CA C 55 55.132 55.132 53.697 1.435 18657 4640 1 13 . 1 1 55 55 LEU CB C 55 42.317 42.317 42.439 -0.122 18657 4641 1 13 . 1 1 55 55 LEU H H 55 9.006 9.006 8.824 0.182 18657 4642 1 13 . 1 1 56 56 MET N N 56 126.627 126.627 124.301 2.326 18657 4643 1 13 . 1 1 56 56 MET HA H 56 5.043 5.043 4.869 0.174 18657 4644 1 13 . 1 1 56 56 MET CA C 56 51.058 51.058 52.447 -1.389 18657 4645 1 13 . 1 1 56 56 MET CB C 56 31.593 31.593 33.031 -1.438 18657 4646 1 13 . 1 1 56 56 MET H H 56 8.028 8.028 8.732 -0.704 18657 4647 1 13 . 1 1 57 57 PRO HA H 57 3.695 3.695 3.569 0.126 18657 4648 1 13 . 1 1 57 57 PRO C C 57 176.780 176.780 176.410 0.370 18657 4649 1 13 . 1 1 57 57 PRO CA C 57 66.142 66.142 64.438 1.704 18657 4650 1 13 . 1 1 57 57 PRO CB C 57 32.795 32.795 31.508 1.287 18657 4651 1 13 . 1 1 58 58 ASP N N 58 110.360 110.360 116.524 -6.164 18657 4652 1 13 . 1 1 58 58 ASP HA H 58 4.436 4.436 4.707 -0.271 18657 4653 1 13 . 1 1 58 58 ASP C C 58 176.945 176.945 175.838 1.107 18657 4654 1 13 . 1 1 58 58 ASP CA C 58 54.660 54.660 54.956 -0.296 18657 4655 1 13 . 1 1 58 58 ASP CB C 58 39.716 39.716 40.714 -0.998 18657 4656 1 13 . 1 1 58 58 ASP H H 58 8.036 8.036 8.530 -0.494 18657 4657 1 13 . 1 1 59 59 MET N N 59 116.951 116.951 117.003 -0.052 18657 4658 1 13 . 1 1 59 59 MET HA H 59 4.642 4.642 4.762 -0.120 18657 4659 1 13 . 1 1 59 59 MET C C 59 174.817 174.817 174.763 0.054 18657 4660 1 13 . 1 1 59 59 MET CA C 59 56.757 56.757 55.385 1.372 18657 4661 1 13 . 1 1 59 59 MET CB C 59 33.587 33.587 34.523 -0.936 18657 4662 1 13 . 1 1 59 59 MET H H 59 8.066 8.066 7.326 0.740 18657 4663 1 13 . 1 1 60 60 VAL N N 60 117.470 117.470 120.271 -2.801 18657 4664 1 13 . 1 1 60 60 VAL HA H 60 4.351 4.351 4.366 -0.015 18657 4665 1 13 . 1 1 60 60 VAL C C 60 176.067 176.067 174.971 1.096 18657 4666 1 13 . 1 1 60 60 VAL CA C 60 61.229 61.229 61.213 0.016 18657 4667 1 13 . 1 1 60 60 VAL CB C 60 33.146 33.146 34.752 -1.606 18657 4668 1 13 . 1 1 60 60 VAL H H 60 7.109 7.109 7.209 -0.100 18657 4669 1 13 . 1 1 61 61 LYS N N 61 128.839 128.839 128.390 0.449 18657 4670 1 13 . 1 1 61 61 LYS HA H 61 4.122 4.122 4.400 -0.278 18657 4671 1 13 . 1 1 61 61 LYS C C 61 177.652 177.652 177.081 0.571 18657 4672 1 13 . 1 1 61 61 LYS CA C 61 58.146 58.146 56.676 1.470 18657 4673 1 13 . 1 1 61 61 LYS CB C 61 32.336 32.336 33.355 -1.019 18657 4674 1 13 . 1 1 61 61 LYS H H 61 9.069 9.069 8.251 0.818 18657 4675 1 13 . 1 1 62 62 GLY N N 62 113.363 113.363 111.593 1.770 18657 4676 1 13 . 1 1 62 62 GLY C C 62 174.621 174.621 174.410 0.211 18657 4677 1 13 . 1 1 62 62 GLY CA C 62 45.506 45.506 45.402 0.104 18657 4678 1 13 . 1 1 62 62 GLY H H 62 9.094 9.094 8.672 0.422 18657 4679 1 13 . 1 1 63 63 TYR N N 63 120.959 120.959 119.644 1.315 18657 4680 1 13 . 1 1 63 63 TYR HA H 63 3.971 3.971 4.584 -0.613 18657 4681 1 13 . 1 1 63 63 TYR C C 63 174.228 174.228 174.588 -0.360 18657 4682 1 13 . 1 1 63 63 TYR CA C 63 60.374 60.374 57.909 2.465 18657 4683 1 13 . 1 1 63 63 TYR CB C 63 39.040 39.040 40.076 -1.036 18657 4684 1 13 . 1 1 63 63 TYR H H 63 7.564 7.564 7.451 0.113 18657 4685 1 13 . 1 1 64 64 ALA N N 64 129.533 129.533 122.820 6.713 18657 4686 1 13 . 1 1 64 64 ALA HA H 64 4.425 4.425 4.482 -0.057 18657 4687 1 13 . 1 1 64 64 ALA CA C 64 49.480 49.480 50.882 -1.402 18657 4688 1 13 . 1 1 64 64 ALA CB C 64 19.620 19.620 18.971 0.649 18657 4689 1 13 . 1 1 64 64 ALA H H 64 7.546 7.546 6.672 0.874 18657 4690 1 13 . 1 1 65 65 PRO HA H 65 4.250 4.250 4.468 -0.218 18657 4691 1 13 . 1 1 65 65 PRO C C 65 175.380 175.380 176.715 -1.335 18657 4692 1 13 . 1 1 65 65 PRO CA C 65 62.712 62.712 62.364 0.348 18657 4693 1 13 . 1 1 65 65 PRO CB C 65 32.210 32.210 32.370 -0.160 18657 4694 1 14 . 1 1 1 1 ASN HA H 1 4.703 4.703 4.917 -0.214 18657 4695 1 14 . 1 1 1 1 ASN C C 1 174.258 174.258 174.265 -0.007 18657 4696 1 14 . 1 1 1 1 ASN CA C 1 53.192 53.192 53.172 0.020 18657 4697 1 14 . 1 1 1 1 ASN CB C 1 38.954 38.954 39.737 -0.783 18657 4698 1 14 . 1 1 2 2 GLN N N 2 120.041 120.041 123.195 -3.154 18657 4699 1 14 . 1 1 2 2 GLN HA H 2 4.323 4.323 4.264 0.059 18657 4700 1 14 . 1 1 2 2 GLN C C 2 176.004 176.004 175.527 0.477 18657 4701 1 14 . 1 1 2 2 GLN CA C 2 55.835 55.835 55.716 0.119 18657 4702 1 14 . 1 1 2 2 GLN CB C 2 29.640 29.640 29.109 0.531 18657 4703 1 14 . 1 1 2 2 GLN H H 2 8.597 8.597 8.555 0.042 18657 4704 1 14 . 1 1 3 3 GLU N N 3 124.166 124.166 127.065 -2.899 18657 4705 1 14 . 1 1 3 3 GLU HA H 3 4.294 4.294 4.516 -0.222 18657 4706 1 14 . 1 1 3 3 GLU C C 3 177.305 177.305 175.401 1.904 18657 4707 1 14 . 1 1 3 3 GLU CA C 3 56.597 56.597 55.660 0.937 18657 4708 1 14 . 1 1 3 3 GLU CB C 3 32.196 32.196 31.031 1.165 18657 4709 1 14 . 1 1 3 3 GLU H H 3 9.025 9.025 8.755 0.270 18657 4710 1 14 . 1 1 4 4 SER N N 4 118.222 118.222 120.591 -2.369 18657 4711 1 14 . 1 1 4 4 SER HA H 4 5.412 5.412 5.151 0.261 18657 4712 1 14 . 1 1 4 4 SER C C 4 171.713 171.713 173.925 -2.212 18657 4713 1 14 . 1 1 4 4 SER CA C 4 57.271 57.271 57.743 -0.472 18657 4714 1 14 . 1 1 4 4 SER CB C 4 66.319 66.319 65.170 1.149 18657 4715 1 14 . 1 1 4 4 SER H H 4 8.925 8.925 8.153 0.772 18657 4716 1 14 . 1 1 5 5 VAL N N 5 122.304 122.304 124.189 -1.885 18657 4717 1 14 . 1 1 5 5 VAL HA H 5 4.156 4.156 4.347 -0.191 18657 4718 1 14 . 1 1 5 5 VAL C C 5 174.325 174.325 175.436 -1.111 18657 4719 1 14 . 1 1 5 5 VAL CA C 5 63.408 63.408 63.654 -0.245 18657 4720 1 14 . 1 1 5 5 VAL CB C 5 31.916 31.916 31.575 0.341 18657 4721 1 14 . 1 1 5 5 VAL H H 5 8.506 8.506 8.769 -0.263 18657 4722 1 14 . 1 1 6 6 VAL N N 6 126.068 126.068 126.287 -0.219 18657 4723 1 14 . 1 1 6 6 VAL HA H 6 4.512 4.512 4.280 0.232 18657 4724 1 14 . 1 1 6 6 VAL C C 6 174.958 174.958 174.990 -0.032 18657 4725 1 14 . 1 1 6 6 VAL CA C 6 59.365 59.365 60.117 -0.751 18657 4726 1 14 . 1 1 6 6 VAL CB C 6 36.189 36.189 34.416 1.773 18657 4727 1 14 . 1 1 6 6 VAL H H 6 8.637 8.637 7.681 0.956 18657 4728 1 14 . 1 1 7 7 ALA N N 7 126.887 126.887 129.260 -2.373 18657 4729 1 14 . 1 1 7 7 ALA HA H 7 4.441 4.441 4.327 0.114 18657 4730 1 14 . 1 1 7 7 ALA C C 7 178.642 178.642 177.903 0.739 18657 4731 1 14 . 1 1 7 7 ALA CA C 7 53.079 53.079 52.454 0.625 18657 4732 1 14 . 1 1 7 7 ALA CB C 7 19.055 19.055 18.639 0.416 18657 4733 1 14 . 1 1 7 7 ALA H H 7 8.318 8.318 8.055 0.263 18657 4734 1 14 . 1 1 8 8 ALA N N 8 129.962 129.962 127.807 2.155 18657 4735 1 14 . 1 1 8 8 ALA HA H 8 4.162 4.162 4.149 0.013 18657 4736 1 14 . 1 1 8 8 ALA C C 8 174.975 174.975 176.942 -1.967 18657 4737 1 14 . 1 1 8 8 ALA CA C 8 52.229 52.229 53.989 -1.760 18657 4738 1 14 . 1 1 8 8 ALA CB C 8 19.350 19.350 19.284 0.066 18657 4739 1 14 . 1 1 8 8 ALA H H 8 9.248 9.248 8.343 0.905 18657 4740 1 14 . 1 1 9 9 GLN N N 9 111.285 111.285 112.925 -1.640 18657 4741 1 14 . 1 1 9 9 GLN HA H 9 4.510 4.510 4.433 0.077 18657 4742 1 14 . 1 1 9 9 GLN C C 9 172.373 172.373 174.361 -1.988 18657 4743 1 14 . 1 1 9 9 GLN CA C 9 52.613 52.613 53.590 -0.977 18657 4744 1 14 . 1 1 9 9 GLN CB C 9 32.673 32.673 30.850 1.823 18657 4745 1 14 . 1 1 9 9 GLN H H 9 7.709 7.709 7.500 0.209 18657 4746 1 14 . 1 1 10 10 LEU N N 10 120.553 120.553 121.976 -1.423 18657 4747 1 14 . 1 1 10 10 LEU HA H 10 4.541 4.541 4.246 0.295 18657 4748 1 14 . 1 1 10 10 LEU C C 10 177.120 177.120 175.551 1.569 18657 4749 1 14 . 1 1 10 10 LEU CA C 10 56.329 56.329 56.312 0.017 18657 4750 1 14 . 1 1 10 10 LEU CB C 10 41.176 41.176 42.405 -1.229 18657 4751 1 14 . 1 1 10 10 LEU H H 10 8.501 8.501 8.521 -0.020 18657 4752 1 14 . 1 1 11 11 ILE N N 11 132.775 132.775 126.652 6.123 18657 4753 1 14 . 1 1 11 11 ILE HA H 11 4.604 4.604 4.586 0.018 18657 4754 1 14 . 1 1 11 11 ILE CA C 11 59.247 59.247 57.773 1.474 18657 4755 1 14 . 1 1 11 11 ILE CB C 11 39.630 39.630 41.431 -1.801 18657 4756 1 14 . 1 1 11 11 ILE H H 11 9.329 9.329 8.636 0.693 18657 4757 1 14 . 1 1 12 12 PRO HA H 12 4.392 4.392 4.582 -0.190 18657 4758 1 14 . 1 1 12 12 PRO C C 12 176.644 176.644 176.135 0.509 18657 4759 1 14 . 1 1 12 12 PRO CA C 12 61.904 61.904 61.563 0.341 18657 4760 1 14 . 1 1 12 12 PRO CB C 12 32.576 32.576 32.446 0.130 18657 4761 1 14 . 1 1 13 13 ILE N N 13 121.774 121.774 118.617 3.157 18657 4762 1 14 . 1 1 13 13 ILE HA H 13 3.380 3.380 3.655 -0.275 18657 4763 1 14 . 1 1 13 13 ILE C C 13 173.621 173.621 176.273 -2.652 18657 4764 1 14 . 1 1 13 13 ILE CA C 13 63.705 63.705 62.829 0.876 18657 4765 1 14 . 1 1 13 13 ILE CB C 13 38.836 38.836 38.646 0.190 18657 4766 1 14 . 1 1 13 13 ILE H H 13 7.938 7.938 8.083 -0.145 18657 4767 1 14 . 1 1 14 14 ASN N N 14 117.013 117.013 123.115 -6.102 18657 4768 1 14 . 1 1 14 14 ASN HA H 14 4.565 4.565 4.442 0.123 18657 4769 1 14 . 1 1 14 14 ASN C C 14 173.943 173.943 174.059 -0.116 18657 4770 1 14 . 1 1 14 14 ASN CA C 14 55.344 55.344 54.707 0.637 18657 4771 1 14 . 1 1 14 14 ASN CB C 14 37.014 37.014 36.435 0.578 18657 4772 1 14 . 1 1 14 14 ASN H H 14 7.240 7.240 9.236 -1.996 18657 4773 1 14 . 1 1 15 15 THR N N 15 116.580 116.580 116.680 -0.100 18657 4774 1 14 . 1 1 15 15 THR HA H 15 3.966 3.966 4.432 -0.466 18657 4775 1 14 . 1 1 15 15 THR C C 15 172.956 172.956 173.769 -0.813 18657 4776 1 14 . 1 1 15 15 THR CA C 15 64.332 64.332 61.463 2.869 18657 4777 1 14 . 1 1 15 15 THR CB C 15 69.532 69.532 69.316 0.216 18657 4778 1 14 . 1 1 15 15 THR H H 15 7.313 7.313 7.507 -0.194 18657 4779 1 14 . 1 1 16 16 ALA N N 16 128.035 128.035 131.549 -3.514 18657 4780 1 14 . 1 1 16 16 ALA HA H 16 4.246 4.246 4.077 0.169 18657 4781 1 14 . 1 1 16 16 ALA C C 16 176.643 176.643 176.675 -0.032 18657 4782 1 14 . 1 1 16 16 ALA CA C 16 50.750 50.750 52.271 -1.521 18657 4783 1 14 . 1 1 16 16 ALA CB C 16 18.653 18.653 18.413 0.240 18657 4784 1 14 . 1 1 16 16 ALA H H 16 8.545 8.545 8.669 -0.124 18657 4785 1 14 . 1 1 17 17 LEU N N 17 125.094 125.094 125.420 -0.326 18657 4786 1 14 . 1 1 17 17 LEU HA H 17 4.505 4.505 4.238 0.267 18657 4787 1 14 . 1 1 17 17 LEU C C 17 178.848 178.848 176.612 2.236 18657 4788 1 14 . 1 1 17 17 LEU CA C 17 56.127 56.127 55.909 0.218 18657 4789 1 14 . 1 1 17 17 LEU CB C 17 42.573 42.573 42.604 -0.031 18657 4790 1 14 . 1 1 17 17 LEU H H 17 9.114 9.114 8.179 0.935 18657 4791 1 14 . 1 1 18 18 THR N N 18 113.568 113.568 111.986 1.582 18657 4792 1 14 . 1 1 18 18 THR HA H 18 4.623 4.623 4.557 0.066 18657 4793 1 14 . 1 1 18 18 THR C C 18 175.028 175.028 174.983 0.045 18657 4794 1 14 . 1 1 18 18 THR CA C 18 58.935 58.935 60.597 -1.662 18657 4795 1 14 . 1 1 18 18 THR CB C 18 71.185 71.185 70.754 0.431 18657 4796 1 14 . 1 1 18 18 THR H H 18 7.980 7.980 8.051 -0.071 18657 4797 1 14 . 1 1 19 19 LEU N N 19 121.118 121.118 122.871 -1.753 18657 4798 1 14 . 1 1 19 19 LEU HA H 19 3.817 3.817 4.367 -0.550 18657 4799 1 14 . 1 1 19 19 LEU C C 19 179.309 179.309 176.110 3.199 18657 4800 1 14 . 1 1 19 19 LEU CA C 19 58.710 58.710 56.578 2.132 18657 4801 1 14 . 1 1 19 19 LEU CB C 19 42.213 42.213 42.054 0.159 18657 4802 1 14 . 1 1 19 19 LEU H H 19 8.882 8.882 8.636 0.246 18657 4803 1 14 . 1 1 20 20 VAL N N 20 110.454 110.454 110.726 -0.272 18657 4804 1 14 . 1 1 20 20 VAL HA H 20 4.021 4.021 4.080 -0.059 18657 4805 1 14 . 1 1 20 20 VAL C C 20 176.778 176.778 175.694 1.084 18657 4806 1 14 . 1 1 20 20 VAL CA C 20 63.377 63.377 63.001 0.376 18657 4807 1 14 . 1 1 20 20 VAL CB C 20 31.558 31.558 32.166 -0.608 18657 4808 1 14 . 1 1 20 20 VAL H H 20 7.528 7.528 7.554 -0.026 18657 4809 1 14 . 1 1 21 21 MET N N 21 116.848 116.848 117.666 -0.818 18657 4810 1 14 . 1 1 21 21 MET HA H 21 3.940 3.940 4.615 -0.675 18657 4811 1 14 . 1 1 21 21 MET C C 21 175.514 175.514 175.240 0.274 18657 4812 1 14 . 1 1 21 21 MET CA C 21 57.965 57.965 55.773 2.192 18657 4813 1 14 . 1 1 21 21 MET CB C 21 32.889 32.889 34.923 -2.034 18657 4814 1 14 . 1 1 21 21 MET H H 21 7.518 7.518 8.050 -0.532 18657 4815 1 14 . 1 1 22 22 MET N N 22 116.986 116.986 117.197 -0.211 18657 4816 1 14 . 1 1 22 22 MET HA H 22 4.893 4.893 4.870 0.023 18657 4817 1 14 . 1 1 22 22 MET C C 22 173.981 173.981 174.848 -0.867 18657 4818 1 14 . 1 1 22 22 MET CA C 22 55.373 55.373 54.957 0.416 18657 4819 1 14 . 1 1 22 22 MET CB C 22 37.383 37.383 36.828 0.555 18657 4820 1 14 . 1 1 22 22 MET H H 22 7.709 7.709 7.540 0.169 18657 4821 1 14 . 1 1 23 23 THR N N 23 118.163 118.163 113.265 4.898 18657 4822 1 14 . 1 1 23 23 THR HA H 23 4.788 4.788 4.651 0.137 18657 4823 1 14 . 1 1 23 23 THR C C 23 172.307 172.307 172.371 -0.064 18657 4824 1 14 . 1 1 23 23 THR CA C 23 58.678 58.678 61.162 -2.484 18657 4825 1 14 . 1 1 23 23 THR CB C 23 69.836 69.836 70.032 -0.196 18657 4826 1 14 . 1 1 23 23 THR H H 23 9.041 9.041 8.102 0.939 18657 4827 1 14 . 1 1 24 24 THR N N 24 111.374 111.374 112.447 -1.073 18657 4828 1 14 . 1 1 24 24 THR HA H 24 5.691 5.691 5.154 0.537 18657 4829 1 14 . 1 1 24 24 THR C C 24 174.035 174.035 173.299 0.736 18657 4830 1 14 . 1 1 24 24 THR CA C 24 58.843 58.843 60.303 -1.460 18657 4831 1 14 . 1 1 24 24 THR CB C 24 71.456 71.456 71.653 -0.198 18657 4832 1 14 . 1 1 24 24 THR H H 24 8.139 8.139 8.233 -0.094 18657 4833 1 14 . 1 1 25 25 ARG N N 25 119.402 119.402 123.022 -3.620 18657 4834 1 14 . 1 1 25 25 ARG HA H 25 4.575 4.575 4.500 0.075 18657 4835 1 14 . 1 1 25 25 ARG C C 25 174.979 174.979 173.770 1.209 18657 4836 1 14 . 1 1 25 25 ARG CA C 25 55.085 55.085 55.417 -0.332 18657 4837 1 14 . 1 1 25 25 ARG CB C 25 35.806 35.806 34.290 1.516 18657 4838 1 14 . 1 1 25 25 ARG H H 25 8.626 8.626 8.349 0.277 18657 4839 1 14 . 1 1 26 26 VAL N N 26 124.668 124.668 125.647 -0.979 18657 4840 1 14 . 1 1 26 26 VAL HA H 26 4.132 4.132 4.120 0.012 18657 4841 1 14 . 1 1 26 26 VAL C C 26 174.893 174.893 175.923 -1.030 18657 4842 1 14 . 1 1 26 26 VAL CA C 26 64.085 64.085 62.194 1.891 18657 4843 1 14 . 1 1 26 26 VAL CB C 26 30.450 30.450 30.032 0.418 18657 4844 1 14 . 1 1 26 26 VAL H H 26 9.050 9.050 8.490 0.560 18657 4845 1 14 . 1 1 27 27 VAL N N 27 123.136 123.136 123.484 -0.348 18657 4846 1 14 . 1 1 27 27 VAL HA H 27 4.649 4.649 4.588 0.061 18657 4847 1 14 . 1 1 27 27 VAL C C 27 174.747 174.747 173.943 0.804 18657 4848 1 14 . 1 1 27 27 VAL CA C 27 59.232 59.232 59.197 0.035 18657 4849 1 14 . 1 1 27 27 VAL CB C 27 36.205 36.205 35.429 0.776 18657 4850 1 14 . 1 1 27 27 VAL H H 27 8.266 8.266 7.833 0.433 18657 4851 1 14 . 1 1 28 28 SER N N 28 116.564 116.564 116.783 -0.219 18657 4852 1 14 . 1 1 28 28 SER HA H 28 4.535 4.535 4.910 -0.375 18657 4853 1 14 . 1 1 28 28 SER CA C 28 54.880 54.880 55.665 -0.785 18657 4854 1 14 . 1 1 28 28 SER CB C 28 64.922 64.922 64.506 0.416 18657 4855 1 14 . 1 1 28 28 SER H H 28 8.302 8.302 8.226 0.076 18657 4856 1 14 . 1 1 29 29 PRO HA H 29 4.774 4.774 4.730 0.044 18657 4857 1 14 . 1 1 29 29 PRO C C 29 176.324 176.324 175.728 0.596 18657 4858 1 14 . 1 1 29 29 PRO CA C 29 62.543 62.543 62.484 0.059 18657 4859 1 14 . 1 1 29 29 PRO CB C 29 34.561 34.561 32.668 1.893 18657 4860 1 14 . 1 1 30 30 THR N N 30 113.418 113.418 111.894 1.524 18657 4861 1 14 . 1 1 30 30 THR HA H 30 3.830 3.830 4.339 -0.509 18657 4862 1 14 . 1 1 30 30 THR C C 30 174.556 174.556 174.226 0.330 18657 4863 1 14 . 1 1 30 30 THR CA C 30 62.846 62.846 61.855 0.992 18657 4864 1 14 . 1 1 30 30 THR CB C 30 69.384 69.384 69.763 -0.379 18657 4865 1 14 . 1 1 30 30 THR H H 30 8.492 8.492 8.202 0.290 18657 4866 1 14 . 1 1 31 31 GLY N N 31 109.224 109.224 109.596 -0.372 18657 4867 1 14 . 1 1 31 31 GLY C C 31 174.722 174.722 173.368 1.354 18657 4868 1 14 . 1 1 31 31 GLY CA C 31 44.844 44.844 43.380 1.464 18657 4869 1 14 . 1 1 31 31 GLY H H 31 8.054 8.054 8.031 0.023 18657 4870 1 14 . 1 1 32 32 ILE N N 32 128.549 128.549 122.330 6.219 18657 4871 1 14 . 1 1 32 32 ILE HA H 32 3.959 3.959 3.967 -0.008 18657 4872 1 14 . 1 1 32 32 ILE CA C 32 61.251 61.251 62.355 -1.104 18657 4873 1 14 . 1 1 32 32 ILE CB C 32 39.665 39.665 37.520 2.145 18657 4874 1 14 . 1 1 32 32 ILE H H 32 8.820 8.820 7.963 0.857 18657 4875 1 14 . 1 1 33 33 PRO HA H 33 4.777 4.777 4.577 0.200 18657 4876 1 14 . 1 1 33 33 PRO C C 33 177.878 177.878 177.271 0.607 18657 4877 1 14 . 1 1 33 33 PRO CA C 33 63.110 63.110 62.434 0.676 18657 4878 1 14 . 1 1 33 33 PRO CB C 33 32.793 32.793 32.163 0.630 18657 4879 1 14 . 1 1 34 34 ALA N N 34 123.151 123.151 125.657 -2.506 18657 4880 1 14 . 1 1 34 34 ALA HA H 34 3.722 3.722 4.090 -0.368 18657 4881 1 14 . 1 1 34 34 ALA C C 34 179.547 179.547 179.602 -0.055 18657 4882 1 14 . 1 1 34 34 ALA CA C 34 54.835 54.835 54.614 0.222 18657 4883 1 14 . 1 1 34 34 ALA CB C 34 19.974 19.974 18.756 1.218 18657 4884 1 14 . 1 1 34 34 ALA H H 34 7.973 7.973 8.771 -0.798 18657 4885 1 14 . 1 1 35 35 GLU N N 35 116.421 116.421 117.084 -0.663 18657 4886 1 14 . 1 1 35 35 GLU HA H 35 4.022 4.022 4.149 -0.127 18657 4887 1 14 . 1 1 35 35 GLU C C 35 176.479 176.479 176.320 0.159 18657 4888 1 14 . 1 1 35 35 GLU CA C 35 58.966 58.966 58.052 0.914 18657 4889 1 14 . 1 1 35 35 GLU CB C 35 28.642 28.642 29.102 -0.460 18657 4890 1 14 . 1 1 35 35 GLU H H 35 9.247 9.247 8.592 0.655 18657 4891 1 14 . 1 1 36 36 ASP N N 36 118.097 118.097 118.923 -0.826 18657 4892 1 14 . 1 1 36 36 ASP HA H 36 4.955 4.955 4.891 0.064 18657 4893 1 14 . 1 1 36 36 ASP C C 36 176.823 176.823 176.607 0.216 18657 4894 1 14 . 1 1 36 36 ASP CA C 36 54.568 54.568 53.657 0.911 18657 4895 1 14 . 1 1 36 36 ASP CB C 36 40.971 40.971 40.493 0.478 18657 4896 1 14 . 1 1 36 36 ASP H H 36 8.146 8.146 8.305 -0.159 18657 4897 1 14 . 1 1 37 37 ILE N N 37 121.429 121.429 122.759 -1.330 18657 4898 1 14 . 1 1 37 37 ILE HA H 37 3.636 3.636 3.929 -0.293 18657 4899 1 14 . 1 1 37 37 ILE CA C 37 68.859 68.859 67.655 1.204 18657 4900 1 14 . 1 1 37 37 ILE CB C 37 35.859 35.859 36.288 -0.429 18657 4901 1 14 . 1 1 37 37 ILE H H 37 7.520 7.520 7.743 -0.223 18657 4902 1 14 . 1 1 38 38 PRO HA H 38 4.183 4.183 4.399 -0.216 18657 4903 1 14 . 1 1 38 38 PRO C C 38 179.052 179.052 177.131 1.921 18657 4904 1 14 . 1 1 38 38 PRO CA C 38 65.906 65.906 64.711 1.195 18657 4905 1 14 . 1 1 38 38 PRO CB C 38 31.030 31.030 31.120 -0.090 18657 4906 1 14 . 1 1 39 39 ARG N N 39 115.064 115.064 116.755 -1.691 18657 4907 1 14 . 1 1 39 39 ARG HA H 39 4.237 4.237 4.310 -0.073 18657 4908 1 14 . 1 1 39 39 ARG C C 39 176.002 176.002 177.839 -1.837 18657 4909 1 14 . 1 1 39 39 ARG CA C 39 57.362 57.362 58.270 -0.908 18657 4910 1 14 . 1 1 39 39 ARG CB C 39 30.510 30.510 31.179 -0.669 18657 4911 1 14 . 1 1 39 39 ARG H H 39 7.367 7.367 7.964 -0.597 18657 4912 1 14 . 1 1 40 40 LEU N N 40 118.158 118.158 118.190 -0.032 18657 4913 1 14 . 1 1 40 40 LEU HA H 40 4.080 4.080 4.401 -0.321 18657 4914 1 14 . 1 1 40 40 LEU C C 40 177.804 177.804 177.087 0.717 18657 4915 1 14 . 1 1 40 40 LEU CA C 40 55.770 55.770 55.297 0.473 18657 4916 1 14 . 1 1 40 40 LEU CB C 40 42.782 42.782 41.961 0.822 18657 4917 1 14 . 1 1 40 40 LEU H H 40 7.782 7.782 8.323 -0.541 18657 4918 1 14 . 1 1 41 41 ILE N N 41 115.608 115.608 119.038 -3.430 18657 4919 1 14 . 1 1 41 41 ILE HA H 41 3.345 3.345 3.736 -0.391 18657 4920 1 14 . 1 1 41 41 ILE C C 41 178.078 178.078 176.072 2.006 18657 4921 1 14 . 1 1 41 41 ILE CA C 41 62.606 62.606 63.473 -0.867 18657 4922 1 14 . 1 1 41 41 ILE CB C 41 36.606 36.606 36.854 -0.248 18657 4923 1 14 . 1 1 41 41 ILE H H 41 6.799 6.799 7.569 -0.770 18657 4924 1 14 . 1 1 42 42 SER N N 42 121.395 121.395 115.921 5.474 18657 4925 1 14 . 1 1 42 42 SER HA H 42 3.991 3.991 4.126 -0.135 18657 4926 1 14 . 1 1 42 42 SER C C 42 173.816 173.816 173.629 0.187 18657 4927 1 14 . 1 1 42 42 SER CA C 42 62.348 62.348 60.742 1.607 18657 4928 1 14 . 1 1 42 42 SER CB C 42 62.947 62.947 62.733 0.214 18657 4929 1 14 . 1 1 42 42 SER H H 42 9.328 9.328 8.918 0.410 18657 4930 1 14 . 1 1 43 43 MET N N 43 123.672 123.672 121.223 2.449 18657 4931 1 14 . 1 1 43 43 MET HA H 43 4.449 4.449 4.623 -0.174 18657 4932 1 14 . 1 1 43 43 MET C C 43 175.128 175.128 175.805 -0.677 18657 4933 1 14 . 1 1 43 43 MET CA C 43 57.119 57.119 55.095 2.024 18657 4934 1 14 . 1 1 43 43 MET CB C 43 32.831 32.831 33.328 -0.497 18657 4935 1 14 . 1 1 43 43 MET H H 43 8.806 8.806 8.088 0.718 18657 4936 1 14 . 1 1 44 44 GLN N N 44 118.463 118.463 122.972 -4.509 18657 4937 1 14 . 1 1 44 44 GLN HA H 44 5.256 5.256 4.729 0.527 18657 4938 1 14 . 1 1 44 44 GLN C C 44 177.035 177.035 175.738 1.297 18657 4939 1 14 . 1 1 44 44 GLN CA C 44 54.304 54.304 55.143 -0.839 18657 4940 1 14 . 1 1 44 44 GLN CB C 44 32.083 32.083 30.000 2.083 18657 4941 1 14 . 1 1 44 44 GLN H H 44 8.947 8.947 8.727 0.220 18657 4942 1 14 . 1 1 45 45 VAL N N 45 111.238 111.238 114.586 -3.348 18657 4943 1 14 . 1 1 45 45 VAL HA H 45 5.297 5.297 4.746 0.551 18657 4944 1 14 . 1 1 45 45 VAL C C 45 177.962 177.962 175.292 2.670 18657 4945 1 14 . 1 1 45 45 VAL CA C 45 59.950 59.950 59.182 0.768 18657 4946 1 14 . 1 1 45 45 VAL CB C 45 33.437 33.437 33.938 -0.501 18657 4947 1 14 . 1 1 45 45 VAL H H 45 7.564 7.564 8.027 -0.463 18657 4948 1 14 . 1 1 46 46 ASN N N 46 118.782 118.782 121.136 -2.354 18657 4949 1 14 . 1 1 46 46 ASN HA H 46 4.716 4.716 4.714 0.002 18657 4950 1 14 . 1 1 46 46 ASN C C 46 174.812 174.812 174.798 0.014 18657 4951 1 14 . 1 1 46 46 ASN CA C 46 51.680 51.680 52.507 -0.827 18657 4952 1 14 . 1 1 46 46 ASN CB C 46 39.469 39.469 38.798 0.671 18657 4953 1 14 . 1 1 46 46 ASN H H 46 8.556 8.556 8.430 0.126 18657 4954 1 14 . 1 1 47 47 GLN N N 47 112.810 112.810 116.855 -4.045 18657 4955 1 14 . 1 1 47 47 GLN HA H 47 4.549 4.549 4.271 0.278 18657 4956 1 14 . 1 1 47 47 GLN C C 47 172.365 172.365 173.865 -1.500 18657 4957 1 14 . 1 1 47 47 GLN CA C 47 53.013 53.013 54.906 -1.893 18657 4958 1 14 . 1 1 47 47 GLN CB C 47 32.841 32.841 32.098 0.743 18657 4959 1 14 . 1 1 47 47 GLN H H 47 7.663 7.663 7.654 0.009 18657 4960 1 14 . 1 1 48 48 VAL N N 48 118.841 118.841 124.531 -5.690 18657 4961 1 14 . 1 1 48 48 VAL HA H 48 4.184 4.184 3.926 0.258 18657 4962 1 14 . 1 1 48 48 VAL C C 48 176.865 176.865 175.449 1.416 18657 4963 1 14 . 1 1 48 48 VAL CA C 48 62.932 62.932 63.686 -0.754 18657 4964 1 14 . 1 1 48 48 VAL CB C 48 31.788 31.788 31.963 -0.175 18657 4965 1 14 . 1 1 48 48 VAL H H 48 8.407 8.407 8.453 -0.046 18657 4966 1 14 . 1 1 49 49 VAL N N 49 130.600 130.600 127.839 2.761 18657 4967 1 14 . 1 1 49 49 VAL HA H 49 4.547 4.547 4.574 -0.027 18657 4968 1 14 . 1 1 49 49 VAL CA C 49 59.419 59.419 59.109 0.310 18657 4969 1 14 . 1 1 49 49 VAL CB C 49 33.236 33.236 32.873 0.363 18657 4970 1 14 . 1 1 49 49 VAL H H 49 9.165 9.165 8.903 0.262 18657 4971 1 14 . 1 1 50 50 PRO HA H 50 4.227 4.227 4.566 -0.339 18657 4972 1 14 . 1 1 50 50 PRO C C 50 176.512 176.512 176.178 0.334 18657 4973 1 14 . 1 1 50 50 PRO CA C 50 62.220 62.220 61.541 0.679 18657 4974 1 14 . 1 1 50 50 PRO CB C 50 32.282 32.282 32.626 -0.344 18657 4975 1 14 . 1 1 51 51 MET N N 51 123.146 123.146 119.385 3.761 18657 4976 1 14 . 1 1 51 51 MET HA H 51 3.322 3.322 4.035 -0.713 18657 4977 1 14 . 1 1 51 51 MET C C 51 176.953 176.953 177.866 -0.913 18657 4978 1 14 . 1 1 51 51 MET CA C 51 58.534 58.534 57.756 0.778 18657 4979 1 14 . 1 1 51 51 MET CB C 51 32.593 32.593 32.956 -0.363 18657 4980 1 14 . 1 1 51 51 MET H H 51 8.598 8.598 8.316 0.282 18657 4981 1 14 . 1 1 52 52 GLY N N 52 114.707 114.707 114.409 0.298 18657 4982 1 14 . 1 1 52 52 GLY C C 52 173.693 173.693 174.202 -0.509 18657 4983 1 14 . 1 1 52 52 GLY CA C 52 45.046 45.046 45.612 -0.566 18657 4984 1 14 . 1 1 52 52 GLY H H 52 8.852 8.852 9.079 -0.227 18657 4985 1 14 . 1 1 53 53 THR N N 53 119.372 119.372 120.262 -0.890 18657 4986 1 14 . 1 1 53 53 THR HA H 53 4.143 4.143 4.348 -0.205 18657 4987 1 14 . 1 1 53 53 THR C C 53 173.482 173.482 174.378 -0.896 18657 4988 1 14 . 1 1 53 53 THR CA C 53 63.363 63.363 61.890 1.473 18657 4989 1 14 . 1 1 53 53 THR CB C 53 69.448 69.448 69.341 0.107 18657 4990 1 14 . 1 1 53 53 THR H H 53 7.706 7.706 7.729 -0.023 18657 4991 1 14 . 1 1 54 54 THR N N 54 125.168 125.168 123.533 1.635 18657 4992 1 14 . 1 1 54 54 THR HA H 54 4.137 4.137 4.047 0.090 18657 4993 1 14 . 1 1 54 54 THR C C 54 173.018 173.018 174.122 -1.104 18657 4994 1 14 . 1 1 54 54 THR CA C 54 63.314 63.314 64.985 -1.671 18657 4995 1 14 . 1 1 54 54 THR CB C 54 68.846 68.846 69.381 -0.535 18657 4996 1 14 . 1 1 54 54 THR H H 54 8.914 8.914 8.694 0.220 18657 4997 1 14 . 1 1 55 55 LEU N N 55 131.166 131.166 126.525 4.641 18657 4998 1 14 . 1 1 55 55 LEU HA H 55 4.298 4.298 4.503 -0.205 18657 4999 1 14 . 1 1 55 55 LEU C C 55 174.234 174.234 175.642 -1.408 18657 5000 1 14 . 1 1 55 55 LEU CA C 55 55.132 55.132 54.384 0.748 18657 5001 1 14 . 1 1 55 55 LEU CB C 55 42.317 42.317 43.732 -1.415 18657 5002 1 14 . 1 1 55 55 LEU H H 55 9.006 9.006 8.908 0.098 18657 5003 1 14 . 1 1 56 56 MET N N 56 126.627 126.627 123.216 3.411 18657 5004 1 14 . 1 1 56 56 MET HA H 56 5.043 5.043 4.871 0.172 18657 5005 1 14 . 1 1 56 56 MET CA C 56 51.058 51.058 52.479 -1.421 18657 5006 1 14 . 1 1 56 56 MET CB C 56 31.593 31.593 33.442 -1.849 18657 5007 1 14 . 1 1 56 56 MET H H 56 8.028 8.028 8.571 -0.543 18657 5008 1 14 . 1 1 57 57 PRO HA H 57 3.695 3.695 3.493 0.202 18657 5009 1 14 . 1 1 57 57 PRO C C 57 176.780 176.780 176.361 0.419 18657 5010 1 14 . 1 1 57 57 PRO CA C 57 66.142 66.142 64.447 1.695 18657 5011 1 14 . 1 1 57 57 PRO CB C 57 32.795 32.795 31.425 1.370 18657 5012 1 14 . 1 1 58 58 ASP N N 58 110.360 110.360 116.126 -5.766 18657 5013 1 14 . 1 1 58 58 ASP HA H 58 4.436 4.436 4.635 -0.199 18657 5014 1 14 . 1 1 58 58 ASP C C 58 176.945 176.945 175.954 0.991 18657 5015 1 14 . 1 1 58 58 ASP CA C 58 54.660 54.660 53.941 0.719 18657 5016 1 14 . 1 1 58 58 ASP CB C 58 39.716 39.716 40.609 -0.893 18657 5017 1 14 . 1 1 58 58 ASP H H 58 8.036 8.036 8.480 -0.444 18657 5018 1 14 . 1 1 59 59 MET N N 59 116.951 116.951 117.020 -0.069 18657 5019 1 14 . 1 1 59 59 MET HA H 59 4.642 4.642 4.855 -0.213 18657 5020 1 14 . 1 1 59 59 MET C C 59 174.817 174.817 174.721 0.096 18657 5021 1 14 . 1 1 59 59 MET CA C 59 56.757 56.757 55.297 1.460 18657 5022 1 14 . 1 1 59 59 MET CB C 59 33.587 33.587 34.563 -0.976 18657 5023 1 14 . 1 1 59 59 MET H H 59 8.066 8.066 7.345 0.721 18657 5024 1 14 . 1 1 60 60 VAL N N 60 117.470 117.470 120.828 -3.358 18657 5025 1 14 . 1 1 60 60 VAL HA H 60 4.351 4.351 4.500 -0.149 18657 5026 1 14 . 1 1 60 60 VAL C C 60 176.067 176.067 175.399 0.668 18657 5027 1 14 . 1 1 60 60 VAL CA C 60 61.229 61.229 60.396 0.833 18657 5028 1 14 . 1 1 60 60 VAL CB C 60 33.146 33.146 34.691 -1.545 18657 5029 1 14 . 1 1 60 60 VAL H H 60 7.109 7.109 7.240 -0.131 18657 5030 1 14 . 1 1 61 61 LYS N N 61 128.839 128.839 128.054 0.785 18657 5031 1 14 . 1 1 61 61 LYS HA H 61 4.122 4.122 4.435 -0.313 18657 5032 1 14 . 1 1 61 61 LYS C C 61 177.652 177.652 177.104 0.548 18657 5033 1 14 . 1 1 61 61 LYS CA C 61 58.146 58.146 56.362 1.784 18657 5034 1 14 . 1 1 61 61 LYS CB C 61 32.336 32.336 32.720 -0.384 18657 5035 1 14 . 1 1 61 61 LYS H H 61 9.069 9.069 8.224 0.845 18657 5036 1 14 . 1 1 62 62 GLY N N 62 113.363 113.363 109.296 4.067 18657 5037 1 14 . 1 1 62 62 GLY C C 62 174.621 174.621 174.498 0.123 18657 5038 1 14 . 1 1 62 62 GLY CA C 62 45.506 45.506 46.226 -0.720 18657 5039 1 14 . 1 1 62 62 GLY H H 62 9.094 9.094 8.674 0.420 18657 5040 1 14 . 1 1 63 63 TYR N N 63 120.959 120.959 119.501 1.458 18657 5041 1 14 . 1 1 63 63 TYR HA H 63 3.971 3.971 4.484 -0.513 18657 5042 1 14 . 1 1 63 63 TYR C C 63 174.228 174.228 174.722 -0.494 18657 5043 1 14 . 1 1 63 63 TYR CA C 63 60.374 60.374 58.268 2.106 18657 5044 1 14 . 1 1 63 63 TYR CB C 63 39.040 39.040 39.875 -0.835 18657 5045 1 14 . 1 1 63 63 TYR H H 63 7.564 7.564 7.370 0.194 18657 5046 1 14 . 1 1 64 64 ALA N N 64 129.533 129.533 122.927 6.606 18657 5047 1 14 . 1 1 64 64 ALA HA H 64 4.425 4.425 4.573 -0.148 18657 5048 1 14 . 1 1 64 64 ALA CA C 64 49.480 49.480 50.846 -1.367 18657 5049 1 14 . 1 1 64 64 ALA CB C 64 19.620 19.620 19.200 0.420 18657 5050 1 14 . 1 1 64 64 ALA H H 64 7.546 7.546 6.731 0.815 18657 5051 1 14 . 1 1 65 65 PRO HA H 65 4.250 4.250 4.509 -0.259 18657 5052 1 14 . 1 1 65 65 PRO C C 65 175.380 175.380 176.649 -1.269 18657 5053 1 14 . 1 1 65 65 PRO CA C 65 62.712 62.712 62.376 0.336 18657 5054 1 14 . 1 1 65 65 PRO CB C 65 32.210 32.210 32.471 -0.261 18657 5055 1 15 . 1 1 1 1 ASN HA H 1 4.703 4.703 4.888 -0.185 18657 5056 1 15 . 1 1 1 1 ASN C C 1 174.258 174.258 174.602 -0.344 18657 5057 1 15 . 1 1 1 1 ASN CA C 1 53.192 53.192 53.053 0.139 18657 5058 1 15 . 1 1 1 1 ASN CB C 1 38.954 38.954 39.354 -0.400 18657 5059 1 15 . 1 1 2 2 GLN N N 2 120.041 120.041 123.431 -3.390 18657 5060 1 15 . 1 1 2 2 GLN HA H 2 4.323 4.323 4.378 -0.055 18657 5061 1 15 . 1 1 2 2 GLN C C 2 176.004 176.004 175.270 0.734 18657 5062 1 15 . 1 1 2 2 GLN CA C 2 55.835 55.835 55.353 0.482 18657 5063 1 15 . 1 1 2 2 GLN CB C 2 29.640 29.640 29.267 0.373 18657 5064 1 15 . 1 1 2 2 GLN H H 2 8.597 8.597 8.580 0.017 18657 5065 1 15 . 1 1 3 3 GLU N N 3 124.166 124.166 127.396 -3.230 18657 5066 1 15 . 1 1 3 3 GLU HA H 3 4.294 4.294 4.506 -0.212 18657 5067 1 15 . 1 1 3 3 GLU C C 3 177.305 177.305 175.434 1.871 18657 5068 1 15 . 1 1 3 3 GLU CA C 3 56.597 56.597 55.741 0.856 18657 5069 1 15 . 1 1 3 3 GLU CB C 3 32.196 32.196 30.983 1.213 18657 5070 1 15 . 1 1 3 3 GLU H H 3 9.025 9.025 8.823 0.202 18657 5071 1 15 . 1 1 4 4 SER N N 4 118.222 118.222 120.685 -2.463 18657 5072 1 15 . 1 1 4 4 SER HA H 4 5.412 5.412 5.094 0.318 18657 5073 1 15 . 1 1 4 4 SER C C 4 171.713 171.713 173.901 -2.188 18657 5074 1 15 . 1 1 4 4 SER CA C 4 57.271 57.271 58.065 -0.794 18657 5075 1 15 . 1 1 4 4 SER CB C 4 66.319 66.319 65.103 1.216 18657 5076 1 15 . 1 1 4 4 SER H H 4 8.925 8.925 8.129 0.796 18657 5077 1 15 . 1 1 5 5 VAL N N 5 122.304 122.304 123.330 -1.026 18657 5078 1 15 . 1 1 5 5 VAL HA H 5 4.156 4.156 4.413 -0.257 18657 5079 1 15 . 1 1 5 5 VAL C C 5 174.325 174.325 175.664 -1.339 18657 5080 1 15 . 1 1 5 5 VAL CA C 5 63.408 63.408 63.661 -0.253 18657 5081 1 15 . 1 1 5 5 VAL CB C 5 31.916 31.916 31.869 0.047 18657 5082 1 15 . 1 1 5 5 VAL H H 5 8.506 8.506 8.755 -0.249 18657 5083 1 15 . 1 1 6 6 VAL N N 6 126.068 126.068 126.556 -0.488 18657 5084 1 15 . 1 1 6 6 VAL HA H 6 4.512 4.512 4.301 0.211 18657 5085 1 15 . 1 1 6 6 VAL C C 6 174.958 174.958 174.724 0.234 18657 5086 1 15 . 1 1 6 6 VAL CA C 6 59.365 59.365 60.135 -0.770 18657 5087 1 15 . 1 1 6 6 VAL CB C 6 36.189 36.189 34.902 1.287 18657 5088 1 15 . 1 1 6 6 VAL H H 6 8.637 8.637 8.302 0.335 18657 5089 1 15 . 1 1 7 7 ALA N N 7 126.887 126.887 129.352 -2.465 18657 5090 1 15 . 1 1 7 7 ALA HA H 7 4.441 4.441 4.165 0.276 18657 5091 1 15 . 1 1 7 7 ALA C C 7 178.642 178.642 177.904 0.738 18657 5092 1 15 . 1 1 7 7 ALA CA C 7 53.079 53.079 52.572 0.507 18657 5093 1 15 . 1 1 7 7 ALA CB C 7 19.055 19.055 18.701 0.354 18657 5094 1 15 . 1 1 7 7 ALA H H 7 8.318 8.318 8.145 0.173 18657 5095 1 15 . 1 1 8 8 ALA N N 8 129.962 129.962 127.691 2.271 18657 5096 1 15 . 1 1 8 8 ALA HA H 8 4.162 4.162 4.116 0.046 18657 5097 1 15 . 1 1 8 8 ALA C C 8 174.975 174.975 177.077 -2.102 18657 5098 1 15 . 1 1 8 8 ALA CA C 8 52.229 52.229 53.941 -1.712 18657 5099 1 15 . 1 1 8 8 ALA CB C 8 19.350 19.350 19.249 0.101 18657 5100 1 15 . 1 1 8 8 ALA H H 8 9.248 9.248 8.265 0.983 18657 5101 1 15 . 1 1 9 9 GLN N N 9 111.285 111.285 112.593 -1.308 18657 5102 1 15 . 1 1 9 9 GLN HA H 9 4.510 4.510 4.408 0.102 18657 5103 1 15 . 1 1 9 9 GLN C C 9 172.373 172.373 174.265 -1.892 18657 5104 1 15 . 1 1 9 9 GLN CA C 9 52.613 52.613 53.612 -0.999 18657 5105 1 15 . 1 1 9 9 GLN CB C 9 32.673 32.673 30.726 1.947 18657 5106 1 15 . 1 1 9 9 GLN H H 9 7.709 7.709 7.484 0.225 18657 5107 1 15 . 1 1 10 10 LEU N N 10 120.553 120.553 122.254 -1.701 18657 5108 1 15 . 1 1 10 10 LEU HA H 10 4.541 4.541 4.278 0.263 18657 5109 1 15 . 1 1 10 10 LEU C C 10 177.120 177.120 175.561 1.559 18657 5110 1 15 . 1 1 10 10 LEU CA C 10 56.329 56.329 56.116 0.213 18657 5111 1 15 . 1 1 10 10 LEU CB C 10 41.176 41.176 42.127 -0.951 18657 5112 1 15 . 1 1 10 10 LEU H H 10 8.501 8.501 8.506 -0.005 18657 5113 1 15 . 1 1 11 11 ILE N N 11 132.775 132.775 128.596 4.179 18657 5114 1 15 . 1 1 11 11 ILE HA H 11 4.604 4.604 4.610 -0.006 18657 5115 1 15 . 1 1 11 11 ILE CA C 11 59.247 59.247 57.738 1.509 18657 5116 1 15 . 1 1 11 11 ILE CB C 11 39.630 39.630 40.441 -0.811 18657 5117 1 15 . 1 1 11 11 ILE H H 11 9.329 9.329 8.945 0.384 18657 5118 1 15 . 1 1 12 12 PRO HA H 12 4.392 4.392 4.525 -0.133 18657 5119 1 15 . 1 1 12 12 PRO C C 12 176.644 176.644 176.298 0.346 18657 5120 1 15 . 1 1 12 12 PRO CA C 12 61.904 61.904 61.389 0.515 18657 5121 1 15 . 1 1 12 12 PRO CB C 12 32.576 32.576 32.397 0.179 18657 5122 1 15 . 1 1 13 13 ILE N N 13 121.774 121.774 120.325 1.449 18657 5123 1 15 . 1 1 13 13 ILE HA H 13 3.380 3.380 3.588 -0.208 18657 5124 1 15 . 1 1 13 13 ILE C C 13 173.621 173.621 175.900 -2.279 18657 5125 1 15 . 1 1 13 13 ILE CA C 13 63.705 63.705 62.704 1.001 18657 5126 1 15 . 1 1 13 13 ILE CB C 13 38.836 38.836 38.555 0.281 18657 5127 1 15 . 1 1 13 13 ILE H H 13 7.938 7.938 8.148 -0.210 18657 5128 1 15 . 1 1 14 14 ASN N N 14 117.013 117.013 121.590 -4.577 18657 5129 1 15 . 1 1 14 14 ASN HA H 14 4.565 4.565 4.398 0.167 18657 5130 1 15 . 1 1 14 14 ASN C C 14 173.943 173.943 173.832 0.111 18657 5131 1 15 . 1 1 14 14 ASN CA C 14 55.344 55.344 54.938 0.406 18657 5132 1 15 . 1 1 14 14 ASN CB C 14 37.014 37.014 36.334 0.680 18657 5133 1 15 . 1 1 14 14 ASN H H 14 7.240 7.240 9.023 -1.783 18657 5134 1 15 . 1 1 15 15 THR N N 15 116.580 116.580 115.855 0.725 18657 5135 1 15 . 1 1 15 15 THR HA H 15 3.966 3.966 4.432 -0.466 18657 5136 1 15 . 1 1 15 15 THR C C 15 172.956 172.956 173.865 -0.909 18657 5137 1 15 . 1 1 15 15 THR CA C 15 64.332 64.332 61.876 2.457 18657 5138 1 15 . 1 1 15 15 THR CB C 15 69.532 69.532 69.772 -0.241 18657 5139 1 15 . 1 1 15 15 THR H H 15 7.313 7.313 7.467 -0.154 18657 5140 1 15 . 1 1 16 16 ALA N N 16 128.035 128.035 131.304 -3.269 18657 5141 1 15 . 1 1 16 16 ALA HA H 16 4.246 4.246 4.223 0.023 18657 5142 1 15 . 1 1 16 16 ALA C C 16 176.643 176.643 177.137 -0.494 18657 5143 1 15 . 1 1 16 16 ALA CA C 16 50.750 50.750 52.273 -1.523 18657 5144 1 15 . 1 1 16 16 ALA CB C 16 18.653 18.653 18.472 0.181 18657 5145 1 15 . 1 1 16 16 ALA H H 16 8.545 8.545 8.828 -0.283 18657 5146 1 15 . 1 1 17 17 LEU N N 17 125.094 125.094 126.847 -1.753 18657 5147 1 15 . 1 1 17 17 LEU HA H 17 4.505 4.505 4.278 0.227 18657 5148 1 15 . 1 1 17 17 LEU C C 17 178.848 178.848 177.043 1.805 18657 5149 1 15 . 1 1 17 17 LEU CA C 17 56.127 56.127 55.672 0.455 18657 5150 1 15 . 1 1 17 17 LEU CB C 17 42.573 42.573 42.560 0.013 18657 5151 1 15 . 1 1 17 17 LEU H H 17 9.114 9.114 8.411 0.703 18657 5152 1 15 . 1 1 18 18 THR N N 18 113.568 113.568 113.582 -0.014 18657 5153 1 15 . 1 1 18 18 THR HA H 18 4.623 4.623 4.427 0.196 18657 5154 1 15 . 1 1 18 18 THR C C 18 175.028 175.028 174.815 0.213 18657 5155 1 15 . 1 1 18 18 THR CA C 18 58.935 58.935 60.178 -1.243 18657 5156 1 15 . 1 1 18 18 THR CB C 18 71.185 71.185 71.203 -0.018 18657 5157 1 15 . 1 1 18 18 THR H H 18 7.980 7.980 8.001 -0.021 18657 5158 1 15 . 1 1 19 19 LEU N N 19 121.118 121.118 121.481 -0.363 18657 5159 1 15 . 1 1 19 19 LEU HA H 19 3.817 3.817 4.291 -0.474 18657 5160 1 15 . 1 1 19 19 LEU C C 19 179.309 179.309 176.682 2.627 18657 5161 1 15 . 1 1 19 19 LEU CA C 19 58.710 58.710 56.586 2.124 18657 5162 1 15 . 1 1 19 19 LEU CB C 19 42.213 42.213 41.834 0.379 18657 5163 1 15 . 1 1 19 19 LEU H H 19 8.882 8.882 8.544 0.338 18657 5164 1 15 . 1 1 20 20 VAL N N 20 110.454 110.454 110.146 0.308 18657 5165 1 15 . 1 1 20 20 VAL HA H 20 4.021 4.021 4.128 -0.107 18657 5166 1 15 . 1 1 20 20 VAL C C 20 176.778 176.778 175.924 0.854 18657 5167 1 15 . 1 1 20 20 VAL CA C 20 63.377 63.377 63.159 0.218 18657 5168 1 15 . 1 1 20 20 VAL CB C 20 31.558 31.558 31.942 -0.384 18657 5169 1 15 . 1 1 20 20 VAL H H 20 7.528 7.528 7.616 -0.088 18657 5170 1 15 . 1 1 21 21 MET N N 21 116.848 116.848 117.952 -1.104 18657 5171 1 15 . 1 1 21 21 MET HA H 21 3.940 3.940 4.572 -0.632 18657 5172 1 15 . 1 1 21 21 MET C C 21 175.514 175.514 175.173 0.341 18657 5173 1 15 . 1 1 21 21 MET CA C 21 57.965 57.965 55.601 2.364 18657 5174 1 15 . 1 1 21 21 MET CB C 21 32.889 32.889 34.593 -1.704 18657 5175 1 15 . 1 1 21 21 MET H H 21 7.518 7.518 8.048 -0.530 18657 5176 1 15 . 1 1 22 22 MET N N 22 116.986 116.986 117.221 -0.235 18657 5177 1 15 . 1 1 22 22 MET HA H 22 4.893 4.893 4.844 0.049 18657 5178 1 15 . 1 1 22 22 MET C C 22 173.981 173.981 174.819 -0.838 18657 5179 1 15 . 1 1 22 22 MET CA C 22 55.373 55.373 54.667 0.706 18657 5180 1 15 . 1 1 22 22 MET CB C 22 37.383 37.383 37.040 0.343 18657 5181 1 15 . 1 1 22 22 MET H H 22 7.709 7.709 7.349 0.359 18657 5182 1 15 . 1 1 23 23 THR N N 23 118.163 118.163 112.976 5.187 18657 5183 1 15 . 1 1 23 23 THR HA H 23 4.788 4.788 4.584 0.204 18657 5184 1 15 . 1 1 23 23 THR C C 23 172.307 172.307 172.565 -0.258 18657 5185 1 15 . 1 1 23 23 THR CA C 23 58.678 58.678 60.194 -1.516 18657 5186 1 15 . 1 1 23 23 THR CB C 23 69.836 69.836 70.526 -0.690 18657 5187 1 15 . 1 1 23 23 THR H H 23 9.041 9.041 8.186 0.855 18657 5188 1 15 . 1 1 24 24 THR N N 24 111.374 111.374 113.096 -1.722 18657 5189 1 15 . 1 1 24 24 THR HA H 24 5.691 5.691 5.089 0.602 18657 5190 1 15 . 1 1 24 24 THR C C 24 174.035 174.035 173.648 0.387 18657 5191 1 15 . 1 1 24 24 THR CA C 24 58.843 58.843 60.081 -1.238 18657 5192 1 15 . 1 1 24 24 THR CB C 24 71.456 71.456 71.079 0.377 18657 5193 1 15 . 1 1 24 24 THR H H 24 8.139 8.139 8.276 -0.137 18657 5194 1 15 . 1 1 25 25 ARG N N 25 119.402 119.402 122.951 -3.549 18657 5195 1 15 . 1 1 25 25 ARG HA H 25 4.575 4.575 4.406 0.169 18657 5196 1 15 . 1 1 25 25 ARG C C 25 174.979 174.979 173.646 1.333 18657 5197 1 15 . 1 1 25 25 ARG CA C 25 55.085 55.085 55.478 -0.393 18657 5198 1 15 . 1 1 25 25 ARG CB C 25 35.806 35.806 33.585 2.221 18657 5199 1 15 . 1 1 25 25 ARG H H 25 8.626 8.626 8.303 0.323 18657 5200 1 15 . 1 1 26 26 VAL N N 26 124.668 124.668 124.976 -0.308 18657 5201 1 15 . 1 1 26 26 VAL HA H 26 4.132 4.132 4.035 0.097 18657 5202 1 15 . 1 1 26 26 VAL C C 26 174.893 174.893 176.091 -1.198 18657 5203 1 15 . 1 1 26 26 VAL CA C 26 64.085 64.085 62.562 1.524 18657 5204 1 15 . 1 1 26 26 VAL CB C 26 30.450 30.450 30.271 0.179 18657 5205 1 15 . 1 1 26 26 VAL H H 26 9.050 9.050 8.395 0.655 18657 5206 1 15 . 1 1 27 27 VAL N N 27 123.136 123.136 123.495 -0.359 18657 5207 1 15 . 1 1 27 27 VAL HA H 27 4.649 4.649 4.594 0.055 18657 5208 1 15 . 1 1 27 27 VAL C C 27 174.747 174.747 173.851 0.896 18657 5209 1 15 . 1 1 27 27 VAL CA C 27 59.232 59.232 59.124 0.108 18657 5210 1 15 . 1 1 27 27 VAL CB C 27 36.205 36.205 35.446 0.759 18657 5211 1 15 . 1 1 27 27 VAL H H 27 8.266 8.266 7.863 0.403 18657 5212 1 15 . 1 1 28 28 SER N N 28 116.564 116.564 116.640 -0.076 18657 5213 1 15 . 1 1 28 28 SER HA H 28 4.535 4.535 4.902 -0.367 18657 5214 1 15 . 1 1 28 28 SER CA C 28 54.880 54.880 55.524 -0.644 18657 5215 1 15 . 1 1 28 28 SER CB C 28 64.922 64.922 64.355 0.567 18657 5216 1 15 . 1 1 28 28 SER H H 28 8.302 8.302 8.181 0.121 18657 5217 1 15 . 1 1 29 29 PRO HA H 29 4.774 4.774 4.718 0.056 18657 5218 1 15 . 1 1 29 29 PRO C C 29 176.324 176.324 175.726 0.598 18657 5219 1 15 . 1 1 29 29 PRO CA C 29 62.543 62.543 62.467 0.076 18657 5220 1 15 . 1 1 29 29 PRO CB C 29 34.561 34.561 32.668 1.893 18657 5221 1 15 . 1 1 30 30 THR N N 30 113.418 113.418 111.914 1.504 18657 5222 1 15 . 1 1 30 30 THR HA H 30 3.830 3.830 4.350 -0.520 18657 5223 1 15 . 1 1 30 30 THR C C 30 174.556 174.556 174.099 0.457 18657 5224 1 15 . 1 1 30 30 THR CA C 30 62.846 62.846 61.627 1.219 18657 5225 1 15 . 1 1 30 30 THR CB C 30 69.384 69.384 69.788 -0.404 18657 5226 1 15 . 1 1 30 30 THR H H 30 8.492 8.492 8.188 0.304 18657 5227 1 15 . 1 1 31 31 GLY N N 31 109.224 109.224 109.513 -0.289 18657 5228 1 15 . 1 1 31 31 GLY C C 31 174.722 174.722 173.423 1.299 18657 5229 1 15 . 1 1 31 31 GLY CA C 31 44.844 44.844 43.414 1.430 18657 5230 1 15 . 1 1 31 31 GLY H H 31 8.054 8.054 8.101 -0.047 18657 5231 1 15 . 1 1 32 32 ILE N N 32 128.549 128.549 122.531 6.018 18657 5232 1 15 . 1 1 32 32 ILE HA H 32 3.959 3.959 4.006 -0.047 18657 5233 1 15 . 1 1 32 32 ILE CA C 32 61.251 61.251 62.052 -0.801 18657 5234 1 15 . 1 1 32 32 ILE CB C 32 39.665 39.665 37.495 2.170 18657 5235 1 15 . 1 1 32 32 ILE H H 32 8.820 8.820 7.966 0.854 18657 5236 1 15 . 1 1 33 33 PRO HA H 33 4.777 4.777 4.595 0.182 18657 5237 1 15 . 1 1 33 33 PRO C C 33 177.878 177.878 177.326 0.552 18657 5238 1 15 . 1 1 33 33 PRO CA C 33 63.110 63.110 62.403 0.707 18657 5239 1 15 . 1 1 33 33 PRO CB C 33 32.793 32.793 32.181 0.612 18657 5240 1 15 . 1 1 34 34 ALA N N 34 123.151 123.151 125.827 -2.676 18657 5241 1 15 . 1 1 34 34 ALA HA H 34 3.722 3.722 4.042 -0.320 18657 5242 1 15 . 1 1 34 34 ALA C C 34 179.547 179.547 179.497 0.050 18657 5243 1 15 . 1 1 34 34 ALA CA C 34 54.835 54.835 54.865 -0.031 18657 5244 1 15 . 1 1 34 34 ALA CB C 34 19.974 19.974 18.551 1.423 18657 5245 1 15 . 1 1 34 34 ALA H H 34 7.973 7.973 8.740 -0.767 18657 5246 1 15 . 1 1 35 35 GLU N N 35 116.421 116.421 117.307 -0.886 18657 5247 1 15 . 1 1 35 35 GLU HA H 35 4.022 4.022 4.127 -0.105 18657 5248 1 15 . 1 1 35 35 GLU C C 35 176.479 176.479 176.409 0.070 18657 5249 1 15 . 1 1 35 35 GLU CA C 35 58.966 58.966 58.158 0.808 18657 5250 1 15 . 1 1 35 35 GLU CB C 35 28.642 28.642 29.092 -0.450 18657 5251 1 15 . 1 1 35 35 GLU H H 35 9.247 9.247 8.600 0.647 18657 5252 1 15 . 1 1 36 36 ASP N N 36 118.097 118.097 118.858 -0.761 18657 5253 1 15 . 1 1 36 36 ASP HA H 36 4.955 4.955 4.876 0.079 18657 5254 1 15 . 1 1 36 36 ASP C C 36 176.823 176.823 176.713 0.110 18657 5255 1 15 . 1 1 36 36 ASP CA C 36 54.568 54.568 53.912 0.656 18657 5256 1 15 . 1 1 36 36 ASP CB C 36 40.971 40.971 40.507 0.464 18657 5257 1 15 . 1 1 36 36 ASP H H 36 8.146 8.146 8.316 -0.170 18657 5258 1 15 . 1 1 37 37 ILE N N 37 121.429 121.429 122.732 -1.303 18657 5259 1 15 . 1 1 37 37 ILE HA H 37 3.636 3.636 3.962 -0.326 18657 5260 1 15 . 1 1 37 37 ILE CA C 37 68.859 68.859 67.543 1.316 18657 5261 1 15 . 1 1 37 37 ILE CB C 37 35.859 35.859 36.389 -0.530 18657 5262 1 15 . 1 1 37 37 ILE H H 37 7.520 7.520 7.902 -0.382 18657 5263 1 15 . 1 1 38 38 PRO HA H 38 4.183 4.183 4.408 -0.225 18657 5264 1 15 . 1 1 38 38 PRO C C 38 179.052 179.052 176.940 2.112 18657 5265 1 15 . 1 1 38 38 PRO CA C 38 65.906 65.906 64.554 1.352 18657 5266 1 15 . 1 1 38 38 PRO CB C 38 31.030 31.030 31.010 0.020 18657 5267 1 15 . 1 1 39 39 ARG N N 39 115.064 115.064 117.007 -1.943 18657 5268 1 15 . 1 1 39 39 ARG HA H 39 4.237 4.237 4.375 -0.138 18657 5269 1 15 . 1 1 39 39 ARG C C 39 176.002 176.002 177.886 -1.884 18657 5270 1 15 . 1 1 39 39 ARG CA C 39 57.362 57.362 57.975 -0.613 18657 5271 1 15 . 1 1 39 39 ARG CB C 39 30.510 30.510 31.305 -0.795 18657 5272 1 15 . 1 1 39 39 ARG H H 39 7.367 7.367 7.968 -0.601 18657 5273 1 15 . 1 1 40 40 LEU N N 40 118.158 118.158 118.520 -0.362 18657 5274 1 15 . 1 1 40 40 LEU HA H 40 4.080 4.080 4.354 -0.274 18657 5275 1 15 . 1 1 40 40 LEU C C 40 177.804 177.804 177.109 0.695 18657 5276 1 15 . 1 1 40 40 LEU CA C 40 55.770 55.770 55.570 0.200 18657 5277 1 15 . 1 1 40 40 LEU CB C 40 42.782 42.782 41.778 1.004 18657 5278 1 15 . 1 1 40 40 LEU H H 40 7.782 7.782 8.317 -0.535 18657 5279 1 15 . 1 1 41 41 ILE N N 41 115.608 115.608 117.754 -2.146 18657 5280 1 15 . 1 1 41 41 ILE HA H 41 3.345 3.345 3.767 -0.422 18657 5281 1 15 . 1 1 41 41 ILE C C 41 178.078 178.078 176.320 1.758 18657 5282 1 15 . 1 1 41 41 ILE CA C 41 62.606 62.606 63.251 -0.645 18657 5283 1 15 . 1 1 41 41 ILE CB C 41 36.606 36.606 36.362 0.244 18657 5284 1 15 . 1 1 41 41 ILE H H 41 6.799 6.799 7.533 -0.734 18657 5285 1 15 . 1 1 42 42 SER N N 42 121.395 121.395 118.640 2.755 18657 5286 1 15 . 1 1 42 42 SER HA H 42 3.991 3.991 4.119 -0.128 18657 5287 1 15 . 1 1 42 42 SER C C 42 173.816 173.816 173.777 0.039 18657 5288 1 15 . 1 1 42 42 SER CA C 42 62.348 62.348 60.251 2.097 18657 5289 1 15 . 1 1 42 42 SER CB C 42 62.947 62.947 63.400 -0.453 18657 5290 1 15 . 1 1 42 42 SER H H 42 9.328 9.328 8.920 0.408 18657 5291 1 15 . 1 1 43 43 MET N N 43 123.672 123.672 120.729 2.943 18657 5292 1 15 . 1 1 43 43 MET HA H 43 4.449 4.449 4.633 -0.184 18657 5293 1 15 . 1 1 43 43 MET C C 43 175.128 175.128 176.028 -0.900 18657 5294 1 15 . 1 1 43 43 MET CA C 43 57.119 57.119 55.159 1.960 18657 5295 1 15 . 1 1 43 43 MET CB C 43 32.831 32.831 33.403 -0.572 18657 5296 1 15 . 1 1 43 43 MET H H 43 8.806 8.806 8.014 0.792 18657 5297 1 15 . 1 1 44 44 GLN N N 44 118.463 118.463 122.879 -4.416 18657 5298 1 15 . 1 1 44 44 GLN HA H 44 5.256 5.256 4.729 0.527 18657 5299 1 15 . 1 1 44 44 GLN C C 44 177.035 177.035 175.877 1.158 18657 5300 1 15 . 1 1 44 44 GLN CA C 44 54.304 54.304 55.362 -1.058 18657 5301 1 15 . 1 1 44 44 GLN CB C 44 32.083 32.083 29.912 2.171 18657 5302 1 15 . 1 1 44 44 GLN H H 44 8.947 8.947 8.734 0.213 18657 5303 1 15 . 1 1 45 45 VAL N N 45 111.238 111.238 112.997 -1.759 18657 5304 1 15 . 1 1 45 45 VAL HA H 45 5.297 5.297 4.704 0.593 18657 5305 1 15 . 1 1 45 45 VAL C C 45 177.962 177.962 175.539 2.423 18657 5306 1 15 . 1 1 45 45 VAL CA C 45 59.950 59.950 59.272 0.678 18657 5307 1 15 . 1 1 45 45 VAL CB C 45 33.437 33.437 34.197 -0.760 18657 5308 1 15 . 1 1 45 45 VAL H H 45 7.564 7.564 7.996 -0.432 18657 5309 1 15 . 1 1 46 46 ASN N N 46 118.782 118.782 121.123 -2.341 18657 5310 1 15 . 1 1 46 46 ASN HA H 46 4.716 4.716 4.713 0.003 18657 5311 1 15 . 1 1 46 46 ASN C C 46 174.812 174.812 174.921 -0.109 18657 5312 1 15 . 1 1 46 46 ASN CA C 46 51.680 51.680 52.374 -0.694 18657 5313 1 15 . 1 1 46 46 ASN CB C 46 39.469 39.469 38.872 0.597 18657 5314 1 15 . 1 1 46 46 ASN H H 46 8.556 8.556 8.334 0.222 18657 5315 1 15 . 1 1 47 47 GLN N N 47 112.810 112.810 116.734 -3.924 18657 5316 1 15 . 1 1 47 47 GLN HA H 47 4.549 4.549 4.265 0.284 18657 5317 1 15 . 1 1 47 47 GLN C C 47 172.365 172.365 173.862 -1.497 18657 5318 1 15 . 1 1 47 47 GLN CA C 47 53.013 53.013 54.899 -1.886 18657 5319 1 15 . 1 1 47 47 GLN CB C 47 32.841 32.841 32.070 0.771 18657 5320 1 15 . 1 1 47 47 GLN H H 47 7.663 7.663 7.614 0.049 18657 5321 1 15 . 1 1 48 48 VAL N N 48 118.841 118.841 124.373 -5.532 18657 5322 1 15 . 1 1 48 48 VAL HA H 48 4.184 4.184 3.925 0.259 18657 5323 1 15 . 1 1 48 48 VAL C C 48 176.865 176.865 175.372 1.493 18657 5324 1 15 . 1 1 48 48 VAL CA C 48 62.932 62.932 63.748 -0.816 18657 5325 1 15 . 1 1 48 48 VAL CB C 48 31.788 31.788 31.980 -0.192 18657 5326 1 15 . 1 1 48 48 VAL H H 48 8.407 8.407 8.435 -0.028 18657 5327 1 15 . 1 1 49 49 VAL N N 49 130.600 130.600 127.783 2.817 18657 5328 1 15 . 1 1 49 49 VAL HA H 49 4.547 4.547 4.623 -0.076 18657 5329 1 15 . 1 1 49 49 VAL CA C 49 59.419 59.419 58.098 1.321 18657 5330 1 15 . 1 1 49 49 VAL CB C 49 33.236 33.236 32.721 0.515 18657 5331 1 15 . 1 1 49 49 VAL H H 49 9.165 9.165 9.005 0.160 18657 5332 1 15 . 1 1 50 50 PRO HA H 50 4.227 4.227 4.616 -0.389 18657 5333 1 15 . 1 1 50 50 PRO C C 50 176.512 176.512 176.212 0.300 18657 5334 1 15 . 1 1 50 50 PRO CA C 50 62.220 62.220 61.424 0.796 18657 5335 1 15 . 1 1 50 50 PRO CB C 50 32.282 32.282 32.567 -0.285 18657 5336 1 15 . 1 1 51 51 MET N N 51 123.146 123.146 119.505 3.641 18657 5337 1 15 . 1 1 51 51 MET HA H 51 3.322 3.322 4.051 -0.729 18657 5338 1 15 . 1 1 51 51 MET C C 51 176.953 176.953 177.822 -0.869 18657 5339 1 15 . 1 1 51 51 MET CA C 51 58.534 58.534 57.712 0.822 18657 5340 1 15 . 1 1 51 51 MET CB C 51 32.593 32.593 32.996 -0.403 18657 5341 1 15 . 1 1 51 51 MET H H 51 8.598 8.598 8.325 0.273 18657 5342 1 15 . 1 1 52 52 GLY N N 52 114.707 114.707 114.173 0.534 18657 5343 1 15 . 1 1 52 52 GLY C C 52 173.693 173.693 174.507 -0.814 18657 5344 1 15 . 1 1 52 52 GLY CA C 52 45.046 45.046 45.748 -0.702 18657 5345 1 15 . 1 1 52 52 GLY H H 52 8.852 8.852 9.125 -0.273 18657 5346 1 15 . 1 1 53 53 THR N N 53 119.372 119.372 120.657 -1.285 18657 5347 1 15 . 1 1 53 53 THR HA H 53 4.143 4.143 4.371 -0.228 18657 5348 1 15 . 1 1 53 53 THR C C 53 173.482 173.482 174.582 -1.100 18657 5349 1 15 . 1 1 53 53 THR CA C 53 63.363 63.363 62.729 0.634 18657 5350 1 15 . 1 1 53 53 THR CB C 53 69.448 69.448 68.972 0.476 18657 5351 1 15 . 1 1 53 53 THR H H 53 7.706 7.706 7.765 -0.059 18657 5352 1 15 . 1 1 54 54 THR N N 54 125.168 125.168 123.456 1.712 18657 5353 1 15 . 1 1 54 54 THR HA H 54 4.137 4.137 4.167 -0.030 18657 5354 1 15 . 1 1 54 54 THR C C 54 173.018 173.018 174.160 -1.142 18657 5355 1 15 . 1 1 54 54 THR CA C 54 63.314 63.314 64.931 -1.617 18657 5356 1 15 . 1 1 54 54 THR CB C 54 68.846 68.846 69.343 -0.497 18657 5357 1 15 . 1 1 54 54 THR H H 54 8.914 8.914 8.648 0.266 18657 5358 1 15 . 1 1 55 55 LEU N N 55 131.166 131.166 126.298 4.868 18657 5359 1 15 . 1 1 55 55 LEU HA H 55 4.298 4.298 4.507 -0.209 18657 5360 1 15 . 1 1 55 55 LEU C C 55 174.234 174.234 175.722 -1.488 18657 5361 1 15 . 1 1 55 55 LEU CA C 55 55.132 55.132 54.326 0.806 18657 5362 1 15 . 1 1 55 55 LEU CB C 55 42.317 42.317 43.856 -1.539 18657 5363 1 15 . 1 1 55 55 LEU H H 55 9.006 9.006 8.882 0.124 18657 5364 1 15 . 1 1 56 56 MET N N 56 126.627 126.627 123.140 3.487 18657 5365 1 15 . 1 1 56 56 MET HA H 56 5.043 5.043 4.859 0.184 18657 5366 1 15 . 1 1 56 56 MET CA C 56 51.058 51.058 52.372 -1.314 18657 5367 1 15 . 1 1 56 56 MET CB C 56 31.593 31.593 33.156 -1.563 18657 5368 1 15 . 1 1 56 56 MET H H 56 8.028 8.028 8.548 -0.520 18657 5369 1 15 . 1 1 57 57 PRO HA H 57 3.695 3.695 3.486 0.209 18657 5370 1 15 . 1 1 57 57 PRO C C 57 176.780 176.780 176.131 0.649 18657 5371 1 15 . 1 1 57 57 PRO CA C 57 66.142 66.142 64.260 1.882 18657 5372 1 15 . 1 1 57 57 PRO CB C 57 32.795 32.795 31.330 1.465 18657 5373 1 15 . 1 1 58 58 ASP N N 58 110.360 110.360 113.898 -3.538 18657 5374 1 15 . 1 1 58 58 ASP HA H 58 4.436 4.436 4.625 -0.189 18657 5375 1 15 . 1 1 58 58 ASP C C 58 176.945 176.945 175.908 1.037 18657 5376 1 15 . 1 1 58 58 ASP CA C 58 54.660 54.660 54.469 0.191 18657 5377 1 15 . 1 1 58 58 ASP CB C 58 39.716 39.716 40.186 -0.470 18657 5378 1 15 . 1 1 58 58 ASP H H 58 8.036 8.036 8.577 -0.541 18657 5379 1 15 . 1 1 59 59 MET N N 59 116.951 116.951 118.097 -1.146 18657 5380 1 15 . 1 1 59 59 MET HA H 59 4.642 4.642 4.796 -0.154 18657 5381 1 15 . 1 1 59 59 MET C C 59 174.817 174.817 174.489 0.328 18657 5382 1 15 . 1 1 59 59 MET CA C 59 56.757 56.757 55.615 1.142 18657 5383 1 15 . 1 1 59 59 MET CB C 59 33.587 33.587 34.634 -1.047 18657 5384 1 15 . 1 1 59 59 MET H H 59 8.066 8.066 7.347 0.719 18657 5385 1 15 . 1 1 60 60 VAL N N 60 117.470 117.470 120.135 -2.665 18657 5386 1 15 . 1 1 60 60 VAL HA H 60 4.351 4.351 4.486 -0.135 18657 5387 1 15 . 1 1 60 60 VAL C C 60 176.067 176.067 175.530 0.537 18657 5388 1 15 . 1 1 60 60 VAL CA C 60 61.229 61.229 59.571 1.658 18657 5389 1 15 . 1 1 60 60 VAL CB C 60 33.146 33.146 34.083 -0.937 18657 5390 1 15 . 1 1 60 60 VAL H H 60 7.109 7.109 7.225 -0.116 18657 5391 1 15 . 1 1 61 61 LYS N N 61 128.839 128.839 128.222 0.617 18657 5392 1 15 . 1 1 61 61 LYS HA H 61 4.122 4.122 4.449 -0.327 18657 5393 1 15 . 1 1 61 61 LYS C C 61 177.652 177.652 176.964 0.688 18657 5394 1 15 . 1 1 61 61 LYS CA C 61 58.146 58.146 55.951 2.195 18657 5395 1 15 . 1 1 61 61 LYS CB C 61 32.336 32.336 32.600 -0.265 18657 5396 1 15 . 1 1 61 61 LYS H H 61 9.069 9.069 8.231 0.838 18657 5397 1 15 . 1 1 62 62 GLY N N 62 113.363 113.363 109.204 4.159 18657 5398 1 15 . 1 1 62 62 GLY C C 62 174.621 174.621 174.462 0.159 18657 5399 1 15 . 1 1 62 62 GLY CA C 62 45.506 45.506 46.262 -0.756 18657 5400 1 15 . 1 1 62 62 GLY H H 62 9.094 9.094 8.670 0.424 18657 5401 1 15 . 1 1 63 63 TYR N N 63 120.959 120.959 119.655 1.304 18657 5402 1 15 . 1 1 63 63 TYR HA H 63 3.971 3.971 4.502 -0.531 18657 5403 1 15 . 1 1 63 63 TYR C C 63 174.228 174.228 174.749 -0.521 18657 5404 1 15 . 1 1 63 63 TYR CA C 63 60.374 60.374 58.076 2.298 18657 5405 1 15 . 1 1 63 63 TYR CB C 63 39.040 39.040 39.969 -0.929 18657 5406 1 15 . 1 1 63 63 TYR H H 63 7.564 7.564 7.406 0.158 18657 5407 1 15 . 1 1 64 64 ALA N N 64 129.533 129.533 122.931 6.602 18657 5408 1 15 . 1 1 64 64 ALA HA H 64 4.425 4.425 4.455 -0.030 18657 5409 1 15 . 1 1 64 64 ALA CA C 64 49.480 49.480 50.932 -1.452 18657 5410 1 15 . 1 1 64 64 ALA CB C 64 19.620 19.620 18.721 0.899 18657 5411 1 15 . 1 1 64 64 ALA H H 64 7.546 7.546 6.727 0.819 18657 5412 1 15 . 1 1 65 65 PRO HA H 65 4.250 4.250 4.495 -0.245 18657 5413 1 15 . 1 1 65 65 PRO C C 65 175.380 175.380 176.645 -1.265 18657 5414 1 15 . 1 1 65 65 PRO CA C 65 62.712 62.712 62.411 0.301 18657 5415 1 15 . 1 1 65 65 PRO CB C 65 32.210 32.210 32.376 -0.166 18657 5416 1 16 . 1 1 1 1 ASN HA H 1 4.703 4.703 4.874 -0.171 18657 5417 1 16 . 1 1 1 1 ASN C C 1 174.258 174.258 174.553 -0.295 18657 5418 1 16 . 1 1 1 1 ASN CA C 1 53.192 53.192 52.982 0.210 18657 5419 1 16 . 1 1 1 1 ASN CB C 1 38.954 38.954 39.786 -0.832 18657 5420 1 16 . 1 1 2 2 GLN N N 2 120.041 120.041 122.461 -2.420 18657 5421 1 16 . 1 1 2 2 GLN HA H 2 4.323 4.323 4.140 0.183 18657 5422 1 16 . 1 1 2 2 GLN C C 2 176.004 176.004 175.123 0.881 18657 5423 1 16 . 1 1 2 2 GLN CA C 2 55.835 55.835 56.101 -0.266 18657 5424 1 16 . 1 1 2 2 GLN CB C 2 29.640 29.640 29.101 0.539 18657 5425 1 16 . 1 1 2 2 GLN H H 2 8.597 8.597 8.538 0.059 18657 5426 1 16 . 1 1 3 3 GLU N N 3 124.166 124.166 125.784 -1.618 18657 5427 1 16 . 1 1 3 3 GLU HA H 3 4.294 4.294 4.531 -0.237 18657 5428 1 16 . 1 1 3 3 GLU C C 3 177.305 177.305 175.096 2.209 18657 5429 1 16 . 1 1 3 3 GLU CA C 3 56.597 56.597 55.198 1.399 18657 5430 1 16 . 1 1 3 3 GLU CB C 3 32.196 32.196 31.419 0.776 18657 5431 1 16 . 1 1 3 3 GLU H H 3 9.025 9.025 8.575 0.450 18657 5432 1 16 . 1 1 4 4 SER N N 4 118.222 118.222 120.780 -2.558 18657 5433 1 16 . 1 1 4 4 SER HA H 4 5.412 5.412 5.081 0.331 18657 5434 1 16 . 1 1 4 4 SER C C 4 171.713 171.713 174.063 -2.350 18657 5435 1 16 . 1 1 4 4 SER CA C 4 57.271 57.271 58.064 -0.793 18657 5436 1 16 . 1 1 4 4 SER CB C 4 66.319 66.319 64.991 1.328 18657 5437 1 16 . 1 1 4 4 SER H H 4 8.925 8.925 8.199 0.726 18657 5438 1 16 . 1 1 5 5 VAL N N 5 122.304 122.304 124.042 -1.738 18657 5439 1 16 . 1 1 5 5 VAL HA H 5 4.156 4.156 4.436 -0.280 18657 5440 1 16 . 1 1 5 5 VAL C C 5 174.325 174.325 175.691 -1.366 18657 5441 1 16 . 1 1 5 5 VAL CA C 5 63.408 63.408 64.504 -1.097 18657 5442 1 16 . 1 1 5 5 VAL CB C 5 31.916 31.916 32.121 -0.205 18657 5443 1 16 . 1 1 5 5 VAL H H 5 8.506 8.506 8.794 -0.288 18657 5444 1 16 . 1 1 6 6 VAL N N 6 126.068 126.068 126.512 -0.444 18657 5445 1 16 . 1 1 6 6 VAL HA H 6 4.512 4.512 4.266 0.246 18657 5446 1 16 . 1 1 6 6 VAL C C 6 174.958 174.958 174.718 0.240 18657 5447 1 16 . 1 1 6 6 VAL CA C 6 59.365 59.365 60.437 -1.072 18657 5448 1 16 . 1 1 6 6 VAL CB C 6 36.189 36.189 35.251 0.938 18657 5449 1 16 . 1 1 6 6 VAL H H 6 8.637 8.637 8.527 0.110 18657 5450 1 16 . 1 1 7 7 ALA N N 7 126.887 126.887 129.403 -2.516 18657 5451 1 16 . 1 1 7 7 ALA HA H 7 4.441 4.441 4.345 0.096 18657 5452 1 16 . 1 1 7 7 ALA C C 7 178.642 178.642 177.851 0.791 18657 5453 1 16 . 1 1 7 7 ALA CA C 7 53.079 53.079 52.392 0.686 18657 5454 1 16 . 1 1 7 7 ALA CB C 7 19.055 19.055 18.706 0.349 18657 5455 1 16 . 1 1 7 7 ALA H H 7 8.318 8.318 8.123 0.195 18657 5456 1 16 . 1 1 8 8 ALA N N 8 129.962 129.962 128.038 1.924 18657 5457 1 16 . 1 1 8 8 ALA HA H 8 4.162 4.162 4.132 0.030 18657 5458 1 16 . 1 1 8 8 ALA C C 8 174.975 174.975 177.155 -2.180 18657 5459 1 16 . 1 1 8 8 ALA CA C 8 52.229 52.229 54.075 -1.847 18657 5460 1 16 . 1 1 8 8 ALA CB C 8 19.350 19.350 19.296 0.054 18657 5461 1 16 . 1 1 8 8 ALA H H 8 9.248 9.248 8.362 0.886 18657 5462 1 16 . 1 1 9 9 GLN N N 9 111.285 111.285 113.312 -2.027 18657 5463 1 16 . 1 1 9 9 GLN HA H 9 4.510 4.510 4.459 0.051 18657 5464 1 16 . 1 1 9 9 GLN C C 9 172.373 172.373 174.313 -1.940 18657 5465 1 16 . 1 1 9 9 GLN CA C 9 52.613 52.613 53.235 -0.622 18657 5466 1 16 . 1 1 9 9 GLN CB C 9 32.673 32.673 31.249 1.424 18657 5467 1 16 . 1 1 9 9 GLN H H 9 7.709 7.709 7.632 0.077 18657 5468 1 16 . 1 1 10 10 LEU N N 10 120.553 120.553 122.720 -2.167 18657 5469 1 16 . 1 1 10 10 LEU HA H 10 4.541 4.541 4.379 0.162 18657 5470 1 16 . 1 1 10 10 LEU C C 10 177.120 177.120 175.550 1.570 18657 5471 1 16 . 1 1 10 10 LEU CA C 10 56.329 56.329 55.693 0.636 18657 5472 1 16 . 1 1 10 10 LEU CB C 10 41.176 41.176 41.893 -0.717 18657 5473 1 16 . 1 1 10 10 LEU H H 10 8.501 8.501 8.439 0.062 18657 5474 1 16 . 1 1 11 11 ILE N N 11 132.775 132.775 129.101 3.674 18657 5475 1 16 . 1 1 11 11 ILE HA H 11 4.604 4.604 4.573 0.031 18657 5476 1 16 . 1 1 11 11 ILE CA C 11 59.247 59.247 57.887 1.360 18657 5477 1 16 . 1 1 11 11 ILE CB C 11 39.630 39.630 39.761 -0.132 18657 5478 1 16 . 1 1 11 11 ILE H H 11 9.329 9.329 8.955 0.374 18657 5479 1 16 . 1 1 12 12 PRO HA H 12 4.392 4.392 4.436 -0.044 18657 5480 1 16 . 1 1 12 12 PRO C C 12 176.644 176.644 176.314 0.330 18657 5481 1 16 . 1 1 12 12 PRO CA C 12 61.904 61.904 61.755 0.149 18657 5482 1 16 . 1 1 12 12 PRO CB C 12 32.576 32.576 32.200 0.376 18657 5483 1 16 . 1 1 13 13 ILE N N 13 121.774 121.774 119.116 2.658 18657 5484 1 16 . 1 1 13 13 ILE HA H 13 3.380 3.380 3.720 -0.340 18657 5485 1 16 . 1 1 13 13 ILE C C 13 173.621 173.621 176.671 -3.050 18657 5486 1 16 . 1 1 13 13 ILE CA C 13 63.705 63.705 62.022 1.683 18657 5487 1 16 . 1 1 13 13 ILE CB C 13 38.836 38.836 39.087 -0.251 18657 5488 1 16 . 1 1 13 13 ILE H H 13 7.938 7.938 8.123 -0.185 18657 5489 1 16 . 1 1 14 14 ASN N N 14 117.013 117.013 124.174 -7.161 18657 5490 1 16 . 1 1 14 14 ASN HA H 14 4.565 4.565 4.394 0.171 18657 5491 1 16 . 1 1 14 14 ASN C C 14 173.943 173.943 173.668 0.275 18657 5492 1 16 . 1 1 14 14 ASN CA C 14 55.344 55.344 54.622 0.722 18657 5493 1 16 . 1 1 14 14 ASN CB C 14 37.014 37.014 37.315 -0.301 18657 5494 1 16 . 1 1 14 14 ASN H H 14 7.240 7.240 9.152 -1.912 18657 5495 1 16 . 1 1 15 15 THR N N 15 116.580 116.580 115.204 1.376 18657 5496 1 16 . 1 1 15 15 THR HA H 15 3.966 3.966 4.459 -0.493 18657 5497 1 16 . 1 1 15 15 THR C C 15 172.956 172.956 173.772 -0.816 18657 5498 1 16 . 1 1 15 15 THR CA C 15 64.332 64.332 61.783 2.549 18657 5499 1 16 . 1 1 15 15 THR CB C 15 69.532 69.532 70.062 -0.530 18657 5500 1 16 . 1 1 15 15 THR H H 15 7.313 7.313 7.466 -0.153 18657 5501 1 16 . 1 1 16 16 ALA N N 16 128.035 128.035 131.274 -3.239 18657 5502 1 16 . 1 1 16 16 ALA HA H 16 4.246 4.246 4.211 0.035 18657 5503 1 16 . 1 1 16 16 ALA C C 16 176.643 176.643 177.099 -0.456 18657 5504 1 16 . 1 1 16 16 ALA CA C 16 50.750 50.750 52.390 -1.640 18657 5505 1 16 . 1 1 16 16 ALA CB C 16 18.653 18.653 18.497 0.155 18657 5506 1 16 . 1 1 16 16 ALA H H 16 8.545 8.545 8.814 -0.269 18657 5507 1 16 . 1 1 17 17 LEU N N 17 125.094 125.094 126.976 -1.882 18657 5508 1 16 . 1 1 17 17 LEU HA H 17 4.505 4.505 4.295 0.210 18657 5509 1 16 . 1 1 17 17 LEU C C 17 178.848 178.848 177.129 1.719 18657 5510 1 16 . 1 1 17 17 LEU CA C 17 56.127 56.127 55.624 0.502 18657 5511 1 16 . 1 1 17 17 LEU CB C 17 42.573 42.573 42.610 -0.037 18657 5512 1 16 . 1 1 17 17 LEU H H 17 9.114 9.114 8.406 0.708 18657 5513 1 16 . 1 1 18 18 THR N N 18 113.568 113.568 113.438 0.130 18657 5514 1 16 . 1 1 18 18 THR HA H 18 4.623 4.623 4.424 0.199 18657 5515 1 16 . 1 1 18 18 THR C C 18 175.028 175.028 174.838 0.190 18657 5516 1 16 . 1 1 18 18 THR CA C 18 58.935 58.935 60.205 -1.270 18657 5517 1 16 . 1 1 18 18 THR CB C 18 71.185 71.185 71.318 -0.133 18657 5518 1 16 . 1 1 18 18 THR H H 18 7.980 7.980 8.004 -0.024 18657 5519 1 16 . 1 1 19 19 LEU N N 19 121.118 121.118 122.342 -1.224 18657 5520 1 16 . 1 1 19 19 LEU HA H 19 3.817 3.817 4.270 -0.453 18657 5521 1 16 . 1 1 19 19 LEU C C 19 179.309 179.309 177.220 2.089 18657 5522 1 16 . 1 1 19 19 LEU CA C 19 58.710 58.710 56.979 1.731 18657 5523 1 16 . 1 1 19 19 LEU CB C 19 42.213 42.213 41.425 0.788 18657 5524 1 16 . 1 1 19 19 LEU H H 19 8.882 8.882 8.618 0.264 18657 5525 1 16 . 1 1 20 20 VAL N N 20 110.454 110.454 111.433 -0.979 18657 5526 1 16 . 1 1 20 20 VAL HA H 20 4.021 4.021 4.138 -0.117 18657 5527 1 16 . 1 1 20 20 VAL C C 20 176.778 176.778 175.717 1.061 18657 5528 1 16 . 1 1 20 20 VAL CA C 20 63.377 63.377 63.837 -0.460 18657 5529 1 16 . 1 1 20 20 VAL CB C 20 31.558 31.558 31.951 -0.393 18657 5530 1 16 . 1 1 20 20 VAL H H 20 7.528 7.528 7.795 -0.267 18657 5531 1 16 . 1 1 21 21 MET N N 21 116.848 116.848 117.582 -0.734 18657 5532 1 16 . 1 1 21 21 MET HA H 21 3.940 3.940 4.589 -0.649 18657 5533 1 16 . 1 1 21 21 MET C C 21 175.514 175.514 175.278 0.236 18657 5534 1 16 . 1 1 21 21 MET CA C 21 57.965 57.965 55.645 2.320 18657 5535 1 16 . 1 1 21 21 MET CB C 21 32.889 32.889 34.939 -2.050 18657 5536 1 16 . 1 1 21 21 MET H H 21 7.518 7.518 8.031 -0.513 18657 5537 1 16 . 1 1 22 22 MET N N 22 116.986 116.986 117.708 -0.722 18657 5538 1 16 . 1 1 22 22 MET HA H 22 4.893 4.893 4.888 0.005 18657 5539 1 16 . 1 1 22 22 MET C C 22 173.981 173.981 174.700 -0.719 18657 5540 1 16 . 1 1 22 22 MET CA C 22 55.373 55.373 54.669 0.704 18657 5541 1 16 . 1 1 22 22 MET CB C 22 37.383 37.383 37.167 0.216 18657 5542 1 16 . 1 1 22 22 MET H H 22 7.709 7.709 7.352 0.357 18657 5543 1 16 . 1 1 23 23 THR N N 23 118.163 118.163 113.261 4.902 18657 5544 1 16 . 1 1 23 23 THR HA H 23 4.788 4.788 4.645 0.143 18657 5545 1 16 . 1 1 23 23 THR C C 23 172.307 172.307 172.397 -0.090 18657 5546 1 16 . 1 1 23 23 THR CA C 23 58.678 58.678 60.458 -1.780 18657 5547 1 16 . 1 1 23 23 THR CB C 23 69.836 69.836 70.350 -0.514 18657 5548 1 16 . 1 1 23 23 THR H H 23 9.041 9.041 8.267 0.774 18657 5549 1 16 . 1 1 24 24 THR N N 24 111.374 111.374 113.138 -1.764 18657 5550 1 16 . 1 1 24 24 THR HA H 24 5.691 5.691 5.100 0.591 18657 5551 1 16 . 1 1 24 24 THR C C 24 174.035 174.035 173.664 0.371 18657 5552 1 16 . 1 1 24 24 THR CA C 24 58.843 58.843 60.052 -1.209 18657 5553 1 16 . 1 1 24 24 THR CB C 24 71.456 71.456 71.323 0.133 18657 5554 1 16 . 1 1 24 24 THR H H 24 8.139 8.139 8.239 -0.100 18657 5555 1 16 . 1 1 25 25 ARG N N 25 119.402 119.402 123.647 -4.245 18657 5556 1 16 . 1 1 25 25 ARG HA H 25 4.575 4.575 4.435 0.140 18657 5557 1 16 . 1 1 25 25 ARG C C 25 174.979 174.979 173.741 1.238 18657 5558 1 16 . 1 1 25 25 ARG CA C 25 55.085 55.085 55.610 -0.525 18657 5559 1 16 . 1 1 25 25 ARG CB C 25 35.806 35.806 33.717 2.089 18657 5560 1 16 . 1 1 25 25 ARG H H 25 8.626 8.626 8.341 0.285 18657 5561 1 16 . 1 1 26 26 VAL N N 26 124.668 124.668 125.826 -1.158 18657 5562 1 16 . 1 1 26 26 VAL HA H 26 4.132 4.132 4.191 -0.059 18657 5563 1 16 . 1 1 26 26 VAL C C 26 174.893 174.893 176.319 -1.426 18657 5564 1 16 . 1 1 26 26 VAL CA C 26 64.085 64.085 62.310 1.775 18657 5565 1 16 . 1 1 26 26 VAL CB C 26 30.450 30.450 29.900 0.550 18657 5566 1 16 . 1 1 26 26 VAL H H 26 9.050 9.050 8.423 0.627 18657 5567 1 16 . 1 1 27 27 VAL N N 27 123.136 123.136 123.391 -0.255 18657 5568 1 16 . 1 1 27 27 VAL HA H 27 4.649 4.649 4.552 0.097 18657 5569 1 16 . 1 1 27 27 VAL C C 27 174.747 174.747 174.177 0.570 18657 5570 1 16 . 1 1 27 27 VAL CA C 27 59.232 59.232 59.401 -0.169 18657 5571 1 16 . 1 1 27 27 VAL CB C 27 36.205 36.205 35.225 0.980 18657 5572 1 16 . 1 1 27 27 VAL H H 27 8.266 8.266 7.966 0.300 18657 5573 1 16 . 1 1 28 28 SER N N 28 116.564 116.564 116.467 0.097 18657 5574 1 16 . 1 1 28 28 SER HA H 28 4.535 4.535 4.937 -0.402 18657 5575 1 16 . 1 1 28 28 SER CA C 28 54.880 54.880 55.482 -0.602 18657 5576 1 16 . 1 1 28 28 SER CB C 28 64.922 64.922 64.427 0.495 18657 5577 1 16 . 1 1 28 28 SER H H 28 8.302 8.302 8.165 0.137 18657 5578 1 16 . 1 1 29 29 PRO HA H 29 4.774 4.774 4.721 0.053 18657 5579 1 16 . 1 1 29 29 PRO C C 29 176.324 176.324 175.868 0.456 18657 5580 1 16 . 1 1 29 29 PRO CA C 29 62.543 62.543 62.401 0.142 18657 5581 1 16 . 1 1 29 29 PRO CB C 29 34.561 34.561 32.914 1.647 18657 5582 1 16 . 1 1 30 30 THR N N 30 113.418 113.418 112.012 1.406 18657 5583 1 16 . 1 1 30 30 THR HA H 30 3.830 3.830 4.287 -0.457 18657 5584 1 16 . 1 1 30 30 THR C C 30 174.556 174.556 174.222 0.334 18657 5585 1 16 . 1 1 30 30 THR CA C 30 62.846 62.846 62.101 0.745 18657 5586 1 16 . 1 1 30 30 THR CB C 30 69.384 69.384 69.361 0.023 18657 5587 1 16 . 1 1 30 30 THR H H 30 8.492 8.492 8.249 0.243 18657 5588 1 16 . 1 1 31 31 GLY N N 31 109.224 109.224 109.153 0.071 18657 5589 1 16 . 1 1 31 31 GLY C C 31 174.722 174.722 173.389 1.333 18657 5590 1 16 . 1 1 31 31 GLY CA C 31 44.844 44.844 43.505 1.339 18657 5591 1 16 . 1 1 31 31 GLY H H 31 8.054 8.054 8.018 0.036 18657 5592 1 16 . 1 1 32 32 ILE N N 32 128.549 128.549 122.652 5.897 18657 5593 1 16 . 1 1 32 32 ILE HA H 32 3.959 3.959 4.001 -0.042 18657 5594 1 16 . 1 1 32 32 ILE CA C 32 61.251 61.251 62.114 -0.862 18657 5595 1 16 . 1 1 32 32 ILE CB C 32 39.665 39.665 37.601 2.064 18657 5596 1 16 . 1 1 32 32 ILE H H 32 8.820 8.820 8.220 0.600 18657 5597 1 16 . 1 1 33 33 PRO HA H 33 4.777 4.777 4.570 0.207 18657 5598 1 16 . 1 1 33 33 PRO C C 33 177.878 177.878 177.234 0.644 18657 5599 1 16 . 1 1 33 33 PRO CA C 33 63.110 63.110 62.484 0.626 18657 5600 1 16 . 1 1 33 33 PRO CB C 33 32.793 32.793 32.129 0.664 18657 5601 1 16 . 1 1 34 34 ALA N N 34 123.151 123.151 126.380 -3.229 18657 5602 1 16 . 1 1 34 34 ALA HA H 34 3.722 3.722 4.042 -0.320 18657 5603 1 16 . 1 1 34 34 ALA C C 34 179.547 179.547 179.468 0.079 18657 5604 1 16 . 1 1 34 34 ALA CA C 34 54.835 54.835 54.850 -0.015 18657 5605 1 16 . 1 1 34 34 ALA CB C 34 19.974 19.974 18.558 1.416 18657 5606 1 16 . 1 1 34 34 ALA H H 34 7.973 7.973 8.837 -0.864 18657 5607 1 16 . 1 1 35 35 GLU N N 35 116.421 116.421 117.246 -0.825 18657 5608 1 16 . 1 1 35 35 GLU HA H 35 4.022 4.022 4.136 -0.114 18657 5609 1 16 . 1 1 35 35 GLU C C 35 176.479 176.479 176.364 0.115 18657 5610 1 16 . 1 1 35 35 GLU CA C 35 58.966 58.966 58.131 0.835 18657 5611 1 16 . 1 1 35 35 GLU CB C 35 28.642 28.642 29.090 -0.448 18657 5612 1 16 . 1 1 35 35 GLU H H 35 9.247 9.247 8.611 0.636 18657 5613 1 16 . 1 1 36 36 ASP N N 36 118.097 118.097 118.819 -0.722 18657 5614 1 16 . 1 1 36 36 ASP HA H 36 4.955 4.955 4.887 0.068 18657 5615 1 16 . 1 1 36 36 ASP C C 36 176.823 176.823 176.706 0.117 18657 5616 1 16 . 1 1 36 36 ASP CA C 36 54.568 54.568 53.757 0.811 18657 5617 1 16 . 1 1 36 36 ASP CB C 36 40.971 40.971 40.528 0.443 18657 5618 1 16 . 1 1 36 36 ASP H H 36 8.146 8.146 8.309 -0.163 18657 5619 1 16 . 1 1 37 37 ILE N N 37 121.429 121.429 122.744 -1.315 18657 5620 1 16 . 1 1 37 37 ILE HA H 37 3.636 3.636 3.956 -0.320 18657 5621 1 16 . 1 1 37 37 ILE CA C 37 68.859 68.859 67.504 1.355 18657 5622 1 16 . 1 1 37 37 ILE CB C 37 35.859 35.859 36.393 -0.534 18657 5623 1 16 . 1 1 37 37 ILE H H 37 7.520 7.520 7.847 -0.327 18657 5624 1 16 . 1 1 38 38 PRO HA H 38 4.183 4.183 4.399 -0.216 18657 5625 1 16 . 1 1 38 38 PRO C C 38 179.052 179.052 177.108 1.944 18657 5626 1 16 . 1 1 38 38 PRO CA C 38 65.906 65.906 64.693 1.213 18657 5627 1 16 . 1 1 38 38 PRO CB C 38 31.030 31.030 31.114 -0.084 18657 5628 1 16 . 1 1 39 39 ARG N N 39 115.064 115.064 116.815 -1.751 18657 5629 1 16 . 1 1 39 39 ARG HA H 39 4.237 4.237 4.323 -0.086 18657 5630 1 16 . 1 1 39 39 ARG C C 39 176.002 176.002 177.879 -1.877 18657 5631 1 16 . 1 1 39 39 ARG CA C 39 57.362 57.362 58.197 -0.835 18657 5632 1 16 . 1 1 39 39 ARG CB C 39 30.510 30.510 31.190 -0.680 18657 5633 1 16 . 1 1 39 39 ARG H H 39 7.367 7.367 7.977 -0.610 18657 5634 1 16 . 1 1 40 40 LEU N N 40 118.158 118.158 118.211 -0.053 18657 5635 1 16 . 1 1 40 40 LEU HA H 40 4.080 4.080 4.389 -0.309 18657 5636 1 16 . 1 1 40 40 LEU C C 40 177.804 177.804 177.089 0.715 18657 5637 1 16 . 1 1 40 40 LEU CA C 40 55.770 55.770 55.319 0.451 18657 5638 1 16 . 1 1 40 40 LEU CB C 40 42.782 42.782 41.916 0.866 18657 5639 1 16 . 1 1 40 40 LEU H H 40 7.782 7.782 8.324 -0.542 18657 5640 1 16 . 1 1 41 41 ILE N N 41 115.608 115.608 118.407 -2.799 18657 5641 1 16 . 1 1 41 41 ILE HA H 41 3.345 3.345 3.791 -0.446 18657 5642 1 16 . 1 1 41 41 ILE C C 41 178.078 178.078 176.205 1.873 18657 5643 1 16 . 1 1 41 41 ILE CA C 41 62.606 62.606 63.308 -0.702 18657 5644 1 16 . 1 1 41 41 ILE CB C 41 36.606 36.606 36.745 -0.139 18657 5645 1 16 . 1 1 41 41 ILE H H 41 6.799 6.799 7.556 -0.757 18657 5646 1 16 . 1 1 42 42 SER N N 42 121.395 121.395 118.470 2.925 18657 5647 1 16 . 1 1 42 42 SER HA H 42 3.991 3.991 4.144 -0.153 18657 5648 1 16 . 1 1 42 42 SER C C 42 173.816 173.816 173.641 0.175 18657 5649 1 16 . 1 1 42 42 SER CA C 42 62.348 62.348 60.303 2.045 18657 5650 1 16 . 1 1 42 42 SER CB C 42 62.947 62.947 63.129 -0.182 18657 5651 1 16 . 1 1 42 42 SER H H 42 9.328 9.328 8.946 0.382 18657 5652 1 16 . 1 1 43 43 MET N N 43 123.672 123.672 122.693 0.979 18657 5653 1 16 . 1 1 43 43 MET HA H 43 4.449 4.449 4.644 -0.195 18657 5654 1 16 . 1 1 43 43 MET C C 43 175.128 175.128 176.298 -1.170 18657 5655 1 16 . 1 1 43 43 MET CA C 43 57.119 57.119 55.106 2.013 18657 5656 1 16 . 1 1 43 43 MET CB C 43 32.831 32.831 33.369 -0.538 18657 5657 1 16 . 1 1 43 43 MET H H 43 8.806 8.806 8.081 0.725 18657 5658 1 16 . 1 1 44 44 GLN N N 44 118.463 118.463 123.497 -5.034 18657 5659 1 16 . 1 1 44 44 GLN HA H 44 5.256 5.256 4.614 0.642 18657 5660 1 16 . 1 1 44 44 GLN C C 44 177.035 177.035 175.635 1.400 18657 5661 1 16 . 1 1 44 44 GLN CA C 44 54.304 54.304 55.584 -1.280 18657 5662 1 16 . 1 1 44 44 GLN CB C 44 32.083 32.083 29.745 2.338 18657 5663 1 16 . 1 1 44 44 GLN H H 44 8.947 8.947 8.754 0.193 18657 5664 1 16 . 1 1 45 45 VAL N N 45 111.238 111.238 114.316 -3.078 18657 5665 1 16 . 1 1 45 45 VAL HA H 45 5.297 5.297 4.654 0.643 18657 5666 1 16 . 1 1 45 45 VAL C C 45 177.962 177.962 175.340 2.622 18657 5667 1 16 . 1 1 45 45 VAL CA C 45 59.950 59.950 59.031 0.920 18657 5668 1 16 . 1 1 45 45 VAL CB C 45 33.437 33.437 34.058 -0.621 18657 5669 1 16 . 1 1 45 45 VAL H H 45 7.564 7.564 8.116 -0.552 18657 5670 1 16 . 1 1 46 46 ASN N N 46 118.782 118.782 121.598 -2.816 18657 5671 1 16 . 1 1 46 46 ASN HA H 46 4.716 4.716 4.699 0.017 18657 5672 1 16 . 1 1 46 46 ASN C C 46 174.812 174.812 174.383 0.429 18657 5673 1 16 . 1 1 46 46 ASN CA C 46 51.680 51.680 52.616 -0.936 18657 5674 1 16 . 1 1 46 46 ASN CB C 46 39.469 39.469 38.435 1.034 18657 5675 1 16 . 1 1 46 46 ASN H H 46 8.556 8.556 8.444 0.112 18657 5676 1 16 . 1 1 47 47 GLN N N 47 112.810 112.810 116.675 -3.865 18657 5677 1 16 . 1 1 47 47 GLN HA H 47 4.549 4.549 4.261 0.288 18657 5678 1 16 . 1 1 47 47 GLN C C 47 172.365 172.365 173.824 -1.459 18657 5679 1 16 . 1 1 47 47 GLN CA C 47 53.013 53.013 54.769 -1.756 18657 5680 1 16 . 1 1 47 47 GLN CB C 47 32.841 32.841 32.133 0.708 18657 5681 1 16 . 1 1 47 47 GLN H H 47 7.663 7.663 7.689 -0.026 18657 5682 1 16 . 1 1 48 48 VAL N N 48 118.841 118.841 124.432 -5.591 18657 5683 1 16 . 1 1 48 48 VAL HA H 48 4.184 4.184 3.976 0.208 18657 5684 1 16 . 1 1 48 48 VAL C C 48 176.865 176.865 175.559 1.306 18657 5685 1 16 . 1 1 48 48 VAL CA C 48 62.932 62.932 63.969 -1.037 18657 5686 1 16 . 1 1 48 48 VAL CB C 48 31.788 31.788 31.593 0.195 18657 5687 1 16 . 1 1 48 48 VAL H H 48 8.407 8.407 8.473 -0.066 18657 5688 1 16 . 1 1 49 49 VAL N N 49 130.600 130.600 128.887 1.713 18657 5689 1 16 . 1 1 49 49 VAL HA H 49 4.547 4.547 4.567 -0.020 18657 5690 1 16 . 1 1 49 49 VAL CA C 49 59.419 59.419 59.090 0.329 18657 5691 1 16 . 1 1 49 49 VAL CB C 49 33.236 33.236 33.080 0.156 18657 5692 1 16 . 1 1 49 49 VAL H H 49 9.165 9.165 9.129 0.036 18657 5693 1 16 . 1 1 50 50 PRO HA H 50 4.227 4.227 4.488 -0.261 18657 5694 1 16 . 1 1 50 50 PRO C C 50 176.512 176.512 176.173 0.339 18657 5695 1 16 . 1 1 50 50 PRO CA C 50 62.220 62.220 61.579 0.641 18657 5696 1 16 . 1 1 50 50 PRO CB C 50 32.282 32.282 32.518 -0.236 18657 5697 1 16 . 1 1 51 51 MET N N 51 123.146 123.146 118.858 4.288 18657 5698 1 16 . 1 1 51 51 MET HA H 51 3.322 3.322 4.102 -0.780 18657 5699 1 16 . 1 1 51 51 MET C C 51 176.953 176.953 177.897 -0.944 18657 5700 1 16 . 1 1 51 51 MET CA C 51 58.534 58.534 57.651 0.883 18657 5701 1 16 . 1 1 51 51 MET CB C 51 32.593 32.593 33.127 -0.534 18657 5702 1 16 . 1 1 51 51 MET H H 51 8.598 8.598 8.283 0.315 18657 5703 1 16 . 1 1 52 52 GLY N N 52 114.707 114.707 113.531 1.176 18657 5704 1 16 . 1 1 52 52 GLY C C 52 173.693 173.693 174.294 -0.601 18657 5705 1 16 . 1 1 52 52 GLY CA C 52 45.046 45.046 45.683 -0.637 18657 5706 1 16 . 1 1 52 52 GLY H H 52 8.852 8.852 9.010 -0.158 18657 5707 1 16 . 1 1 53 53 THR N N 53 119.372 119.372 120.171 -0.799 18657 5708 1 16 . 1 1 53 53 THR HA H 53 4.143 4.143 4.327 -0.184 18657 5709 1 16 . 1 1 53 53 THR C C 53 173.482 173.482 174.552 -1.070 18657 5710 1 16 . 1 1 53 53 THR CA C 53 63.363 63.363 61.983 1.380 18657 5711 1 16 . 1 1 53 53 THR CB C 53 69.448 69.448 69.123 0.325 18657 5712 1 16 . 1 1 53 53 THR H H 53 7.706 7.706 7.667 0.039 18657 5713 1 16 . 1 1 54 54 THR N N 54 125.168 125.168 123.561 1.607 18657 5714 1 16 . 1 1 54 54 THR HA H 54 4.137 4.137 4.010 0.127 18657 5715 1 16 . 1 1 54 54 THR C C 54 173.018 173.018 173.937 -0.919 18657 5716 1 16 . 1 1 54 54 THR CA C 54 63.314 63.314 64.282 -0.968 18657 5717 1 16 . 1 1 54 54 THR CB C 54 68.846 68.846 69.366 -0.520 18657 5718 1 16 . 1 1 54 54 THR H H 54 8.914 8.914 8.664 0.250 18657 5719 1 16 . 1 1 55 55 LEU N N 55 131.166 131.166 126.864 4.302 18657 5720 1 16 . 1 1 55 55 LEU HA H 55 4.298 4.298 4.481 -0.183 18657 5721 1 16 . 1 1 55 55 LEU C C 55 174.234 174.234 175.592 -1.358 18657 5722 1 16 . 1 1 55 55 LEU CA C 55 55.132 55.132 53.633 1.498 18657 5723 1 16 . 1 1 55 55 LEU CB C 55 42.317 42.317 42.375 -0.058 18657 5724 1 16 . 1 1 55 55 LEU H H 55 9.006 9.006 8.886 0.120 18657 5725 1 16 . 1 1 56 56 MET N N 56 126.627 126.627 123.872 2.755 18657 5726 1 16 . 1 1 56 56 MET HA H 56 5.043 5.043 4.865 0.178 18657 5727 1 16 . 1 1 56 56 MET CA C 56 51.058 51.058 52.476 -1.418 18657 5728 1 16 . 1 1 56 56 MET CB C 56 31.593 31.593 33.169 -1.575 18657 5729 1 16 . 1 1 56 56 MET H H 56 8.028 8.028 8.659 -0.631 18657 5730 1 16 . 1 1 57 57 PRO HA H 57 3.695 3.695 3.510 0.185 18657 5731 1 16 . 1 1 57 57 PRO C C 57 176.780 176.780 176.501 0.279 18657 5732 1 16 . 1 1 57 57 PRO CA C 57 66.142 66.142 64.340 1.802 18657 5733 1 16 . 1 1 57 57 PRO CB C 57 32.795 32.795 31.558 1.237 18657 5734 1 16 . 1 1 58 58 ASP N N 58 110.360 110.360 116.735 -6.375 18657 5735 1 16 . 1 1 58 58 ASP HA H 58 4.436 4.436 4.685 -0.249 18657 5736 1 16 . 1 1 58 58 ASP C C 58 176.945 176.945 175.723 1.222 18657 5737 1 16 . 1 1 58 58 ASP CA C 58 54.660 54.660 54.703 -0.042 18657 5738 1 16 . 1 1 58 58 ASP CB C 58 39.716 39.716 40.399 -0.683 18657 5739 1 16 . 1 1 58 58 ASP H H 58 8.036 8.036 8.579 -0.543 18657 5740 1 16 . 1 1 59 59 MET N N 59 116.951 116.951 117.208 -0.257 18657 5741 1 16 . 1 1 59 59 MET HA H 59 4.642 4.642 4.866 -0.224 18657 5742 1 16 . 1 1 59 59 MET C C 59 174.817 174.817 174.769 0.048 18657 5743 1 16 . 1 1 59 59 MET CA C 59 56.757 56.757 55.363 1.394 18657 5744 1 16 . 1 1 59 59 MET CB C 59 33.587 33.587 34.837 -1.250 18657 5745 1 16 . 1 1 59 59 MET H H 59 8.066 8.066 7.347 0.719 18657 5746 1 16 . 1 1 60 60 VAL N N 60 117.470 117.470 120.814 -3.344 18657 5747 1 16 . 1 1 60 60 VAL HA H 60 4.351 4.351 4.440 -0.089 18657 5748 1 16 . 1 1 60 60 VAL C C 60 176.067 176.067 175.400 0.667 18657 5749 1 16 . 1 1 60 60 VAL CA C 60 61.229 61.229 60.616 0.613 18657 5750 1 16 . 1 1 60 60 VAL CB C 60 33.146 33.146 34.437 -1.291 18657 5751 1 16 . 1 1 60 60 VAL H H 60 7.109 7.109 7.243 -0.134 18657 5752 1 16 . 1 1 61 61 LYS N N 61 128.839 128.839 128.094 0.745 18657 5753 1 16 . 1 1 61 61 LYS HA H 61 4.122 4.122 4.429 -0.307 18657 5754 1 16 . 1 1 61 61 LYS C C 61 177.652 177.652 177.051 0.601 18657 5755 1 16 . 1 1 61 61 LYS CA C 61 58.146 58.146 56.316 1.830 18657 5756 1 16 . 1 1 61 61 LYS CB C 61 32.336 32.336 32.672 -0.336 18657 5757 1 16 . 1 1 61 61 LYS H H 61 9.069 9.069 8.131 0.938 18657 5758 1 16 . 1 1 62 62 GLY N N 62 113.363 113.363 109.317 4.046 18657 5759 1 16 . 1 1 62 62 GLY C C 62 174.621 174.621 174.484 0.137 18657 5760 1 16 . 1 1 62 62 GLY CA C 62 45.506 45.506 46.251 -0.745 18657 5761 1 16 . 1 1 62 62 GLY H H 62 9.094 9.094 8.673 0.421 18657 5762 1 16 . 1 1 63 63 TYR N N 63 120.959 120.959 119.549 1.410 18657 5763 1 16 . 1 1 63 63 TYR HA H 63 3.971 3.971 4.477 -0.506 18657 5764 1 16 . 1 1 63 63 TYR C C 63 174.228 174.228 174.741 -0.513 18657 5765 1 16 . 1 1 63 63 TYR CA C 63 60.374 60.374 58.271 2.103 18657 5766 1 16 . 1 1 63 63 TYR CB C 63 39.040 39.040 39.907 -0.867 18657 5767 1 16 . 1 1 63 63 TYR H H 63 7.564 7.564 7.382 0.182 18657 5768 1 16 . 1 1 64 64 ALA N N 64 129.533 129.533 122.840 6.693 18657 5769 1 16 . 1 1 64 64 ALA HA H 64 4.425 4.425 4.524 -0.099 18657 5770 1 16 . 1 1 64 64 ALA CA C 64 49.480 49.480 50.862 -1.382 18657 5771 1 16 . 1 1 64 64 ALA CB C 64 19.620 19.620 19.060 0.560 18657 5772 1 16 . 1 1 64 64 ALA H H 64 7.546 7.546 6.695 0.851 18657 5773 1 16 . 1 1 65 65 PRO HA H 65 4.250 4.250 4.491 -0.241 18657 5774 1 16 . 1 1 65 65 PRO C C 65 175.380 175.380 176.635 -1.255 18657 5775 1 16 . 1 1 65 65 PRO CA C 65 62.712 62.712 62.380 0.332 18657 5776 1 16 . 1 1 65 65 PRO CB C 65 32.210 32.210 32.455 -0.245 18657 5777 1 17 . 1 1 1 1 ASN HA H 1 4.703 4.703 4.870 -0.167 18657 5778 1 17 . 1 1 1 1 ASN C C 1 174.258 174.258 174.145 0.113 18657 5779 1 17 . 1 1 1 1 ASN CA C 1 53.192 53.192 53.275 -0.083 18657 5780 1 17 . 1 1 1 1 ASN CB C 1 38.954 38.954 39.424 -0.470 18657 5781 1 17 . 1 1 2 2 GLN N N 2 120.041 120.041 123.537 -3.496 18657 5782 1 17 . 1 1 2 2 GLN HA H 2 4.323 4.323 4.149 0.174 18657 5783 1 17 . 1 1 2 2 GLN C C 2 176.004 176.004 175.433 0.571 18657 5784 1 17 . 1 1 2 2 GLN CA C 2 55.835 55.835 56.141 -0.306 18657 5785 1 17 . 1 1 2 2 GLN CB C 2 29.640 29.640 29.142 0.498 18657 5786 1 17 . 1 1 2 2 GLN H H 2 8.597 8.597 8.533 0.064 18657 5787 1 17 . 1 1 3 3 GLU N N 3 124.166 124.166 126.942 -2.776 18657 5788 1 17 . 1 1 3 3 GLU HA H 3 4.294 4.294 4.493 -0.199 18657 5789 1 17 . 1 1 3 3 GLU C C 3 177.305 177.305 175.315 1.990 18657 5790 1 17 . 1 1 3 3 GLU CA C 3 56.597 56.597 55.462 1.135 18657 5791 1 17 . 1 1 3 3 GLU CB C 3 32.196 32.196 31.254 0.942 18657 5792 1 17 . 1 1 3 3 GLU H H 3 9.025 9.025 8.667 0.358 18657 5793 1 17 . 1 1 4 4 SER N N 4 118.222 118.222 120.047 -1.825 18657 5794 1 17 . 1 1 4 4 SER HA H 4 5.412 5.412 5.044 0.368 18657 5795 1 17 . 1 1 4 4 SER C C 4 171.713 171.713 174.145 -2.432 18657 5796 1 17 . 1 1 4 4 SER CA C 4 57.271 57.271 57.858 -0.587 18657 5797 1 17 . 1 1 4 4 SER CB C 4 66.319 66.319 65.099 1.220 18657 5798 1 17 . 1 1 4 4 SER H H 4 8.925 8.925 8.192 0.733 18657 5799 1 17 . 1 1 5 5 VAL N N 5 122.304 122.304 123.958 -1.654 18657 5800 1 17 . 1 1 5 5 VAL HA H 5 4.156 4.156 4.377 -0.221 18657 5801 1 17 . 1 1 5 5 VAL C C 5 174.325 174.325 175.591 -1.266 18657 5802 1 17 . 1 1 5 5 VAL CA C 5 63.408 63.408 64.035 -0.627 18657 5803 1 17 . 1 1 5 5 VAL CB C 5 31.916 31.916 32.120 -0.204 18657 5804 1 17 . 1 1 5 5 VAL H H 5 8.506 8.506 8.775 -0.269 18657 5805 1 17 . 1 1 6 6 VAL N N 6 126.068 126.068 126.183 -0.115 18657 5806 1 17 . 1 1 6 6 VAL HA H 6 4.512 4.512 4.290 0.223 18657 5807 1 17 . 1 1 6 6 VAL C C 6 174.958 174.958 174.798 0.160 18657 5808 1 17 . 1 1 6 6 VAL CA C 6 59.365 59.365 60.425 -1.060 18657 5809 1 17 . 1 1 6 6 VAL CB C 6 36.189 36.189 35.187 1.002 18657 5810 1 17 . 1 1 6 6 VAL H H 6 8.637 8.637 8.380 0.257 18657 5811 1 17 . 1 1 7 7 ALA N N 7 126.887 126.887 129.388 -2.501 18657 5812 1 17 . 1 1 7 7 ALA HA H 7 4.441 4.441 4.322 0.119 18657 5813 1 17 . 1 1 7 7 ALA C C 7 178.642 178.642 177.909 0.733 18657 5814 1 17 . 1 1 7 7 ALA CA C 7 53.079 53.079 52.483 0.596 18657 5815 1 17 . 1 1 7 7 ALA CB C 7 19.055 19.055 18.678 0.377 18657 5816 1 17 . 1 1 7 7 ALA H H 7 8.318 8.318 8.169 0.149 18657 5817 1 17 . 1 1 8 8 ALA N N 8 129.962 129.962 127.729 2.233 18657 5818 1 17 . 1 1 8 8 ALA HA H 8 4.162 4.162 4.117 0.045 18657 5819 1 17 . 1 1 8 8 ALA C C 8 174.975 174.975 177.066 -2.091 18657 5820 1 17 . 1 1 8 8 ALA CA C 8 52.229 52.229 53.937 -1.708 18657 5821 1 17 . 1 1 8 8 ALA CB C 8 19.350 19.350 19.254 0.096 18657 5822 1 17 . 1 1 8 8 ALA H H 8 9.248 9.248 8.218 1.030 18657 5823 1 17 . 1 1 9 9 GLN N N 9 111.285 111.285 112.583 -1.298 18657 5824 1 17 . 1 1 9 9 GLN HA H 9 4.510 4.510 4.404 0.106 18657 5825 1 17 . 1 1 9 9 GLN C C 9 172.373 172.373 174.306 -1.933 18657 5826 1 17 . 1 1 9 9 GLN CA C 9 52.613 52.613 53.676 -1.063 18657 5827 1 17 . 1 1 9 9 GLN CB C 9 32.673 32.673 30.701 1.972 18657 5828 1 17 . 1 1 9 9 GLN H H 9 7.709 7.709 7.461 0.248 18657 5829 1 17 . 1 1 10 10 LEU N N 10 120.553 120.553 122.216 -1.663 18657 5830 1 17 . 1 1 10 10 LEU HA H 10 4.541 4.541 4.252 0.289 18657 5831 1 17 . 1 1 10 10 LEU C C 10 177.120 177.120 175.536 1.584 18657 5832 1 17 . 1 1 10 10 LEU CA C 10 56.329 56.329 56.225 0.104 18657 5833 1 17 . 1 1 10 10 LEU CB C 10 41.176 41.176 42.188 -1.012 18657 5834 1 17 . 1 1 10 10 LEU H H 10 8.501 8.501 8.509 -0.008 18657 5835 1 17 . 1 1 11 11 ILE N N 11 132.775 132.775 128.229 4.546 18657 5836 1 17 . 1 1 11 11 ILE HA H 11 4.604 4.604 4.611 -0.007 18657 5837 1 17 . 1 1 11 11 ILE CA C 11 59.247 59.247 57.718 1.529 18657 5838 1 17 . 1 1 11 11 ILE CB C 11 39.630 39.630 40.850 -1.220 18657 5839 1 17 . 1 1 11 11 ILE H H 11 9.329 9.329 8.916 0.413 18657 5840 1 17 . 1 1 12 12 PRO HA H 12 4.392 4.392 4.454 -0.062 18657 5841 1 17 . 1 1 12 12 PRO C C 12 176.644 176.644 176.256 0.388 18657 5842 1 17 . 1 1 12 12 PRO CA C 12 61.904 61.904 61.702 0.202 18657 5843 1 17 . 1 1 12 12 PRO CB C 12 32.576 32.576 32.222 0.354 18657 5844 1 17 . 1 1 13 13 ILE N N 13 121.774 121.774 119.809 1.965 18657 5845 1 17 . 1 1 13 13 ILE HA H 13 3.380 3.380 3.697 -0.317 18657 5846 1 17 . 1 1 13 13 ILE C C 13 173.621 173.621 176.233 -2.612 18657 5847 1 17 . 1 1 13 13 ILE CA C 13 63.705 63.705 62.427 1.278 18657 5848 1 17 . 1 1 13 13 ILE CB C 13 38.836 38.836 38.697 0.139 18657 5849 1 17 . 1 1 13 13 ILE H H 13 7.938 7.938 8.169 -0.231 18657 5850 1 17 . 1 1 14 14 ASN N N 14 117.013 117.013 121.126 -4.113 18657 5851 1 17 . 1 1 14 14 ASN HA H 14 4.565 4.565 4.401 0.164 18657 5852 1 17 . 1 1 14 14 ASN C C 14 173.943 173.943 173.820 0.123 18657 5853 1 17 . 1 1 14 14 ASN CA C 14 55.344 55.344 54.909 0.435 18657 5854 1 17 . 1 1 14 14 ASN CB C 14 37.014 37.014 36.233 0.781 18657 5855 1 17 . 1 1 14 14 ASN H H 14 7.240 7.240 9.008 -1.768 18657 5856 1 17 . 1 1 15 15 THR N N 15 116.580 116.580 115.918 0.662 18657 5857 1 17 . 1 1 15 15 THR HA H 15 3.966 3.966 4.415 -0.449 18657 5858 1 17 . 1 1 15 15 THR C C 15 172.956 172.956 173.673 -0.717 18657 5859 1 17 . 1 1 15 15 THR CA C 15 64.332 64.332 61.570 2.762 18657 5860 1 17 . 1 1 15 15 THR CB C 15 69.532 69.532 69.986 -0.454 18657 5861 1 17 . 1 1 15 15 THR H H 15 7.313 7.313 7.440 -0.127 18657 5862 1 17 . 1 1 16 16 ALA N N 16 128.035 128.035 131.891 -3.856 18657 5863 1 17 . 1 1 16 16 ALA HA H 16 4.246 4.246 4.156 0.090 18657 5864 1 17 . 1 1 16 16 ALA C C 16 176.643 176.643 176.738 -0.095 18657 5865 1 17 . 1 1 16 16 ALA CA C 16 50.750 50.750 52.399 -1.649 18657 5866 1 17 . 1 1 16 16 ALA CB C 16 18.653 18.653 18.558 0.095 18657 5867 1 17 . 1 1 16 16 ALA H H 16 8.545 8.545 8.685 -0.140 18657 5868 1 17 . 1 1 17 17 LEU N N 17 125.094 125.094 125.448 -0.354 18657 5869 1 17 . 1 1 17 17 LEU HA H 17 4.505 4.505 4.250 0.255 18657 5870 1 17 . 1 1 17 17 LEU C C 17 178.848 178.848 176.750 2.098 18657 5871 1 17 . 1 1 17 17 LEU CA C 17 56.127 56.127 55.845 0.282 18657 5872 1 17 . 1 1 17 17 LEU CB C 17 42.573 42.573 42.664 -0.091 18657 5873 1 17 . 1 1 17 17 LEU H H 17 9.114 9.114 8.194 0.920 18657 5874 1 17 . 1 1 18 18 THR N N 18 113.568 113.568 113.184 0.384 18657 5875 1 17 . 1 1 18 18 THR HA H 18 4.623 4.623 4.436 0.187 18657 5876 1 17 . 1 1 18 18 THR C C 18 175.028 175.028 174.568 0.460 18657 5877 1 17 . 1 1 18 18 THR CA C 18 58.935 58.935 60.612 -1.677 18657 5878 1 17 . 1 1 18 18 THR CB C 18 71.185 71.185 71.145 0.040 18657 5879 1 17 . 1 1 18 18 THR H H 18 7.980 7.980 7.968 0.012 18657 5880 1 17 . 1 1 19 19 LEU N N 19 121.118 121.118 121.813 -0.695 18657 5881 1 17 . 1 1 19 19 LEU HA H 19 3.817 3.817 4.302 -0.485 18657 5882 1 17 . 1 1 19 19 LEU C C 19 179.309 179.309 176.455 2.854 18657 5883 1 17 . 1 1 19 19 LEU CA C 19 58.710 58.710 56.299 2.411 18657 5884 1 17 . 1 1 19 19 LEU CB C 19 42.213 42.213 41.997 0.216 18657 5885 1 17 . 1 1 19 19 LEU H H 19 8.882 8.882 8.543 0.339 18657 5886 1 17 . 1 1 20 20 VAL N N 20 110.454 110.454 109.603 0.851 18657 5887 1 17 . 1 1 20 20 VAL HA H 20 4.021 4.021 4.129 -0.108 18657 5888 1 17 . 1 1 20 20 VAL C C 20 176.778 176.778 175.922 0.856 18657 5889 1 17 . 1 1 20 20 VAL CA C 20 63.377 63.377 62.697 0.680 18657 5890 1 17 . 1 1 20 20 VAL CB C 20 31.558 31.558 31.893 -0.335 18657 5891 1 17 . 1 1 20 20 VAL H H 20 7.528 7.528 7.599 -0.071 18657 5892 1 17 . 1 1 21 21 MET N N 21 116.848 116.848 118.183 -1.335 18657 5893 1 17 . 1 1 21 21 MET HA H 21 3.940 3.940 4.605 -0.665 18657 5894 1 17 . 1 1 21 21 MET C C 21 175.514 175.514 175.117 0.397 18657 5895 1 17 . 1 1 21 21 MET CA C 21 57.965 57.965 55.648 2.317 18657 5896 1 17 . 1 1 21 21 MET CB C 21 32.889 32.889 35.015 -2.126 18657 5897 1 17 . 1 1 21 21 MET H H 21 7.518 7.518 8.095 -0.577 18657 5898 1 17 . 1 1 22 22 MET N N 22 116.986 116.986 117.655 -0.669 18657 5899 1 17 . 1 1 22 22 MET HA H 22 4.893 4.893 4.894 -0.001 18657 5900 1 17 . 1 1 22 22 MET C C 22 173.981 173.981 174.697 -0.716 18657 5901 1 17 . 1 1 22 22 MET CA C 22 55.373 55.373 54.673 0.700 18657 5902 1 17 . 1 1 22 22 MET CB C 22 37.383 37.383 37.229 0.154 18657 5903 1 17 . 1 1 22 22 MET H H 22 7.709 7.709 7.410 0.299 18657 5904 1 17 . 1 1 23 23 THR N N 23 118.163 118.163 113.321 4.842 18657 5905 1 17 . 1 1 23 23 THR HA H 23 4.788 4.788 4.608 0.180 18657 5906 1 17 . 1 1 23 23 THR C C 23 172.307 172.307 172.519 -0.212 18657 5907 1 17 . 1 1 23 23 THR CA C 23 58.678 58.678 60.508 -1.830 18657 5908 1 17 . 1 1 23 23 THR CB C 23 69.836 69.836 70.165 -0.329 18657 5909 1 17 . 1 1 23 23 THR H H 23 9.041 9.041 8.272 0.769 18657 5910 1 17 . 1 1 24 24 THR N N 24 111.374 111.374 112.866 -1.492 18657 5911 1 17 . 1 1 24 24 THR HA H 24 5.691 5.691 5.046 0.645 18657 5912 1 17 . 1 1 24 24 THR C C 24 174.035 174.035 173.575 0.460 18657 5913 1 17 . 1 1 24 24 THR CA C 24 58.843 58.843 60.230 -1.387 18657 5914 1 17 . 1 1 24 24 THR CB C 24 71.456 71.456 71.231 0.225 18657 5915 1 17 . 1 1 24 24 THR H H 24 8.139 8.139 8.273 -0.134 18657 5916 1 17 . 1 1 25 25 ARG N N 25 119.402 119.402 123.167 -3.765 18657 5917 1 17 . 1 1 25 25 ARG HA H 25 4.575 4.575 4.468 0.107 18657 5918 1 17 . 1 1 25 25 ARG C C 25 174.979 174.979 173.856 1.123 18657 5919 1 17 . 1 1 25 25 ARG CA C 25 55.085 55.085 55.767 -0.682 18657 5920 1 17 . 1 1 25 25 ARG CB C 25 35.806 35.806 33.576 2.230 18657 5921 1 17 . 1 1 25 25 ARG H H 25 8.626 8.626 8.297 0.329 18657 5922 1 17 . 1 1 26 26 VAL N N 26 124.668 124.668 125.694 -1.026 18657 5923 1 17 . 1 1 26 26 VAL HA H 26 4.132 4.132 4.020 0.112 18657 5924 1 17 . 1 1 26 26 VAL C C 26 174.893 174.893 176.171 -1.278 18657 5925 1 17 . 1 1 26 26 VAL CA C 26 64.085 64.085 63.362 0.723 18657 5926 1 17 . 1 1 26 26 VAL CB C 26 30.450 30.450 30.562 -0.112 18657 5927 1 17 . 1 1 26 26 VAL H H 26 9.050 9.050 8.515 0.535 18657 5928 1 17 . 1 1 27 27 VAL N N 27 123.136 123.136 121.846 1.290 18657 5929 1 17 . 1 1 27 27 VAL HA H 27 4.649 4.649 4.552 0.097 18657 5930 1 17 . 1 1 27 27 VAL C C 27 174.747 174.747 174.163 0.584 18657 5931 1 17 . 1 1 27 27 VAL CA C 27 59.232 59.232 59.624 -0.392 18657 5932 1 17 . 1 1 27 27 VAL CB C 27 36.205 36.205 34.330 1.875 18657 5933 1 17 . 1 1 27 27 VAL H H 27 8.266 8.266 7.910 0.356 18657 5934 1 17 . 1 1 28 28 SER N N 28 116.564 116.564 115.979 0.585 18657 5935 1 17 . 1 1 28 28 SER HA H 28 4.535 4.535 4.981 -0.446 18657 5936 1 17 . 1 1 28 28 SER CA C 28 54.880 54.880 55.403 -0.523 18657 5937 1 17 . 1 1 28 28 SER CB C 28 64.922 64.922 64.701 0.220 18657 5938 1 17 . 1 1 28 28 SER H H 28 8.302 8.302 8.396 -0.094 18657 5939 1 17 . 1 1 29 29 PRO HA H 29 4.774 4.774 4.689 0.085 18657 5940 1 17 . 1 1 29 29 PRO C C 29 176.324 176.324 176.167 0.157 18657 5941 1 17 . 1 1 29 29 PRO CA C 29 62.543 62.543 62.570 -0.027 18657 5942 1 17 . 1 1 29 29 PRO CB C 29 34.561 34.561 32.368 2.193 18657 5943 1 17 . 1 1 30 30 THR N N 30 113.418 113.418 111.829 1.589 18657 5944 1 17 . 1 1 30 30 THR HA H 30 3.830 3.830 4.317 -0.487 18657 5945 1 17 . 1 1 30 30 THR C C 30 174.556 174.556 174.163 0.393 18657 5946 1 17 . 1 1 30 30 THR CA C 30 62.846 62.846 61.905 0.941 18657 5947 1 17 . 1 1 30 30 THR CB C 30 69.384 69.384 69.730 -0.346 18657 5948 1 17 . 1 1 30 30 THR H H 30 8.492 8.492 8.185 0.307 18657 5949 1 17 . 1 1 31 31 GLY N N 31 109.224 109.224 109.501 -0.277 18657 5950 1 17 . 1 1 31 31 GLY C C 31 174.722 174.722 173.433 1.289 18657 5951 1 17 . 1 1 31 31 GLY CA C 31 44.844 44.844 43.498 1.345 18657 5952 1 17 . 1 1 31 31 GLY H H 31 8.054 8.054 8.051 0.003 18657 5953 1 17 . 1 1 32 32 ILE N N 32 128.549 128.549 122.656 5.893 18657 5954 1 17 . 1 1 32 32 ILE HA H 32 3.959 3.959 4.033 -0.074 18657 5955 1 17 . 1 1 32 32 ILE CA C 32 61.251 61.251 62.023 -0.772 18657 5956 1 17 . 1 1 32 32 ILE CB C 32 39.665 39.665 37.505 2.160 18657 5957 1 17 . 1 1 32 32 ILE H H 32 8.820 8.820 8.245 0.575 18657 5958 1 17 . 1 1 33 33 PRO HA H 33 4.777 4.777 4.586 0.191 18657 5959 1 17 . 1 1 33 33 PRO C C 33 177.878 177.878 177.273 0.605 18657 5960 1 17 . 1 1 33 33 PRO CA C 33 63.110 63.110 62.433 0.677 18657 5961 1 17 . 1 1 33 33 PRO CB C 33 32.793 32.793 32.197 0.596 18657 5962 1 17 . 1 1 34 34 ALA N N 34 123.151 123.151 125.183 -2.032 18657 5963 1 17 . 1 1 34 34 ALA HA H 34 3.722 3.722 4.062 -0.340 18657 5964 1 17 . 1 1 34 34 ALA C C 34 179.547 179.547 179.485 0.062 18657 5965 1 17 . 1 1 34 34 ALA CA C 34 54.835 54.835 54.696 0.139 18657 5966 1 17 . 1 1 34 34 ALA CB C 34 19.974 19.974 18.533 1.441 18657 5967 1 17 . 1 1 34 34 ALA H H 34 7.973 7.973 8.480 -0.507 18657 5968 1 17 . 1 1 35 35 GLU N N 35 116.421 116.421 117.297 -0.876 18657 5969 1 17 . 1 1 35 35 GLU HA H 35 4.022 4.022 4.151 -0.129 18657 5970 1 17 . 1 1 35 35 GLU C C 35 176.479 176.479 176.425 0.054 18657 5971 1 17 . 1 1 35 35 GLU CA C 35 58.966 58.966 58.138 0.828 18657 5972 1 17 . 1 1 35 35 GLU CB C 35 28.642 28.642 29.128 -0.486 18657 5973 1 17 . 1 1 35 35 GLU H H 35 9.247 9.247 8.503 0.744 18657 5974 1 17 . 1 1 36 36 ASP N N 36 118.097 118.097 118.998 -0.901 18657 5975 1 17 . 1 1 36 36 ASP HA H 36 4.955 4.955 4.842 0.113 18657 5976 1 17 . 1 1 36 36 ASP C C 36 176.823 176.823 176.743 0.080 18657 5977 1 17 . 1 1 36 36 ASP CA C 36 54.568 54.568 54.243 0.325 18657 5978 1 17 . 1 1 36 36 ASP CB C 36 40.971 40.971 40.630 0.341 18657 5979 1 17 . 1 1 36 36 ASP H H 36 8.146 8.146 8.324 -0.178 18657 5980 1 17 . 1 1 37 37 ILE N N 37 121.429 121.429 122.353 -0.924 18657 5981 1 17 . 1 1 37 37 ILE HA H 37 3.636 3.636 3.909 -0.273 18657 5982 1 17 . 1 1 37 37 ILE CA C 37 68.859 68.859 67.453 1.406 18657 5983 1 17 . 1 1 37 37 ILE CB C 37 35.859 35.859 36.287 -0.428 18657 5984 1 17 . 1 1 37 37 ILE H H 37 7.520 7.520 7.537 -0.017 18657 5985 1 17 . 1 1 38 38 PRO HA H 38 4.183 4.183 4.401 -0.218 18657 5986 1 17 . 1 1 38 38 PRO C C 38 179.052 179.052 177.228 1.824 18657 5987 1 17 . 1 1 38 38 PRO CA C 38 65.906 65.906 64.888 1.018 18657 5988 1 17 . 1 1 38 38 PRO CB C 38 31.030 31.030 31.155 -0.125 18657 5989 1 17 . 1 1 39 39 ARG N N 39 115.064 115.064 116.613 -1.549 18657 5990 1 17 . 1 1 39 39 ARG HA H 39 4.237 4.237 4.248 -0.011 18657 5991 1 17 . 1 1 39 39 ARG C C 39 176.002 176.002 177.899 -1.897 18657 5992 1 17 . 1 1 39 39 ARG CA C 39 57.362 57.362 58.469 -1.107 18657 5993 1 17 . 1 1 39 39 ARG CB C 39 30.510 30.510 30.655 -0.145 18657 5994 1 17 . 1 1 39 39 ARG H H 39 7.367 7.367 7.908 -0.541 18657 5995 1 17 . 1 1 40 40 LEU N N 40 118.158 118.158 117.959 0.199 18657 5996 1 17 . 1 1 40 40 LEU HA H 40 4.080 4.080 4.396 -0.316 18657 5997 1 17 . 1 1 40 40 LEU C C 40 177.804 177.804 177.097 0.707 18657 5998 1 17 . 1 1 40 40 LEU CA C 40 55.770 55.770 55.424 0.346 18657 5999 1 17 . 1 1 40 40 LEU CB C 40 42.782 42.782 42.181 0.601 18657 6000 1 17 . 1 1 40 40 LEU H H 40 7.782 7.782 8.172 -0.390 18657 6001 1 17 . 1 1 41 41 ILE N N 41 115.608 115.608 119.189 -3.581 18657 6002 1 17 . 1 1 41 41 ILE HA H 41 3.345 3.345 3.780 -0.435 18657 6003 1 17 . 1 1 41 41 ILE C C 41 178.078 178.078 176.442 1.636 18657 6004 1 17 . 1 1 41 41 ILE CA C 41 62.606 62.606 63.399 -0.793 18657 6005 1 17 . 1 1 41 41 ILE CB C 41 36.606 36.606 36.444 0.162 18657 6006 1 17 . 1 1 41 41 ILE H H 41 6.799 6.799 7.502 -0.703 18657 6007 1 17 . 1 1 42 42 SER N N 42 121.395 121.395 119.239 2.156 18657 6008 1 17 . 1 1 42 42 SER HA H 42 3.991 3.991 4.128 -0.137 18657 6009 1 17 . 1 1 42 42 SER C C 42 173.816 173.816 173.624 0.192 18657 6010 1 17 . 1 1 42 42 SER CA C 42 62.348 62.348 60.476 1.872 18657 6011 1 17 . 1 1 42 42 SER CB C 42 62.947 62.947 62.867 0.080 18657 6012 1 17 . 1 1 42 42 SER H H 42 9.328 9.328 9.075 0.253 18657 6013 1 17 . 1 1 43 43 MET N N 43 123.672 123.672 123.613 0.059 18657 6014 1 17 . 1 1 43 43 MET HA H 43 4.449 4.449 4.519 -0.070 18657 6015 1 17 . 1 1 43 43 MET C C 43 175.128 175.128 176.300 -1.172 18657 6016 1 17 . 1 1 43 43 MET CA C 43 57.119 57.119 55.794 1.325 18657 6017 1 17 . 1 1 43 43 MET CB C 43 32.831 32.831 32.855 -0.024 18657 6018 1 17 . 1 1 43 43 MET H H 43 8.806 8.806 8.110 0.696 18657 6019 1 17 . 1 1 44 44 GLN N N 44 118.463 118.463 122.655 -4.192 18657 6020 1 17 . 1 1 44 44 GLN HA H 44 5.256 5.256 4.736 0.520 18657 6021 1 17 . 1 1 44 44 GLN C C 44 177.035 177.035 175.924 1.111 18657 6022 1 17 . 1 1 44 44 GLN CA C 44 54.304 54.304 55.368 -1.064 18657 6023 1 17 . 1 1 44 44 GLN CB C 44 32.083 32.083 30.041 2.042 18657 6024 1 17 . 1 1 44 44 GLN H H 44 8.947 8.947 8.682 0.265 18657 6025 1 17 . 1 1 45 45 VAL N N 45 111.238 111.238 112.749 -1.511 18657 6026 1 17 . 1 1 45 45 VAL HA H 45 5.297 5.297 4.690 0.607 18657 6027 1 17 . 1 1 45 45 VAL C C 45 177.962 177.962 175.469 2.493 18657 6028 1 17 . 1 1 45 45 VAL CA C 45 59.950 59.950 59.260 0.690 18657 6029 1 17 . 1 1 45 45 VAL CB C 45 33.437 33.437 34.419 -0.982 18657 6030 1 17 . 1 1 45 45 VAL H H 45 7.564 7.564 7.974 -0.410 18657 6031 1 17 . 1 1 46 46 ASN N N 46 118.782 118.782 121.143 -2.361 18657 6032 1 17 . 1 1 46 46 ASN HA H 46 4.716 4.716 4.713 0.003 18657 6033 1 17 . 1 1 46 46 ASN C C 46 174.812 174.812 174.922 -0.110 18657 6034 1 17 . 1 1 46 46 ASN CA C 46 51.680 51.680 52.223 -0.543 18657 6035 1 17 . 1 1 46 46 ASN CB C 46 39.469 39.469 38.791 0.678 18657 6036 1 17 . 1 1 46 46 ASN H H 46 8.556 8.556 8.328 0.228 18657 6037 1 17 . 1 1 47 47 GLN N N 47 112.810 112.810 116.674 -3.864 18657 6038 1 17 . 1 1 47 47 GLN HA H 47 4.549 4.549 4.265 0.284 18657 6039 1 17 . 1 1 47 47 GLN C C 47 172.365 172.365 173.844 -1.479 18657 6040 1 17 . 1 1 47 47 GLN CA C 47 53.013 53.013 54.753 -1.740 18657 6041 1 17 . 1 1 47 47 GLN CB C 47 32.841 32.841 32.167 0.674 18657 6042 1 17 . 1 1 47 47 GLN H H 47 7.663 7.663 7.686 -0.023 18657 6043 1 17 . 1 1 48 48 VAL N N 48 118.841 118.841 124.471 -5.630 18657 6044 1 17 . 1 1 48 48 VAL HA H 48 4.184 4.184 3.979 0.205 18657 6045 1 17 . 1 1 48 48 VAL C C 48 176.865 176.865 175.581 1.284 18657 6046 1 17 . 1 1 48 48 VAL CA C 48 62.932 62.932 63.925 -0.993 18657 6047 1 17 . 1 1 48 48 VAL CB C 48 31.788 31.788 31.507 0.281 18657 6048 1 17 . 1 1 48 48 VAL H H 48 8.407 8.407 8.476 -0.069 18657 6049 1 17 . 1 1 49 49 VAL N N 49 130.600 130.600 129.009 1.591 18657 6050 1 17 . 1 1 49 49 VAL HA H 49 4.547 4.547 4.556 -0.009 18657 6051 1 17 . 1 1 49 49 VAL CA C 49 59.419 59.419 59.099 0.320 18657 6052 1 17 . 1 1 49 49 VAL CB C 49 33.236 33.236 33.068 0.168 18657 6053 1 17 . 1 1 49 49 VAL H H 49 9.165 9.165 9.047 0.118 18657 6054 1 17 . 1 1 50 50 PRO HA H 50 4.227 4.227 4.478 -0.251 18657 6055 1 17 . 1 1 50 50 PRO C C 50 176.512 176.512 176.157 0.355 18657 6056 1 17 . 1 1 50 50 PRO CA C 50 62.220 62.220 61.618 0.602 18657 6057 1 17 . 1 1 50 50 PRO CB C 50 32.282 32.282 32.511 -0.229 18657 6058 1 17 . 1 1 51 51 MET N N 51 123.146 123.146 119.004 4.142 18657 6059 1 17 . 1 1 51 51 MET HA H 51 3.322 3.322 4.056 -0.734 18657 6060 1 17 . 1 1 51 51 MET C C 51 176.953 176.953 177.826 -0.873 18657 6061 1 17 . 1 1 51 51 MET CA C 51 58.534 58.534 57.674 0.860 18657 6062 1 17 . 1 1 51 51 MET CB C 51 32.593 32.593 33.041 -0.448 18657 6063 1 17 . 1 1 51 51 MET H H 51 8.598 8.598 8.297 0.300 18657 6064 1 17 . 1 1 52 52 GLY N N 52 114.707 114.707 113.933 0.774 18657 6065 1 17 . 1 1 52 52 GLY C C 52 173.693 173.693 174.523 -0.830 18657 6066 1 17 . 1 1 52 52 GLY CA C 52 45.046 45.046 45.759 -0.713 18657 6067 1 17 . 1 1 52 52 GLY H H 52 8.852 8.852 9.107 -0.255 18657 6068 1 17 . 1 1 53 53 THR N N 53 119.372 119.372 120.367 -0.995 18657 6069 1 17 . 1 1 53 53 THR HA H 53 4.143 4.143 4.331 -0.188 18657 6070 1 17 . 1 1 53 53 THR C C 53 173.482 173.482 174.641 -1.159 18657 6071 1 17 . 1 1 53 53 THR CA C 53 63.363 63.363 63.099 0.264 18657 6072 1 17 . 1 1 53 53 THR CB C 53 69.448 69.448 68.892 0.556 18657 6073 1 17 . 1 1 53 53 THR H H 53 7.706 7.706 7.722 -0.016 18657 6074 1 17 . 1 1 54 54 THR N N 54 125.168 125.168 123.457 1.711 18657 6075 1 17 . 1 1 54 54 THR HA H 54 4.137 4.137 4.020 0.117 18657 6076 1 17 . 1 1 54 54 THR C C 54 173.018 173.018 173.937 -0.919 18657 6077 1 17 . 1 1 54 54 THR CA C 54 63.314 63.314 64.320 -1.006 18657 6078 1 17 . 1 1 54 54 THR CB C 54 68.846 68.846 69.384 -0.538 18657 6079 1 17 . 1 1 54 54 THR H H 54 8.914 8.914 8.662 0.252 18657 6080 1 17 . 1 1 55 55 LEU N N 55 131.166 131.166 127.345 3.821 18657 6081 1 17 . 1 1 55 55 LEU HA H 55 4.298 4.298 4.490 -0.192 18657 6082 1 17 . 1 1 55 55 LEU C C 55 174.234 174.234 175.449 -1.215 18657 6083 1 17 . 1 1 55 55 LEU CA C 55 55.132 55.132 53.492 1.641 18657 6084 1 17 . 1 1 55 55 LEU CB C 55 42.317 42.317 42.199 0.118 18657 6085 1 17 . 1 1 55 55 LEU H H 55 9.006 9.006 8.904 0.102 18657 6086 1 17 . 1 1 56 56 MET N N 56 126.627 126.627 124.475 2.152 18657 6087 1 17 . 1 1 56 56 MET HA H 56 5.043 5.043 4.869 0.174 18657 6088 1 17 . 1 1 56 56 MET CA C 56 51.058 51.058 52.383 -1.325 18657 6089 1 17 . 1 1 56 56 MET CB C 56 31.593 31.593 32.875 -1.282 18657 6090 1 17 . 1 1 56 56 MET H H 56 8.028 8.028 8.728 -0.700 18657 6091 1 17 . 1 1 57 57 PRO HA H 57 3.695 3.695 3.513 0.182 18657 6092 1 17 . 1 1 57 57 PRO C C 57 176.780 176.780 176.740 0.040 18657 6093 1 17 . 1 1 57 57 PRO CA C 57 66.142 66.142 64.114 2.029 18657 6094 1 17 . 1 1 57 57 PRO CB C 57 32.795 32.795 31.554 1.241 18657 6095 1 17 . 1 1 58 58 ASP N N 58 110.360 110.360 116.969 -6.609 18657 6096 1 17 . 1 1 58 58 ASP HA H 58 4.436 4.436 4.679 -0.243 18657 6097 1 17 . 1 1 58 58 ASP C C 58 176.945 176.945 175.703 1.242 18657 6098 1 17 . 1 1 58 58 ASP CA C 58 54.660 54.660 54.663 -0.003 18657 6099 1 17 . 1 1 58 58 ASP CB C 58 39.716 39.716 40.208 -0.492 18657 6100 1 17 . 1 1 58 58 ASP H H 58 8.036 8.036 8.604 -0.568 18657 6101 1 17 . 1 1 59 59 MET N N 59 116.951 116.951 117.153 -0.202 18657 6102 1 17 . 1 1 59 59 MET HA H 59 4.642 4.642 4.811 -0.169 18657 6103 1 17 . 1 1 59 59 MET C C 59 174.817 174.817 174.847 -0.030 18657 6104 1 17 . 1 1 59 59 MET CA C 59 56.757 56.757 55.389 1.368 18657 6105 1 17 . 1 1 59 59 MET CB C 59 33.587 33.587 34.474 -0.887 18657 6106 1 17 . 1 1 59 59 MET H H 59 8.066 8.066 7.301 0.765 18657 6107 1 17 . 1 1 60 60 VAL N N 60 117.470 117.470 120.249 -2.779 18657 6108 1 17 . 1 1 60 60 VAL HA H 60 4.351 4.351 4.420 -0.069 18657 6109 1 17 . 1 1 60 60 VAL C C 60 176.067 176.067 175.108 0.959 18657 6110 1 17 . 1 1 60 60 VAL CA C 60 61.229 61.229 60.856 0.373 18657 6111 1 17 . 1 1 60 60 VAL CB C 60 33.146 33.146 35.101 -1.955 18657 6112 1 17 . 1 1 60 60 VAL H H 60 7.109 7.109 7.232 -0.123 18657 6113 1 17 . 1 1 61 61 LYS N N 61 128.839 128.839 128.059 0.780 18657 6114 1 17 . 1 1 61 61 LYS HA H 61 4.122 4.122 4.477 -0.355 18657 6115 1 17 . 1 1 61 61 LYS C C 61 177.652 177.652 176.934 0.718 18657 6116 1 17 . 1 1 61 61 LYS CA C 61 58.146 58.146 56.162 1.984 18657 6117 1 17 . 1 1 61 61 LYS CB C 61 32.336 32.336 32.730 -0.394 18657 6118 1 17 . 1 1 61 61 LYS H H 61 9.069 9.069 8.293 0.776 18657 6119 1 17 . 1 1 62 62 GLY N N 62 113.363 113.363 110.796 2.567 18657 6120 1 17 . 1 1 62 62 GLY C C 62 174.621 174.621 174.466 0.155 18657 6121 1 17 . 1 1 62 62 GLY CA C 62 45.506 45.506 45.683 -0.177 18657 6122 1 17 . 1 1 62 62 GLY H H 62 9.094 9.094 8.756 0.338 18657 6123 1 17 . 1 1 63 63 TYR N N 63 120.959 120.959 119.883 1.076 18657 6124 1 17 . 1 1 63 63 TYR HA H 63 3.971 3.971 4.544 -0.573 18657 6125 1 17 . 1 1 63 63 TYR C C 63 174.228 174.228 174.724 -0.496 18657 6126 1 17 . 1 1 63 63 TYR CA C 63 60.374 60.374 57.965 2.409 18657 6127 1 17 . 1 1 63 63 TYR CB C 63 39.040 39.040 40.044 -1.004 18657 6128 1 17 . 1 1 63 63 TYR H H 63 7.564 7.564 7.431 0.133 18657 6129 1 17 . 1 1 64 64 ALA N N 64 129.533 129.533 122.433 7.100 18657 6130 1 17 . 1 1 64 64 ALA HA H 64 4.425 4.425 4.461 -0.036 18657 6131 1 17 . 1 1 64 64 ALA CA C 64 49.480 49.480 50.916 -1.436 18657 6132 1 17 . 1 1 64 64 ALA CB C 64 19.620 19.620 18.781 0.839 18657 6133 1 17 . 1 1 64 64 ALA H H 64 7.546 7.546 6.722 0.824 18657 6134 1 17 . 1 1 65 65 PRO HA H 65 4.250 4.250 4.497 -0.247 18657 6135 1 17 . 1 1 65 65 PRO C C 65 175.380 175.380 176.644 -1.264 18657 6136 1 17 . 1 1 65 65 PRO CA C 65 62.712 62.712 62.418 0.294 18657 6137 1 17 . 1 1 65 65 PRO CB C 65 32.210 32.210 32.378 -0.168 18657 6138 1 18 . 1 1 1 1 ASN HA H 1 4.703 4.703 4.902 -0.199 18657 6139 1 18 . 1 1 1 1 ASN C C 1 174.258 174.258 174.306 -0.048 18657 6140 1 18 . 1 1 1 1 ASN CA C 1 53.192 53.192 53.389 -0.197 18657 6141 1 18 . 1 1 1 1 ASN CB C 1 38.954 38.954 39.945 -0.991 18657 6142 1 18 . 1 1 2 2 GLN N N 2 120.041 120.041 123.675 -3.634 18657 6143 1 18 . 1 1 2 2 GLN HA H 2 4.323 4.323 4.267 0.056 18657 6144 1 18 . 1 1 2 2 GLN C C 2 176.004 176.004 175.456 0.548 18657 6145 1 18 . 1 1 2 2 GLN CA C 2 55.835 55.835 55.466 0.369 18657 6146 1 18 . 1 1 2 2 GLN CB C 2 29.640 29.640 29.011 0.629 18657 6147 1 18 . 1 1 2 2 GLN H H 2 8.597 8.597 8.539 0.058 18657 6148 1 18 . 1 1 3 3 GLU N N 3 124.166 124.166 126.856 -2.690 18657 6149 1 18 . 1 1 3 3 GLU HA H 3 4.294 4.294 4.469 -0.175 18657 6150 1 18 . 1 1 3 3 GLU C C 3 177.305 177.305 175.339 1.966 18657 6151 1 18 . 1 1 3 3 GLU CA C 3 56.597 56.597 55.717 0.880 18657 6152 1 18 . 1 1 3 3 GLU CB C 3 32.196 32.196 31.125 1.071 18657 6153 1 18 . 1 1 3 3 GLU H H 3 9.025 9.025 8.681 0.344 18657 6154 1 18 . 1 1 4 4 SER N N 4 118.222 118.222 120.323 -2.101 18657 6155 1 18 . 1 1 4 4 SER HA H 4 5.412 5.412 5.095 0.317 18657 6156 1 18 . 1 1 4 4 SER C C 4 171.713 171.713 173.893 -2.180 18657 6157 1 18 . 1 1 4 4 SER CA C 4 57.271 57.271 57.845 -0.574 18657 6158 1 18 . 1 1 4 4 SER CB C 4 66.319 66.319 65.080 1.239 18657 6159 1 18 . 1 1 4 4 SER H H 4 8.925 8.925 8.329 0.596 18657 6160 1 18 . 1 1 5 5 VAL N N 5 122.304 122.304 123.381 -1.077 18657 6161 1 18 . 1 1 5 5 VAL HA H 5 4.156 4.156 4.521 -0.365 18657 6162 1 18 . 1 1 5 5 VAL C C 5 174.325 174.325 175.731 -1.406 18657 6163 1 18 . 1 1 5 5 VAL CA C 5 63.408 63.408 63.608 -0.201 18657 6164 1 18 . 1 1 5 5 VAL CB C 5 31.916 31.916 31.513 0.403 18657 6165 1 18 . 1 1 5 5 VAL H H 5 8.506 8.506 8.788 -0.282 18657 6166 1 18 . 1 1 6 6 VAL N N 6 126.068 126.068 126.680 -0.612 18657 6167 1 18 . 1 1 6 6 VAL HA H 6 4.512 4.512 4.279 0.233 18657 6168 1 18 . 1 1 6 6 VAL C C 6 174.958 174.958 174.680 0.278 18657 6169 1 18 . 1 1 6 6 VAL CA C 6 59.365 59.365 60.281 -0.916 18657 6170 1 18 . 1 1 6 6 VAL CB C 6 36.189 36.189 34.341 1.848 18657 6171 1 18 . 1 1 6 6 VAL H H 6 8.637 8.637 8.742 -0.105 18657 6172 1 18 . 1 1 7 7 ALA N N 7 126.887 126.887 129.775 -2.888 18657 6173 1 18 . 1 1 7 7 ALA HA H 7 4.441 4.441 4.329 0.112 18657 6174 1 18 . 1 1 7 7 ALA C C 7 178.642 178.642 177.934 0.708 18657 6175 1 18 . 1 1 7 7 ALA CA C 7 53.079 53.079 52.397 0.682 18657 6176 1 18 . 1 1 7 7 ALA CB C 7 19.055 19.055 18.696 0.359 18657 6177 1 18 . 1 1 7 7 ALA H H 7 8.318 8.318 8.035 0.283 18657 6178 1 18 . 1 1 8 8 ALA N N 8 129.962 129.962 128.152 1.810 18657 6179 1 18 . 1 1 8 8 ALA HA H 8 4.162 4.162 4.133 0.029 18657 6180 1 18 . 1 1 8 8 ALA C C 8 174.975 174.975 177.112 -2.137 18657 6181 1 18 . 1 1 8 8 ALA CA C 8 52.229 52.229 54.065 -1.836 18657 6182 1 18 . 1 1 8 8 ALA CB C 8 19.350 19.350 19.295 0.055 18657 6183 1 18 . 1 1 8 8 ALA H H 8 9.248 9.248 8.382 0.866 18657 6184 1 18 . 1 1 9 9 GLN N N 9 111.285 111.285 113.272 -1.987 18657 6185 1 18 . 1 1 9 9 GLN HA H 9 4.510 4.510 4.437 0.073 18657 6186 1 18 . 1 1 9 9 GLN C C 9 172.373 172.373 174.277 -1.904 18657 6187 1 18 . 1 1 9 9 GLN CA C 9 52.613 52.613 53.460 -0.847 18657 6188 1 18 . 1 1 9 9 GLN CB C 9 32.673 32.673 31.473 1.200 18657 6189 1 18 . 1 1 9 9 GLN H H 9 7.709 7.709 7.589 0.120 18657 6190 1 18 . 1 1 10 10 LEU N N 10 120.553 120.553 123.292 -2.739 18657 6191 1 18 . 1 1 10 10 LEU HA H 10 4.541 4.541 4.287 0.254 18657 6192 1 18 . 1 1 10 10 LEU C C 10 177.120 177.120 175.724 1.396 18657 6193 1 18 . 1 1 10 10 LEU CA C 10 56.329 56.329 56.006 0.323 18657 6194 1 18 . 1 1 10 10 LEU CB C 10 41.176 41.176 41.896 -0.720 18657 6195 1 18 . 1 1 10 10 LEU H H 10 8.501 8.501 8.531 -0.030 18657 6196 1 18 . 1 1 11 11 ILE N N 11 132.775 132.775 129.064 3.711 18657 6197 1 18 . 1 1 11 11 ILE HA H 11 4.604 4.604 4.571 0.033 18657 6198 1 18 . 1 1 11 11 ILE CA C 11 59.247 59.247 57.942 1.305 18657 6199 1 18 . 1 1 11 11 ILE CB C 11 39.630 39.630 39.504 0.126 18657 6200 1 18 . 1 1 11 11 ILE H H 11 9.329 9.329 9.006 0.323 18657 6201 1 18 . 1 1 12 12 PRO HA H 12 4.392 4.392 4.505 -0.113 18657 6202 1 18 . 1 1 12 12 PRO C C 12 176.644 176.644 176.359 0.285 18657 6203 1 18 . 1 1 12 12 PRO CA C 12 61.904 61.904 61.355 0.548 18657 6204 1 18 . 1 1 12 12 PRO CB C 12 32.576 32.576 32.383 0.193 18657 6205 1 18 . 1 1 13 13 ILE N N 13 121.774 121.774 119.874 1.900 18657 6206 1 18 . 1 1 13 13 ILE HA H 13 3.380 3.380 3.629 -0.249 18657 6207 1 18 . 1 1 13 13 ILE C C 13 173.621 173.621 175.863 -2.242 18657 6208 1 18 . 1 1 13 13 ILE CA C 13 63.705 63.705 62.747 0.958 18657 6209 1 18 . 1 1 13 13 ILE CB C 13 38.836 38.836 38.542 0.294 18657 6210 1 18 . 1 1 13 13 ILE H H 13 7.938 7.938 8.111 -0.173 18657 6211 1 18 . 1 1 14 14 ASN N N 14 117.013 117.013 122.134 -5.121 18657 6212 1 18 . 1 1 14 14 ASN HA H 14 4.565 4.565 4.454 0.111 18657 6213 1 18 . 1 1 14 14 ASN C C 14 173.943 173.943 174.180 -0.237 18657 6214 1 18 . 1 1 14 14 ASN CA C 14 55.344 55.344 54.987 0.357 18657 6215 1 18 . 1 1 14 14 ASN CB C 14 37.014 37.014 36.654 0.360 18657 6216 1 18 . 1 1 14 14 ASN H H 14 7.240 7.240 9.095 -1.855 18657 6217 1 18 . 1 1 15 15 THR N N 15 116.580 116.580 115.427 1.153 18657 6218 1 18 . 1 1 15 15 THR HA H 15 3.966 3.966 4.430 -0.464 18657 6219 1 18 . 1 1 15 15 THR C C 15 172.956 172.956 173.878 -0.922 18657 6220 1 18 . 1 1 15 15 THR CA C 15 64.332 64.332 61.754 2.578 18657 6221 1 18 . 1 1 15 15 THR CB C 15 69.532 69.532 69.819 -0.287 18657 6222 1 18 . 1 1 15 15 THR H H 15 7.313 7.313 7.450 -0.137 18657 6223 1 18 . 1 1 16 16 ALA N N 16 128.035 128.035 131.262 -3.227 18657 6224 1 18 . 1 1 16 16 ALA HA H 16 4.246 4.246 4.221 0.025 18657 6225 1 18 . 1 1 16 16 ALA C C 16 176.643 176.643 177.118 -0.475 18657 6226 1 18 . 1 1 16 16 ALA CA C 16 50.750 50.750 52.304 -1.554 18657 6227 1 18 . 1 1 16 16 ALA CB C 16 18.653 18.653 18.508 0.145 18657 6228 1 18 . 1 1 16 16 ALA H H 16 8.545 8.545 8.816 -0.271 18657 6229 1 18 . 1 1 17 17 LEU N N 17 125.094 125.094 126.841 -1.747 18657 6230 1 18 . 1 1 17 17 LEU HA H 17 4.505 4.505 4.284 0.221 18657 6231 1 18 . 1 1 17 17 LEU C C 17 178.848 178.848 177.322 1.526 18657 6232 1 18 . 1 1 17 17 LEU CA C 17 56.127 56.127 55.633 0.494 18657 6233 1 18 . 1 1 17 17 LEU CB C 17 42.573 42.573 42.596 -0.023 18657 6234 1 18 . 1 1 17 17 LEU H H 17 9.114 9.114 8.430 0.684 18657 6235 1 18 . 1 1 18 18 THR N N 18 113.568 113.568 112.291 1.277 18657 6236 1 18 . 1 1 18 18 THR HA H 18 4.623 4.623 4.466 0.157 18657 6237 1 18 . 1 1 18 18 THR C C 18 175.028 175.028 174.692 0.336 18657 6238 1 18 . 1 1 18 18 THR CA C 18 58.935 58.935 59.691 -0.756 18657 6239 1 18 . 1 1 18 18 THR CB C 18 71.185 71.185 71.745 -0.560 18657 6240 1 18 . 1 1 18 18 THR H H 18 7.980 7.980 8.018 -0.038 18657 6241 1 18 . 1 1 19 19 LEU N N 19 121.118 121.118 121.728 -0.610 18657 6242 1 18 . 1 1 19 19 LEU HA H 19 3.817 3.817 4.250 -0.433 18657 6243 1 18 . 1 1 19 19 LEU C C 19 179.309 179.309 176.516 2.793 18657 6244 1 18 . 1 1 19 19 LEU CA C 19 58.710 58.710 56.382 2.328 18657 6245 1 18 . 1 1 19 19 LEU CB C 19 42.213 42.213 41.797 0.416 18657 6246 1 18 . 1 1 19 19 LEU H H 19 8.882 8.882 8.637 0.245 18657 6247 1 18 . 1 1 20 20 VAL N N 20 110.454 110.454 109.571 0.883 18657 6248 1 18 . 1 1 20 20 VAL HA H 20 4.021 4.021 4.097 -0.076 18657 6249 1 18 . 1 1 20 20 VAL C C 20 176.778 176.778 176.073 0.705 18657 6250 1 18 . 1 1 20 20 VAL CA C 20 63.377 63.377 62.893 0.484 18657 6251 1 18 . 1 1 20 20 VAL CB C 20 31.558 31.558 31.887 -0.329 18657 6252 1 18 . 1 1 20 20 VAL H H 20 7.528 7.528 7.587 -0.059 18657 6253 1 18 . 1 1 21 21 MET N N 21 116.848 116.848 118.042 -1.194 18657 6254 1 18 . 1 1 21 21 MET HA H 21 3.940 3.940 4.597 -0.657 18657 6255 1 18 . 1 1 21 21 MET C C 21 175.514 175.514 175.104 0.410 18657 6256 1 18 . 1 1 21 21 MET CA C 21 57.965 57.965 55.587 2.378 18657 6257 1 18 . 1 1 21 21 MET CB C 21 32.889 32.889 34.955 -2.066 18657 6258 1 18 . 1 1 21 21 MET H H 21 7.518 7.518 8.065 -0.547 18657 6259 1 18 . 1 1 22 22 MET N N 22 116.986 116.986 117.611 -0.625 18657 6260 1 18 . 1 1 22 22 MET HA H 22 4.893 4.893 4.860 0.033 18657 6261 1 18 . 1 1 22 22 MET C C 22 173.981 173.981 174.705 -0.724 18657 6262 1 18 . 1 1 22 22 MET CA C 22 55.373 55.373 54.627 0.746 18657 6263 1 18 . 1 1 22 22 MET CB C 22 37.383 37.383 37.115 0.268 18657 6264 1 18 . 1 1 22 22 MET H H 22 7.709 7.709 7.388 0.321 18657 6265 1 18 . 1 1 23 23 THR N N 23 118.163 118.163 113.431 4.732 18657 6266 1 18 . 1 1 23 23 THR HA H 23 4.788 4.788 4.644 0.144 18657 6267 1 18 . 1 1 23 23 THR C C 23 172.307 172.307 172.592 -0.285 18657 6268 1 18 . 1 1 23 23 THR CA C 23 58.678 58.678 60.555 -1.877 18657 6269 1 18 . 1 1 23 23 THR CB C 23 69.836 69.836 70.592 -0.756 18657 6270 1 18 . 1 1 23 23 THR H H 23 9.041 9.041 8.137 0.904 18657 6271 1 18 . 1 1 24 24 THR N N 24 111.374 111.374 113.166 -1.792 18657 6272 1 18 . 1 1 24 24 THR HA H 24 5.691 5.691 5.169 0.522 18657 6273 1 18 . 1 1 24 24 THR C C 24 174.035 174.035 173.639 0.396 18657 6274 1 18 . 1 1 24 24 THR CA C 24 58.843 58.843 60.174 -1.331 18657 6275 1 18 . 1 1 24 24 THR CB C 24 71.456 71.456 71.310 0.146 18657 6276 1 18 . 1 1 24 24 THR H H 24 8.139 8.139 8.207 -0.068 18657 6277 1 18 . 1 1 25 25 ARG N N 25 119.402 119.402 123.558 -4.156 18657 6278 1 18 . 1 1 25 25 ARG HA H 25 4.575 4.575 4.448 0.127 18657 6279 1 18 . 1 1 25 25 ARG C C 25 174.979 174.979 173.824 1.155 18657 6280 1 18 . 1 1 25 25 ARG CA C 25 55.085 55.085 55.643 -0.558 18657 6281 1 18 . 1 1 25 25 ARG CB C 25 35.806 35.806 33.817 1.989 18657 6282 1 18 . 1 1 25 25 ARG H H 25 8.626 8.626 8.203 0.423 18657 6283 1 18 . 1 1 26 26 VAL N N 26 124.668 124.668 124.655 0.013 18657 6284 1 18 . 1 1 26 26 VAL HA H 26 4.132 4.132 3.967 0.165 18657 6285 1 18 . 1 1 26 26 VAL C C 26 174.893 174.893 176.177 -1.284 18657 6286 1 18 . 1 1 26 26 VAL CA C 26 64.085 64.085 63.593 0.492 18657 6287 1 18 . 1 1 26 26 VAL CB C 26 30.450 30.450 31.288 -0.838 18657 6288 1 18 . 1 1 26 26 VAL H H 26 9.050 9.050 8.431 0.619 18657 6289 1 18 . 1 1 27 27 VAL N N 27 123.136 123.136 122.087 1.049 18657 6290 1 18 . 1 1 27 27 VAL HA H 27 4.649 4.649 4.576 0.073 18657 6291 1 18 . 1 1 27 27 VAL C C 27 174.747 174.747 173.902 0.845 18657 6292 1 18 . 1 1 27 27 VAL CA C 27 59.232 59.232 59.403 -0.171 18657 6293 1 18 . 1 1 27 27 VAL CB C 27 36.205 36.205 35.243 0.962 18657 6294 1 18 . 1 1 27 27 VAL H H 27 8.266 8.266 7.953 0.313 18657 6295 1 18 . 1 1 28 28 SER N N 28 116.564 116.564 116.495 0.069 18657 6296 1 18 . 1 1 28 28 SER HA H 28 4.535 4.535 4.938 -0.403 18657 6297 1 18 . 1 1 28 28 SER CA C 28 54.880 54.880 55.491 -0.611 18657 6298 1 18 . 1 1 28 28 SER CB C 28 64.922 64.922 64.724 0.198 18657 6299 1 18 . 1 1 28 28 SER H H 28 8.302 8.302 8.378 -0.076 18657 6300 1 18 . 1 1 29 29 PRO HA H 29 4.774 4.774 4.685 0.089 18657 6301 1 18 . 1 1 29 29 PRO C C 29 176.324 176.324 176.075 0.249 18657 6302 1 18 . 1 1 29 29 PRO CA C 29 62.543 62.543 62.612 -0.069 18657 6303 1 18 . 1 1 29 29 PRO CB C 29 34.561 34.561 32.272 2.289 18657 6304 1 18 . 1 1 30 30 THR N N 30 113.418 113.418 111.899 1.519 18657 6305 1 18 . 1 1 30 30 THR HA H 30 3.830 3.830 4.350 -0.520 18657 6306 1 18 . 1 1 30 30 THR C C 30 174.556 174.556 174.150 0.406 18657 6307 1 18 . 1 1 30 30 THR CA C 30 62.846 62.846 61.686 1.160 18657 6308 1 18 . 1 1 30 30 THR CB C 30 69.384 69.384 69.823 -0.439 18657 6309 1 18 . 1 1 30 30 THR H H 30 8.492 8.492 8.192 0.300 18657 6310 1 18 . 1 1 31 31 GLY N N 31 109.224 109.224 109.484 -0.260 18657 6311 1 18 . 1 1 31 31 GLY C C 31 174.722 174.722 173.405 1.317 18657 6312 1 18 . 1 1 31 31 GLY CA C 31 44.844 44.844 43.422 1.422 18657 6313 1 18 . 1 1 31 31 GLY H H 31 8.054 8.054 8.075 -0.021 18657 6314 1 18 . 1 1 32 32 ILE N N 32 128.549 128.549 122.480 6.069 18657 6315 1 18 . 1 1 32 32 ILE HA H 32 3.959 3.959 4.001 -0.042 18657 6316 1 18 . 1 1 32 32 ILE CA C 32 61.251 61.251 62.114 -0.863 18657 6317 1 18 . 1 1 32 32 ILE CB C 32 39.665 39.665 37.491 2.174 18657 6318 1 18 . 1 1 32 32 ILE H H 32 8.820 8.820 8.064 0.756 18657 6319 1 18 . 1 1 33 33 PRO HA H 33 4.777 4.777 4.602 0.175 18657 6320 1 18 . 1 1 33 33 PRO C C 33 177.878 177.878 177.352 0.526 18657 6321 1 18 . 1 1 33 33 PRO CA C 33 63.110 63.110 62.376 0.734 18657 6322 1 18 . 1 1 33 33 PRO CB C 33 32.793 32.793 32.193 0.600 18657 6323 1 18 . 1 1 34 34 ALA N N 34 123.151 123.151 125.747 -2.596 18657 6324 1 18 . 1 1 34 34 ALA HA H 34 3.722 3.722 4.044 -0.322 18657 6325 1 18 . 1 1 34 34 ALA C C 34 179.547 179.547 179.499 0.048 18657 6326 1 18 . 1 1 34 34 ALA CA C 34 54.835 54.835 54.864 -0.029 18657 6327 1 18 . 1 1 34 34 ALA CB C 34 19.974 19.974 18.556 1.418 18657 6328 1 18 . 1 1 34 34 ALA H H 34 7.973 7.973 8.720 -0.747 18657 6329 1 18 . 1 1 35 35 GLU N N 35 116.421 116.421 117.299 -0.878 18657 6330 1 18 . 1 1 35 35 GLU HA H 35 4.022 4.022 4.127 -0.105 18657 6331 1 18 . 1 1 35 35 GLU C C 35 176.479 176.479 176.410 0.069 18657 6332 1 18 . 1 1 35 35 GLU CA C 35 58.966 58.966 58.159 0.807 18657 6333 1 18 . 1 1 35 35 GLU CB C 35 28.642 28.642 29.089 -0.447 18657 6334 1 18 . 1 1 35 35 GLU H H 35 9.247 9.247 8.604 0.643 18657 6335 1 18 . 1 1 36 36 ASP N N 36 118.097 118.097 118.837 -0.740 18657 6336 1 18 . 1 1 36 36 ASP HA H 36 4.955 4.955 4.878 0.077 18657 6337 1 18 . 1 1 36 36 ASP C C 36 176.823 176.823 176.711 0.112 18657 6338 1 18 . 1 1 36 36 ASP CA C 36 54.568 54.568 53.914 0.654 18657 6339 1 18 . 1 1 36 36 ASP CB C 36 40.971 40.971 40.513 0.458 18657 6340 1 18 . 1 1 36 36 ASP H H 36 8.146 8.146 8.311 -0.165 18657 6341 1 18 . 1 1 37 37 ILE N N 37 121.429 121.429 122.720 -1.291 18657 6342 1 18 . 1 1 37 37 ILE HA H 37 3.636 3.636 3.971 -0.335 18657 6343 1 18 . 1 1 37 37 ILE CA C 37 68.859 68.859 67.495 1.364 18657 6344 1 18 . 1 1 37 37 ILE CB C 37 35.859 35.859 36.434 -0.575 18657 6345 1 18 . 1 1 37 37 ILE H H 37 7.520 7.520 7.902 -0.382 18657 6346 1 18 . 1 1 38 38 PRO HA H 38 4.183 4.183 4.408 -0.225 18657 6347 1 18 . 1 1 38 38 PRO C C 38 179.052 179.052 176.938 2.114 18657 6348 1 18 . 1 1 38 38 PRO CA C 38 65.906 65.906 64.556 1.349 18657 6349 1 18 . 1 1 38 38 PRO CB C 38 31.030 31.030 31.009 0.021 18657 6350 1 18 . 1 1 39 39 ARG N N 39 115.064 115.064 117.007 -1.943 18657 6351 1 18 . 1 1 39 39 ARG HA H 39 4.237 4.237 4.376 -0.139 18657 6352 1 18 . 1 1 39 39 ARG C C 39 176.002 176.002 177.888 -1.886 18657 6353 1 18 . 1 1 39 39 ARG CA C 39 57.362 57.362 57.965 -0.603 18657 6354 1 18 . 1 1 39 39 ARG CB C 39 30.510 30.510 31.301 -0.791 18657 6355 1 18 . 1 1 39 39 ARG H H 39 7.367 7.367 7.960 -0.593 18657 6356 1 18 . 1 1 40 40 LEU N N 40 118.158 118.158 118.526 -0.368 18657 6357 1 18 . 1 1 40 40 LEU HA H 40 4.080 4.080 4.352 -0.272 18657 6358 1 18 . 1 1 40 40 LEU C C 40 177.804 177.804 177.110 0.694 18657 6359 1 18 . 1 1 40 40 LEU CA C 40 55.770 55.770 55.566 0.204 18657 6360 1 18 . 1 1 40 40 LEU CB C 40 42.782 42.782 41.781 1.001 18657 6361 1 18 . 1 1 40 40 LEU H H 40 7.782 7.782 8.318 -0.536 18657 6362 1 18 . 1 1 41 41 ILE N N 41 115.608 115.608 117.668 -2.060 18657 6363 1 18 . 1 1 41 41 ILE HA H 41 3.345 3.345 3.781 -0.436 18657 6364 1 18 . 1 1 41 41 ILE C C 41 178.078 178.078 176.418 1.660 18657 6365 1 18 . 1 1 41 41 ILE CA C 41 62.606 62.606 63.229 -0.623 18657 6366 1 18 . 1 1 41 41 ILE CB C 41 36.606 36.606 36.277 0.329 18657 6367 1 18 . 1 1 41 41 ILE H H 41 6.799 6.799 7.539 -0.740 18657 6368 1 18 . 1 1 42 42 SER N N 42 121.395 121.395 118.712 2.683 18657 6369 1 18 . 1 1 42 42 SER HA H 42 3.991 3.991 4.098 -0.107 18657 6370 1 18 . 1 1 42 42 SER C C 42 173.816 173.816 173.792 0.024 18657 6371 1 18 . 1 1 42 42 SER CA C 42 62.348 62.348 59.815 2.533 18657 6372 1 18 . 1 1 42 42 SER CB C 42 62.947 62.947 63.319 -0.372 18657 6373 1 18 . 1 1 42 42 SER H H 42 9.328 9.328 8.967 0.361 18657 6374 1 18 . 1 1 43 43 MET N N 43 123.672 123.672 120.758 2.914 18657 6375 1 18 . 1 1 43 43 MET HA H 43 4.449 4.449 4.624 -0.175 18657 6376 1 18 . 1 1 43 43 MET C C 43 175.128 175.128 176.030 -0.902 18657 6377 1 18 . 1 1 43 43 MET CA C 43 57.119 57.119 55.232 1.887 18657 6378 1 18 . 1 1 43 43 MET CB C 43 32.831 32.831 33.324 -0.493 18657 6379 1 18 . 1 1 43 43 MET H H 43 8.806 8.806 8.025 0.781 18657 6380 1 18 . 1 1 44 44 GLN N N 44 118.463 118.463 122.916 -4.453 18657 6381 1 18 . 1 1 44 44 GLN HA H 44 5.256 5.256 4.719 0.537 18657 6382 1 18 . 1 1 44 44 GLN C C 44 177.035 177.035 175.859 1.176 18657 6383 1 18 . 1 1 44 44 GLN CA C 44 54.304 54.304 55.428 -1.124 18657 6384 1 18 . 1 1 44 44 GLN CB C 44 32.083 32.083 29.884 2.200 18657 6385 1 18 . 1 1 44 44 GLN H H 44 8.947 8.947 8.733 0.214 18657 6386 1 18 . 1 1 45 45 VAL N N 45 111.238 111.238 112.898 -1.660 18657 6387 1 18 . 1 1 45 45 VAL HA H 45 5.297 5.297 4.697 0.600 18657 6388 1 18 . 1 1 45 45 VAL C C 45 177.962 177.962 175.523 2.439 18657 6389 1 18 . 1 1 45 45 VAL CA C 45 59.950 59.950 59.282 0.667 18657 6390 1 18 . 1 1 45 45 VAL CB C 45 33.437 33.437 34.291 -0.854 18657 6391 1 18 . 1 1 45 45 VAL H H 45 7.564 7.564 7.968 -0.404 18657 6392 1 18 . 1 1 46 46 ASN N N 46 118.782 118.782 121.136 -2.354 18657 6393 1 18 . 1 1 46 46 ASN HA H 46 4.716 4.716 4.733 -0.017 18657 6394 1 18 . 1 1 46 46 ASN C C 46 174.812 174.812 174.855 -0.043 18657 6395 1 18 . 1 1 46 46 ASN CA C 46 51.680 51.680 52.191 -0.511 18657 6396 1 18 . 1 1 46 46 ASN CB C 46 39.469 39.469 38.837 0.632 18657 6397 1 18 . 1 1 46 46 ASN H H 46 8.556 8.556 8.511 0.045 18657 6398 1 18 . 1 1 47 47 GLN N N 47 112.810 112.810 116.565 -3.755 18657 6399 1 18 . 1 1 47 47 GLN HA H 47 4.549 4.549 4.256 0.293 18657 6400 1 18 . 1 1 47 47 GLN C C 47 172.365 172.365 173.868 -1.503 18657 6401 1 18 . 1 1 47 47 GLN CA C 47 53.013 53.013 54.971 -1.958 18657 6402 1 18 . 1 1 47 47 GLN CB C 47 32.841 32.841 32.141 0.700 18657 6403 1 18 . 1 1 47 47 GLN H H 47 7.663 7.663 7.605 0.058 18657 6404 1 18 . 1 1 48 48 VAL N N 48 118.841 118.841 123.959 -5.118 18657 6405 1 18 . 1 1 48 48 VAL HA H 48 4.184 4.184 4.054 0.130 18657 6406 1 18 . 1 1 48 48 VAL C C 48 176.865 176.865 175.434 1.431 18657 6407 1 18 . 1 1 48 48 VAL CA C 48 62.932 62.932 63.508 -0.576 18657 6408 1 18 . 1 1 48 48 VAL CB C 48 31.788 31.788 31.696 0.092 18657 6409 1 18 . 1 1 48 48 VAL H H 48 8.407 8.407 8.482 -0.075 18657 6410 1 18 . 1 1 49 49 VAL N N 49 130.600 130.600 129.141 1.459 18657 6411 1 18 . 1 1 49 49 VAL HA H 49 4.547 4.547 4.574 -0.027 18657 6412 1 18 . 1 1 49 49 VAL CA C 49 59.419 59.419 57.950 1.469 18657 6413 1 18 . 1 1 49 49 VAL CB C 49 33.236 33.236 33.445 -0.209 18657 6414 1 18 . 1 1 49 49 VAL H H 49 9.165 9.165 9.194 -0.029 18657 6415 1 18 . 1 1 50 50 PRO HA H 50 4.227 4.227 4.558 -0.331 18657 6416 1 18 . 1 1 50 50 PRO C C 50 176.512 176.512 176.423 0.089 18657 6417 1 18 . 1 1 50 50 PRO CA C 50 62.220 62.220 61.876 0.344 18657 6418 1 18 . 1 1 50 50 PRO CB C 50 32.282 32.282 32.570 -0.288 18657 6419 1 18 . 1 1 51 51 MET N N 51 123.146 123.146 122.324 0.822 18657 6420 1 18 . 1 1 51 51 MET HA H 51 3.322 3.322 4.070 -0.748 18657 6421 1 18 . 1 1 51 51 MET C C 51 176.953 176.953 177.945 -0.992 18657 6422 1 18 . 1 1 51 51 MET CA C 51 58.534 58.534 57.858 0.676 18657 6423 1 18 . 1 1 51 51 MET CB C 51 32.593 32.593 32.993 -0.400 18657 6424 1 18 . 1 1 51 51 MET H H 51 8.598 8.598 8.518 0.080 18657 6425 1 18 . 1 1 52 52 GLY N N 52 114.707 114.707 114.442 0.265 18657 6426 1 18 . 1 1 52 52 GLY C C 52 173.693 173.693 174.340 -0.647 18657 6427 1 18 . 1 1 52 52 GLY CA C 52 45.046 45.046 45.657 -0.611 18657 6428 1 18 . 1 1 52 52 GLY H H 52 8.852 8.852 9.090 -0.238 18657 6429 1 18 . 1 1 53 53 THR N N 53 119.372 119.372 120.438 -1.066 18657 6430 1 18 . 1 1 53 53 THR HA H 53 4.143 4.143 4.287 -0.144 18657 6431 1 18 . 1 1 53 53 THR C C 53 173.482 173.482 174.750 -1.268 18657 6432 1 18 . 1 1 53 53 THR CA C 53 63.363 63.363 62.292 1.071 18657 6433 1 18 . 1 1 53 53 THR CB C 53 69.448 69.448 68.943 0.505 18657 6434 1 18 . 1 1 53 53 THR H H 53 7.706 7.706 8.000 -0.294 18657 6435 1 18 . 1 1 54 54 THR N N 54 125.168 125.168 123.371 1.797 18657 6436 1 18 . 1 1 54 54 THR HA H 54 4.137 4.137 4.116 0.021 18657 6437 1 18 . 1 1 54 54 THR C C 54 173.018 173.018 174.171 -1.153 18657 6438 1 18 . 1 1 54 54 THR CA C 54 63.314 63.314 64.094 -0.780 18657 6439 1 18 . 1 1 54 54 THR CB C 54 68.846 68.846 69.410 -0.564 18657 6440 1 18 . 1 1 54 54 THR H H 54 8.914 8.914 8.608 0.306 18657 6441 1 18 . 1 1 55 55 LEU N N 55 131.166 131.166 126.954 4.212 18657 6442 1 18 . 1 1 55 55 LEU HA H 55 4.298 4.298 4.430 -0.132 18657 6443 1 18 . 1 1 55 55 LEU C C 55 174.234 174.234 175.783 -1.549 18657 6444 1 18 . 1 1 55 55 LEU CA C 55 55.132 55.132 54.487 0.645 18657 6445 1 18 . 1 1 55 55 LEU CB C 55 42.317 42.317 43.141 -0.824 18657 6446 1 18 . 1 1 55 55 LEU H H 55 9.006 9.006 8.775 0.231 18657 6447 1 18 . 1 1 56 56 MET N N 56 126.627 126.627 122.042 4.585 18657 6448 1 18 . 1 1 56 56 MET HA H 56 5.043 5.043 4.859 0.184 18657 6449 1 18 . 1 1 56 56 MET CA C 56 51.058 51.058 52.486 -1.428 18657 6450 1 18 . 1 1 56 56 MET CB C 56 31.593 31.593 33.172 -1.579 18657 6451 1 18 . 1 1 56 56 MET H H 56 8.028 8.028 8.592 -0.564 18657 6452 1 18 . 1 1 57 57 PRO HA H 57 3.695 3.695 3.534 0.161 18657 6453 1 18 . 1 1 57 57 PRO C C 57 176.780 176.780 176.275 0.505 18657 6454 1 18 . 1 1 57 57 PRO CA C 57 66.142 66.142 64.398 1.744 18657 6455 1 18 . 1 1 57 57 PRO CB C 57 32.795 32.795 31.529 1.266 18657 6456 1 18 . 1 1 58 58 ASP N N 58 110.360 110.360 116.272 -5.912 18657 6457 1 18 . 1 1 58 58 ASP HA H 58 4.436 4.436 4.714 -0.278 18657 6458 1 18 . 1 1 58 58 ASP C C 58 176.945 176.945 175.718 1.227 18657 6459 1 18 . 1 1 58 58 ASP CA C 58 54.660 54.660 54.688 -0.028 18657 6460 1 18 . 1 1 58 58 ASP CB C 58 39.716 39.716 40.480 -0.764 18657 6461 1 18 . 1 1 58 58 ASP H H 58 8.036 8.036 8.543 -0.507 18657 6462 1 18 . 1 1 59 59 MET N N 59 116.951 116.951 116.902 0.049 18657 6463 1 18 . 1 1 59 59 MET HA H 59 4.642 4.642 4.811 -0.169 18657 6464 1 18 . 1 1 59 59 MET C C 59 174.817 174.817 174.527 0.290 18657 6465 1 18 . 1 1 59 59 MET CA C 59 56.757 56.757 55.499 1.258 18657 6466 1 18 . 1 1 59 59 MET CB C 59 33.587 33.587 35.065 -1.478 18657 6467 1 18 . 1 1 59 59 MET H H 59 8.066 8.066 7.373 0.693 18657 6468 1 18 . 1 1 60 60 VAL N N 60 117.470 117.470 120.308 -2.838 18657 6469 1 18 . 1 1 60 60 VAL HA H 60 4.351 4.351 4.474 -0.123 18657 6470 1 18 . 1 1 60 60 VAL C C 60 176.067 176.067 175.611 0.456 18657 6471 1 18 . 1 1 60 60 VAL CA C 60 61.229 61.229 59.580 1.649 18657 6472 1 18 . 1 1 60 60 VAL CB C 60 33.146 33.146 33.851 -0.705 18657 6473 1 18 . 1 1 60 60 VAL H H 60 7.109 7.109 7.286 -0.177 18657 6474 1 18 . 1 1 61 61 LYS N N 61 128.839 128.839 127.897 0.942 18657 6475 1 18 . 1 1 61 61 LYS HA H 61 4.122 4.122 4.449 -0.327 18657 6476 1 18 . 1 1 61 61 LYS C C 61 177.652 177.652 176.939 0.713 18657 6477 1 18 . 1 1 61 61 LYS CA C 61 58.146 58.146 55.948 2.198 18657 6478 1 18 . 1 1 61 61 LYS CB C 61 32.336 32.336 32.543 -0.207 18657 6479 1 18 . 1 1 61 61 LYS H H 61 9.069 9.069 8.154 0.915 18657 6480 1 18 . 1 1 62 62 GLY N N 62 113.363 113.363 109.816 3.547 18657 6481 1 18 . 1 1 62 62 GLY C C 62 174.621 174.621 174.458 0.163 18657 6482 1 18 . 1 1 62 62 GLY CA C 62 45.506 45.506 46.213 -0.707 18657 6483 1 18 . 1 1 62 62 GLY H H 62 9.094 9.094 8.674 0.420 18657 6484 1 18 . 1 1 63 63 TYR N N 63 120.959 120.959 119.661 1.298 18657 6485 1 18 . 1 1 63 63 TYR HA H 63 3.971 3.971 4.522 -0.551 18657 6486 1 18 . 1 1 63 63 TYR C C 63 174.228 174.228 174.730 -0.502 18657 6487 1 18 . 1 1 63 63 TYR CA C 63 60.374 60.374 58.006 2.368 18657 6488 1 18 . 1 1 63 63 TYR CB C 63 39.040 39.040 40.001 -0.961 18657 6489 1 18 . 1 1 63 63 TYR H H 63 7.564 7.564 7.437 0.127 18657 6490 1 18 . 1 1 64 64 ALA N N 64 129.533 129.533 122.932 6.601 18657 6491 1 18 . 1 1 64 64 ALA HA H 64 4.425 4.425 4.454 -0.029 18657 6492 1 18 . 1 1 64 64 ALA CA C 64 49.480 49.480 50.947 -1.467 18657 6493 1 18 . 1 1 64 64 ALA CB C 64 19.620 19.620 18.683 0.937 18657 6494 1 18 . 1 1 64 64 ALA H H 64 7.546 7.546 6.720 0.826 18657 6495 1 18 . 1 1 65 65 PRO HA H 65 4.250 4.250 4.497 -0.247 18657 6496 1 18 . 1 1 65 65 PRO C C 65 175.380 175.380 176.660 -1.280 18657 6497 1 18 . 1 1 65 65 PRO CA C 65 62.712 62.712 62.412 0.300 18657 6498 1 18 . 1 1 65 65 PRO CB C 65 32.210 32.210 32.364 -0.153 18657 6499 1 19 . 1 1 1 1 ASN HA H 1 4.703 4.703 4.898 -0.195 18657 6500 1 19 . 1 1 1 1 ASN C C 1 174.258 174.258 174.330 -0.072 18657 6501 1 19 . 1 1 1 1 ASN CA C 1 53.192 53.192 53.396 -0.204 18657 6502 1 19 . 1 1 1 1 ASN CB C 1 38.954 38.954 39.480 -0.526 18657 6503 1 19 . 1 1 2 2 GLN N N 2 120.041 120.041 122.977 -2.936 18657 6504 1 19 . 1 1 2 2 GLN HA H 2 4.323 4.323 4.440 -0.117 18657 6505 1 19 . 1 1 2 2 GLN C C 2 176.004 176.004 175.073 0.931 18657 6506 1 19 . 1 1 2 2 GLN CA C 2 55.835 55.835 55.346 0.489 18657 6507 1 19 . 1 1 2 2 GLN CB C 2 29.640 29.640 29.492 0.148 18657 6508 1 19 . 1 1 2 2 GLN H H 2 8.597 8.597 8.524 0.073 18657 6509 1 19 . 1 1 3 3 GLU N N 3 124.166 124.166 127.346 -3.180 18657 6510 1 19 . 1 1 3 3 GLU HA H 3 4.294 4.294 4.485 -0.191 18657 6511 1 19 . 1 1 3 3 GLU C C 3 177.305 177.305 175.406 1.899 18657 6512 1 19 . 1 1 3 3 GLU CA C 3 56.597 56.597 55.725 0.872 18657 6513 1 19 . 1 1 3 3 GLU CB C 3 32.196 32.196 30.825 1.371 18657 6514 1 19 . 1 1 3 3 GLU H H 3 9.025 9.025 8.868 0.157 18657 6515 1 19 . 1 1 4 4 SER N N 4 118.222 118.222 120.651 -2.429 18657 6516 1 19 . 1 1 4 4 SER HA H 4 5.412 5.412 5.130 0.282 18657 6517 1 19 . 1 1 4 4 SER C C 4 171.713 171.713 174.260 -2.547 18657 6518 1 19 . 1 1 4 4 SER CA C 4 57.271 57.271 57.437 -0.166 18657 6519 1 19 . 1 1 4 4 SER CB C 4 66.319 66.319 64.726 1.593 18657 6520 1 19 . 1 1 4 4 SER H H 4 8.925 8.925 8.182 0.743 18657 6521 1 19 . 1 1 5 5 VAL N N 5 122.304 122.304 123.669 -1.365 18657 6522 1 19 . 1 1 5 5 VAL HA H 5 4.156 4.156 4.473 -0.317 18657 6523 1 19 . 1 1 5 5 VAL C C 5 174.325 174.325 175.772 -1.447 18657 6524 1 19 . 1 1 5 5 VAL CA C 5 63.408 63.408 64.297 -0.889 18657 6525 1 19 . 1 1 5 5 VAL CB C 5 31.916 31.916 31.938 -0.022 18657 6526 1 19 . 1 1 5 5 VAL H H 5 8.506 8.506 8.826 -0.320 18657 6527 1 19 . 1 1 6 6 VAL N N 6 126.068 126.068 127.092 -1.024 18657 6528 1 19 . 1 1 6 6 VAL HA H 6 4.512 4.512 4.273 0.239 18657 6529 1 19 . 1 1 6 6 VAL C C 6 174.958 174.958 174.768 0.190 18657 6530 1 19 . 1 1 6 6 VAL CA C 6 59.365 59.365 60.504 -1.139 18657 6531 1 19 . 1 1 6 6 VAL CB C 6 36.189 36.189 34.749 1.440 18657 6532 1 19 . 1 1 6 6 VAL H H 6 8.637 8.637 8.682 -0.045 18657 6533 1 19 . 1 1 7 7 ALA N N 7 126.887 126.887 129.810 -2.923 18657 6534 1 19 . 1 1 7 7 ALA HA H 7 4.441 4.441 4.175 0.266 18657 6535 1 19 . 1 1 7 7 ALA C C 7 178.642 178.642 177.910 0.732 18657 6536 1 19 . 1 1 7 7 ALA CA C 7 53.079 53.079 52.532 0.547 18657 6537 1 19 . 1 1 7 7 ALA CB C 7 19.055 19.055 18.719 0.336 18657 6538 1 19 . 1 1 7 7 ALA H H 7 8.318 8.318 8.036 0.282 18657 6539 1 19 . 1 1 8 8 ALA N N 8 129.962 129.962 127.683 2.279 18657 6540 1 19 . 1 1 8 8 ALA HA H 8 4.162 4.162 4.121 0.041 18657 6541 1 19 . 1 1 8 8 ALA C C 8 174.975 174.975 177.065 -2.090 18657 6542 1 19 . 1 1 8 8 ALA CA C 8 52.229 52.229 53.904 -1.675 18657 6543 1 19 . 1 1 8 8 ALA CB C 8 19.350 19.350 19.261 0.089 18657 6544 1 19 . 1 1 8 8 ALA H H 8 9.248 9.248 8.278 0.970 18657 6545 1 19 . 1 1 9 9 GLN N N 9 111.285 111.285 112.690 -1.405 18657 6546 1 19 . 1 1 9 9 GLN HA H 9 4.510 4.510 4.406 0.104 18657 6547 1 19 . 1 1 9 9 GLN C C 9 172.373 172.373 174.385 -2.012 18657 6548 1 19 . 1 1 9 9 GLN CA C 9 52.613 52.613 53.750 -1.137 18657 6549 1 19 . 1 1 9 9 GLN CB C 9 32.673 32.673 30.745 1.927 18657 6550 1 19 . 1 1 9 9 GLN H H 9 7.709 7.709 7.477 0.232 18657 6551 1 19 . 1 1 10 10 LEU N N 10 120.553 120.553 122.187 -1.634 18657 6552 1 19 . 1 1 10 10 LEU HA H 10 4.541 4.541 4.203 0.338 18657 6553 1 19 . 1 1 10 10 LEU C C 10 177.120 177.120 175.623 1.497 18657 6554 1 19 . 1 1 10 10 LEU CA C 10 56.329 56.329 56.366 -0.037 18657 6555 1 19 . 1 1 10 10 LEU CB C 10 41.176 41.176 42.332 -1.156 18657 6556 1 19 . 1 1 10 10 LEU H H 10 8.501 8.501 8.538 -0.037 18657 6557 1 19 . 1 1 11 11 ILE N N 11 132.775 132.775 127.389 5.386 18657 6558 1 19 . 1 1 11 11 ILE HA H 11 4.604 4.604 4.586 0.018 18657 6559 1 19 . 1 1 11 11 ILE CA C 11 59.247 59.247 57.804 1.443 18657 6560 1 19 . 1 1 11 11 ILE CB C 11 39.630 39.630 41.331 -1.701 18657 6561 1 19 . 1 1 11 11 ILE H H 11 9.329 9.329 8.812 0.517 18657 6562 1 19 . 1 1 12 12 PRO HA H 12 4.392 4.392 4.472 -0.080 18657 6563 1 19 . 1 1 12 12 PRO C C 12 176.644 176.644 176.362 0.282 18657 6564 1 19 . 1 1 12 12 PRO CA C 12 61.904 61.904 61.708 0.196 18657 6565 1 19 . 1 1 12 12 PRO CB C 12 32.576 32.576 32.197 0.379 18657 6566 1 19 . 1 1 13 13 ILE N N 13 121.774 121.774 119.071 2.703 18657 6567 1 19 . 1 1 13 13 ILE HA H 13 3.380 3.380 3.820 -0.440 18657 6568 1 19 . 1 1 13 13 ILE C C 13 173.621 173.621 176.557 -2.936 18657 6569 1 19 . 1 1 13 13 ILE CA C 13 63.705 63.705 62.203 1.502 18657 6570 1 19 . 1 1 13 13 ILE CB C 13 38.836 38.836 38.977 -0.141 18657 6571 1 19 . 1 1 13 13 ILE H H 13 7.938 7.938 8.113 -0.175 18657 6572 1 19 . 1 1 14 14 ASN N N 14 117.013 117.013 124.022 -7.009 18657 6573 1 19 . 1 1 14 14 ASN HA H 14 4.565 4.565 4.429 0.136 18657 6574 1 19 . 1 1 14 14 ASN C C 14 173.943 173.943 173.743 0.200 18657 6575 1 19 . 1 1 14 14 ASN CA C 14 55.344 55.344 54.545 0.799 18657 6576 1 19 . 1 1 14 14 ASN CB C 14 37.014 37.014 37.032 -0.018 18657 6577 1 19 . 1 1 14 14 ASN H H 14 7.240 7.240 9.159 -1.919 18657 6578 1 19 . 1 1 15 15 THR N N 15 116.580 116.580 115.231 1.349 18657 6579 1 19 . 1 1 15 15 THR HA H 15 3.966 3.966 4.449 -0.482 18657 6580 1 19 . 1 1 15 15 THR C C 15 172.956 172.956 173.750 -0.794 18657 6581 1 19 . 1 1 15 15 THR CA C 15 64.332 64.332 61.895 2.437 18657 6582 1 19 . 1 1 15 15 THR CB C 15 69.532 69.532 69.843 -0.311 18657 6583 1 19 . 1 1 15 15 THR H H 15 7.313 7.313 7.553 -0.240 18657 6584 1 19 . 1 1 16 16 ALA N N 16 128.035 128.035 131.904 -3.869 18657 6585 1 19 . 1 1 16 16 ALA HA H 16 4.246 4.246 4.066 0.180 18657 6586 1 19 . 1 1 16 16 ALA C C 16 176.643 176.643 176.755 -0.112 18657 6587 1 19 . 1 1 16 16 ALA CA C 16 50.750 50.750 52.359 -1.609 18657 6588 1 19 . 1 1 16 16 ALA CB C 16 18.653 18.653 18.288 0.365 18657 6589 1 19 . 1 1 16 16 ALA H H 16 8.545 8.545 8.798 -0.253 18657 6590 1 19 . 1 1 17 17 LEU N N 17 125.094 125.094 125.407 -0.313 18657 6591 1 19 . 1 1 17 17 LEU HA H 17 4.505 4.505 4.235 0.270 18657 6592 1 19 . 1 1 17 17 LEU C C 17 178.848 178.848 176.549 2.299 18657 6593 1 19 . 1 1 17 17 LEU CA C 17 56.127 56.127 55.909 0.218 18657 6594 1 19 . 1 1 17 17 LEU CB C 17 42.573 42.573 42.607 -0.034 18657 6595 1 19 . 1 1 17 17 LEU H H 17 9.114 9.114 8.190 0.924 18657 6596 1 19 . 1 1 18 18 THR N N 18 113.568 113.568 113.543 0.025 18657 6597 1 19 . 1 1 18 18 THR HA H 18 4.623 4.623 4.427 0.196 18657 6598 1 19 . 1 1 18 18 THR C C 18 175.028 175.028 174.607 0.421 18657 6599 1 19 . 1 1 18 18 THR CA C 18 58.935 58.935 60.653 -1.718 18657 6600 1 19 . 1 1 18 18 THR CB C 18 71.185 71.185 70.974 0.211 18657 6601 1 19 . 1 1 18 18 THR H H 18 7.980 7.980 7.954 0.026 18657 6602 1 19 . 1 1 19 19 LEU N N 19 121.118 121.118 122.881 -1.763 18657 6603 1 19 . 1 1 19 19 LEU HA H 19 3.817 3.817 4.377 -0.560 18657 6604 1 19 . 1 1 19 19 LEU C C 19 179.309 179.309 176.071 3.238 18657 6605 1 19 . 1 1 19 19 LEU CA C 19 58.710 58.710 56.532 2.178 18657 6606 1 19 . 1 1 19 19 LEU CB C 19 42.213 42.213 42.023 0.190 18657 6607 1 19 . 1 1 19 19 LEU H H 19 8.882 8.882 8.602 0.280 18657 6608 1 19 . 1 1 20 20 VAL N N 20 110.454 110.454 111.017 -0.563 18657 6609 1 19 . 1 1 20 20 VAL HA H 20 4.021 4.021 4.088 -0.067 18657 6610 1 19 . 1 1 20 20 VAL C C 20 176.778 176.778 175.403 1.375 18657 6611 1 19 . 1 1 20 20 VAL CA C 20 63.377 63.377 62.457 0.920 18657 6612 1 19 . 1 1 20 20 VAL CB C 20 31.558 31.558 31.651 -0.093 18657 6613 1 19 . 1 1 20 20 VAL H H 20 7.528 7.528 7.604 -0.076 18657 6614 1 19 . 1 1 21 21 MET N N 21 116.848 116.848 117.882 -1.034 18657 6615 1 19 . 1 1 21 21 MET HA H 21 3.940 3.940 4.603 -0.663 18657 6616 1 19 . 1 1 21 21 MET C C 21 175.514 175.514 175.084 0.430 18657 6617 1 19 . 1 1 21 21 MET CA C 21 57.965 57.965 55.735 2.230 18657 6618 1 19 . 1 1 21 21 MET CB C 21 32.889 32.889 34.623 -1.734 18657 6619 1 19 . 1 1 21 21 MET H H 21 7.518 7.518 7.946 -0.428 18657 6620 1 19 . 1 1 22 22 MET N N 22 116.986 116.986 116.995 -0.009 18657 6621 1 19 . 1 1 22 22 MET HA H 22 4.893 4.893 4.808 0.085 18657 6622 1 19 . 1 1 22 22 MET C C 22 173.981 173.981 174.617 -0.636 18657 6623 1 19 . 1 1 22 22 MET CA C 22 55.373 55.373 54.588 0.785 18657 6624 1 19 . 1 1 22 22 MET CB C 22 37.383 37.383 37.149 0.234 18657 6625 1 19 . 1 1 22 22 MET H H 22 7.709 7.709 7.395 0.314 18657 6626 1 19 . 1 1 23 23 THR N N 23 118.163 118.163 113.299 4.864 18657 6627 1 19 . 1 1 23 23 THR HA H 23 4.788 4.788 4.719 0.069 18657 6628 1 19 . 1 1 23 23 THR C C 23 172.307 172.307 172.295 0.012 18657 6629 1 19 . 1 1 23 23 THR CA C 23 58.678 58.678 60.971 -2.293 18657 6630 1 19 . 1 1 23 23 THR CB C 23 69.836 69.836 70.601 -0.765 18657 6631 1 19 . 1 1 23 23 THR H H 23 9.041 9.041 8.248 0.793 18657 6632 1 19 . 1 1 24 24 THR N N 24 111.374 111.374 113.524 -2.150 18657 6633 1 19 . 1 1 24 24 THR HA H 24 5.691 5.691 5.199 0.492 18657 6634 1 19 . 1 1 24 24 THR C C 24 174.035 174.035 173.690 0.345 18657 6635 1 19 . 1 1 24 24 THR CA C 24 58.843 58.843 60.559 -1.716 18657 6636 1 19 . 1 1 24 24 THR CB C 24 71.456 71.456 71.491 -0.035 18657 6637 1 19 . 1 1 24 24 THR H H 24 8.139 8.139 8.319 -0.180 18657 6638 1 19 . 1 1 25 25 ARG N N 25 119.402 119.402 124.051 -4.649 18657 6639 1 19 . 1 1 25 25 ARG HA H 25 4.575 4.575 4.423 0.152 18657 6640 1 19 . 1 1 25 25 ARG C C 25 174.979 174.979 173.876 1.103 18657 6641 1 19 . 1 1 25 25 ARG CA C 25 55.085 55.085 55.859 -0.774 18657 6642 1 19 . 1 1 25 25 ARG CB C 25 35.806 35.806 33.427 2.379 18657 6643 1 19 . 1 1 25 25 ARG H H 25 8.626 8.626 8.293 0.333 18657 6644 1 19 . 1 1 26 26 VAL N N 26 124.668 124.668 124.296 0.372 18657 6645 1 19 . 1 1 26 26 VAL HA H 26 4.132 4.132 4.166 -0.034 18657 6646 1 19 . 1 1 26 26 VAL C C 26 174.893 174.893 176.483 -1.590 18657 6647 1 19 . 1 1 26 26 VAL CA C 26 64.085 64.085 62.762 1.323 18657 6648 1 19 . 1 1 26 26 VAL CB C 26 30.450 30.450 30.448 0.002 18657 6649 1 19 . 1 1 26 26 VAL H H 26 9.050 9.050 8.337 0.713 18657 6650 1 19 . 1 1 27 27 VAL N N 27 123.136 123.136 122.235 0.901 18657 6651 1 19 . 1 1 27 27 VAL HA H 27 4.649 4.649 4.545 0.104 18657 6652 1 19 . 1 1 27 27 VAL C C 27 174.747 174.747 174.027 0.720 18657 6653 1 19 . 1 1 27 27 VAL CA C 27 59.232 59.232 59.673 -0.441 18657 6654 1 19 . 1 1 27 27 VAL CB C 27 36.205 36.205 35.801 0.404 18657 6655 1 19 . 1 1 27 27 VAL H H 27 8.266 8.266 7.854 0.412 18657 6656 1 19 . 1 1 28 28 SER N N 28 116.564 116.564 115.850 0.714 18657 6657 1 19 . 1 1 28 28 SER HA H 28 4.535 4.535 4.949 -0.414 18657 6658 1 19 . 1 1 28 28 SER CA C 28 54.880 54.880 55.349 -0.469 18657 6659 1 19 . 1 1 28 28 SER CB C 28 64.922 64.922 64.677 0.245 18657 6660 1 19 . 1 1 28 28 SER H H 28 8.302 8.302 8.324 -0.022 18657 6661 1 19 . 1 1 29 29 PRO HA H 29 4.774 4.774 4.672 0.102 18657 6662 1 19 . 1 1 29 29 PRO C C 29 176.324 176.324 176.144 0.180 18657 6663 1 19 . 1 1 29 29 PRO CA C 29 62.543 62.543 62.563 -0.020 18657 6664 1 19 . 1 1 29 29 PRO CB C 29 34.561 34.561 32.355 2.206 18657 6665 1 19 . 1 1 30 30 THR N N 30 113.418 113.418 112.146 1.272 18657 6666 1 19 . 1 1 30 30 THR HA H 30 3.830 3.830 4.307 -0.477 18657 6667 1 19 . 1 1 30 30 THR C C 30 174.556 174.556 174.020 0.536 18657 6668 1 19 . 1 1 30 30 THR CA C 30 62.846 62.846 61.932 0.914 18657 6669 1 19 . 1 1 30 30 THR CB C 30 69.384 69.384 69.731 -0.347 18657 6670 1 19 . 1 1 30 30 THR H H 30 8.492 8.492 8.199 0.293 18657 6671 1 19 . 1 1 31 31 GLY N N 31 109.224 109.224 110.259 -1.035 18657 6672 1 19 . 1 1 31 31 GLY C C 31 174.722 174.722 173.400 1.322 18657 6673 1 19 . 1 1 31 31 GLY CA C 31 44.844 44.844 43.367 1.476 18657 6674 1 19 . 1 1 31 31 GLY H H 31 8.054 8.054 8.134 -0.080 18657 6675 1 19 . 1 1 32 32 ILE N N 32 128.549 128.549 122.720 5.829 18657 6676 1 19 . 1 1 32 32 ILE HA H 32 3.959 3.959 3.971 -0.012 18657 6677 1 19 . 1 1 32 32 ILE CA C 32 61.251 61.251 62.149 -0.898 18657 6678 1 19 . 1 1 32 32 ILE CB C 32 39.665 39.665 37.851 1.814 18657 6679 1 19 . 1 1 32 32 ILE H H 32 8.820 8.820 8.136 0.684 18657 6680 1 19 . 1 1 33 33 PRO HA H 33 4.777 4.777 4.600 0.177 18657 6681 1 19 . 1 1 33 33 PRO C C 33 177.878 177.878 177.257 0.621 18657 6682 1 19 . 1 1 33 33 PRO CA C 33 63.110 63.110 62.489 0.621 18657 6683 1 19 . 1 1 33 33 PRO CB C 33 32.793 32.793 32.162 0.631 18657 6684 1 19 . 1 1 34 34 ALA N N 34 123.151 123.151 126.372 -3.221 18657 6685 1 19 . 1 1 34 34 ALA HA H 34 3.722 3.722 4.046 -0.324 18657 6686 1 19 . 1 1 34 34 ALA C C 34 179.547 179.547 179.464 0.083 18657 6687 1 19 . 1 1 34 34 ALA CA C 34 54.835 54.835 54.840 -0.005 18657 6688 1 19 . 1 1 34 34 ALA CB C 34 19.974 19.974 18.567 1.407 18657 6689 1 19 . 1 1 34 34 ALA H H 34 7.973 7.973 8.859 -0.886 18657 6690 1 19 . 1 1 35 35 GLU N N 35 116.421 116.421 117.210 -0.789 18657 6691 1 19 . 1 1 35 35 GLU HA H 35 4.022 4.022 4.140 -0.118 18657 6692 1 19 . 1 1 35 35 GLU C C 35 176.479 176.479 176.361 0.118 18657 6693 1 19 . 1 1 35 35 GLU CA C 35 58.966 58.966 58.114 0.852 18657 6694 1 19 . 1 1 35 35 GLU CB C 35 28.642 28.642 29.108 -0.466 18657 6695 1 19 . 1 1 35 35 GLU H H 35 9.247 9.247 8.611 0.636 18657 6696 1 19 . 1 1 36 36 ASP N N 36 118.097 118.097 118.823 -0.726 18657 6697 1 19 . 1 1 36 36 ASP HA H 36 4.955 4.955 4.892 0.063 18657 6698 1 19 . 1 1 36 36 ASP C C 36 176.823 176.823 176.662 0.161 18657 6699 1 19 . 1 1 36 36 ASP CA C 36 54.568 54.568 53.744 0.824 18657 6700 1 19 . 1 1 36 36 ASP CB C 36 40.971 40.971 40.539 0.432 18657 6701 1 19 . 1 1 36 36 ASP H H 36 8.146 8.146 8.313 -0.167 18657 6702 1 19 . 1 1 37 37 ILE N N 37 121.429 121.429 122.760 -1.331 18657 6703 1 19 . 1 1 37 37 ILE HA H 37 3.636 3.636 3.964 -0.328 18657 6704 1 19 . 1 1 37 37 ILE CA C 37 68.859 68.859 67.535 1.324 18657 6705 1 19 . 1 1 37 37 ILE CB C 37 35.859 35.859 36.400 -0.541 18657 6706 1 19 . 1 1 37 37 ILE H H 37 7.520 7.520 7.809 -0.289 18657 6707 1 19 . 1 1 38 38 PRO HA H 38 4.183 4.183 4.402 -0.219 18657 6708 1 19 . 1 1 38 38 PRO C C 38 179.052 179.052 176.984 2.068 18657 6709 1 19 . 1 1 38 38 PRO CA C 38 65.906 65.906 64.571 1.335 18657 6710 1 19 . 1 1 38 38 PRO CB C 38 31.030 31.030 31.041 -0.011 18657 6711 1 19 . 1 1 39 39 ARG N N 39 115.064 115.064 116.896 -1.832 18657 6712 1 19 . 1 1 39 39 ARG HA H 39 4.237 4.237 4.386 -0.149 18657 6713 1 19 . 1 1 39 39 ARG C C 39 176.002 176.002 177.839 -1.837 18657 6714 1 19 . 1 1 39 39 ARG CA C 39 57.362 57.362 57.887 -0.525 18657 6715 1 19 . 1 1 39 39 ARG CB C 39 30.510 30.510 31.469 -0.959 18657 6716 1 19 . 1 1 39 39 ARG H H 39 7.367 7.367 8.002 -0.635 18657 6717 1 19 . 1 1 40 40 LEU N N 40 118.158 118.158 118.549 -0.391 18657 6718 1 19 . 1 1 40 40 LEU HA H 40 4.080 4.080 4.368 -0.288 18657 6719 1 19 . 1 1 40 40 LEU C C 40 177.804 177.804 177.076 0.728 18657 6720 1 19 . 1 1 40 40 LEU CA C 40 55.770 55.770 55.463 0.307 18657 6721 1 19 . 1 1 40 40 LEU CB C 40 42.782 42.782 41.865 0.917 18657 6722 1 19 . 1 1 40 40 LEU H H 40 7.782 7.782 8.322 -0.540 18657 6723 1 19 . 1 1 41 41 ILE N N 41 115.608 115.608 117.759 -2.151 18657 6724 1 19 . 1 1 41 41 ILE HA H 41 3.345 3.345 3.772 -0.427 18657 6725 1 19 . 1 1 41 41 ILE C C 41 178.078 178.078 176.351 1.727 18657 6726 1 19 . 1 1 41 41 ILE CA C 41 62.606 62.606 63.261 -0.655 18657 6727 1 19 . 1 1 41 41 ILE CB C 41 36.606 36.606 36.433 0.173 18657 6728 1 19 . 1 1 41 41 ILE H H 41 6.799 6.799 7.528 -0.729 18657 6729 1 19 . 1 1 42 42 SER N N 42 121.395 121.395 118.678 2.717 18657 6730 1 19 . 1 1 42 42 SER HA H 42 3.991 3.991 4.096 -0.105 18657 6731 1 19 . 1 1 42 42 SER C C 42 173.816 173.816 173.762 0.054 18657 6732 1 19 . 1 1 42 42 SER CA C 42 62.348 62.348 59.797 2.551 18657 6733 1 19 . 1 1 42 42 SER CB C 42 62.947 62.947 63.318 -0.371 18657 6734 1 19 . 1 1 42 42 SER H H 42 9.328 9.328 8.933 0.395 18657 6735 1 19 . 1 1 43 43 MET N N 43 123.672 123.672 120.667 3.005 18657 6736 1 19 . 1 1 43 43 MET HA H 43 4.449 4.449 4.632 -0.183 18657 6737 1 19 . 1 1 43 43 MET C C 43 175.128 175.128 175.918 -0.790 18657 6738 1 19 . 1 1 43 43 MET CA C 43 57.119 57.119 55.231 1.888 18657 6739 1 19 . 1 1 43 43 MET CB C 43 32.831 32.831 33.434 -0.603 18657 6740 1 19 . 1 1 43 43 MET H H 43 8.806 8.806 8.022 0.784 18657 6741 1 19 . 1 1 44 44 GLN N N 44 118.463 118.463 122.965 -4.502 18657 6742 1 19 . 1 1 44 44 GLN HA H 44 5.256 5.256 4.699 0.557 18657 6743 1 19 . 1 1 44 44 GLN C C 44 177.035 177.035 175.711 1.324 18657 6744 1 19 . 1 1 44 44 GLN CA C 44 54.304 54.304 55.145 -0.841 18657 6745 1 19 . 1 1 44 44 GLN CB C 44 32.083 32.083 29.960 2.123 18657 6746 1 19 . 1 1 44 44 GLN H H 44 8.947 8.947 8.721 0.226 18657 6747 1 19 . 1 1 45 45 VAL N N 45 111.238 111.238 114.860 -3.622 18657 6748 1 19 . 1 1 45 45 VAL HA H 45 5.297 5.297 4.642 0.655 18657 6749 1 19 . 1 1 45 45 VAL C C 45 177.962 177.962 175.394 2.568 18657 6750 1 19 . 1 1 45 45 VAL CA C 45 59.950 59.950 59.234 0.716 18657 6751 1 19 . 1 1 45 45 VAL CB C 45 33.437 33.437 33.588 -0.151 18657 6752 1 19 . 1 1 45 45 VAL H H 45 7.564 7.564 8.099 -0.535 18657 6753 1 19 . 1 1 46 46 ASN N N 46 118.782 118.782 121.558 -2.776 18657 6754 1 19 . 1 1 46 46 ASN HA H 46 4.716 4.716 4.699 0.017 18657 6755 1 19 . 1 1 46 46 ASN C C 46 174.812 174.812 174.341 0.471 18657 6756 1 19 . 1 1 46 46 ASN CA C 46 51.680 51.680 52.763 -1.083 18657 6757 1 19 . 1 1 46 46 ASN CB C 46 39.469 39.469 38.489 0.980 18657 6758 1 19 . 1 1 46 46 ASN H H 46 8.556 8.556 8.424 0.132 18657 6759 1 19 . 1 1 47 47 GLN N N 47 112.810 112.810 116.583 -3.773 18657 6760 1 19 . 1 1 47 47 GLN HA H 47 4.549 4.549 4.262 0.287 18657 6761 1 19 . 1 1 47 47 GLN C C 47 172.365 172.365 173.888 -1.523 18657 6762 1 19 . 1 1 47 47 GLN CA C 47 53.013 53.013 55.001 -1.988 18657 6763 1 19 . 1 1 47 47 GLN CB C 47 32.841 32.841 32.095 0.746 18657 6764 1 19 . 1 1 47 47 GLN H H 47 7.663 7.663 7.604 0.059 18657 6765 1 19 . 1 1 48 48 VAL N N 48 118.841 118.841 124.056 -5.215 18657 6766 1 19 . 1 1 48 48 VAL HA H 48 4.184 4.184 3.969 0.215 18657 6767 1 19 . 1 1 48 48 VAL C C 48 176.865 176.865 175.674 1.191 18657 6768 1 19 . 1 1 48 48 VAL CA C 48 62.932 62.932 63.653 -0.721 18657 6769 1 19 . 1 1 48 48 VAL CB C 48 31.788 31.788 31.603 0.185 18657 6770 1 19 . 1 1 48 48 VAL H H 48 8.407 8.407 8.493 -0.086 18657 6771 1 19 . 1 1 49 49 VAL N N 49 130.600 130.600 128.979 1.621 18657 6772 1 19 . 1 1 49 49 VAL HA H 49 4.547 4.547 4.507 0.040 18657 6773 1 19 . 1 1 49 49 VAL CA C 49 59.419 59.419 59.437 -0.018 18657 6774 1 19 . 1 1 49 49 VAL CB C 49 33.236 33.236 33.433 -0.197 18657 6775 1 19 . 1 1 49 49 VAL H H 49 9.165 9.165 9.018 0.147 18657 6776 1 19 . 1 1 50 50 PRO HA H 50 4.227 4.227 4.499 -0.272 18657 6777 1 19 . 1 1 50 50 PRO C C 50 176.512 176.512 176.146 0.366 18657 6778 1 19 . 1 1 50 50 PRO CA C 50 62.220 62.220 61.641 0.579 18657 6779 1 19 . 1 1 50 50 PRO CB C 50 32.282 32.282 32.541 -0.259 18657 6780 1 19 . 1 1 51 51 MET N N 51 123.146 123.146 119.573 3.573 18657 6781 1 19 . 1 1 51 51 MET HA H 51 3.322 3.322 3.974 -0.652 18657 6782 1 19 . 1 1 51 51 MET C C 51 176.953 176.953 177.737 -0.784 18657 6783 1 19 . 1 1 51 51 MET CA C 51 58.534 58.534 57.650 0.884 18657 6784 1 19 . 1 1 51 51 MET CB C 51 32.593 32.593 33.004 -0.411 18657 6785 1 19 . 1 1 51 51 MET H H 51 8.598 8.598 8.319 0.279 18657 6786 1 19 . 1 1 52 52 GLY N N 52 114.707 114.707 114.524 0.183 18657 6787 1 19 . 1 1 52 52 GLY C C 52 173.693 173.693 174.237 -0.544 18657 6788 1 19 . 1 1 52 52 GLY CA C 52 45.046 45.046 45.618 -0.572 18657 6789 1 19 . 1 1 52 52 GLY H H 52 8.852 8.852 9.107 -0.255 18657 6790 1 19 . 1 1 53 53 THR N N 53 119.372 119.372 120.157 -0.785 18657 6791 1 19 . 1 1 53 53 THR HA H 53 4.143 4.143 4.338 -0.195 18657 6792 1 19 . 1 1 53 53 THR C C 53 173.482 173.482 174.582 -1.100 18657 6793 1 19 . 1 1 53 53 THR CA C 53 63.363 63.363 61.961 1.402 18657 6794 1 19 . 1 1 53 53 THR CB C 53 69.448 69.448 69.178 0.270 18657 6795 1 19 . 1 1 53 53 THR H H 53 7.706 7.706 7.711 -0.005 18657 6796 1 19 . 1 1 54 54 THR N N 54 125.168 125.168 123.357 1.811 18657 6797 1 19 . 1 1 54 54 THR HA H 54 4.137 4.137 4.164 -0.027 18657 6798 1 19 . 1 1 54 54 THR C C 54 173.018 173.018 174.056 -1.038 18657 6799 1 19 . 1 1 54 54 THR CA C 54 63.314 63.314 64.288 -0.974 18657 6800 1 19 . 1 1 54 54 THR CB C 54 68.846 68.846 69.395 -0.549 18657 6801 1 19 . 1 1 54 54 THR H H 54 8.914 8.914 8.642 0.272 18657 6802 1 19 . 1 1 55 55 LEU N N 55 131.166 131.166 126.921 4.245 18657 6803 1 19 . 1 1 55 55 LEU HA H 55 4.298 4.298 4.503 -0.205 18657 6804 1 19 . 1 1 55 55 LEU C C 55 174.234 174.234 175.575 -1.341 18657 6805 1 19 . 1 1 55 55 LEU CA C 55 55.132 55.132 53.999 1.133 18657 6806 1 19 . 1 1 55 55 LEU CB C 55 42.317 42.317 43.767 -1.450 18657 6807 1 19 . 1 1 55 55 LEU H H 55 9.006 9.006 8.904 0.102 18657 6808 1 19 . 1 1 56 56 MET N N 56 126.627 126.627 122.993 3.634 18657 6809 1 19 . 1 1 56 56 MET HA H 56 5.043 5.043 4.890 0.153 18657 6810 1 19 . 1 1 56 56 MET CA C 56 51.058 51.058 52.355 -1.297 18657 6811 1 19 . 1 1 56 56 MET CB C 56 31.593 31.593 32.892 -1.299 18657 6812 1 19 . 1 1 56 56 MET H H 56 8.028 8.028 8.506 -0.478 18657 6813 1 19 . 1 1 57 57 PRO HA H 57 3.695 3.695 3.462 0.233 18657 6814 1 19 . 1 1 57 57 PRO C C 57 176.780 176.780 176.170 0.610 18657 6815 1 19 . 1 1 57 57 PRO CA C 57 66.142 66.142 64.231 1.911 18657 6816 1 19 . 1 1 57 57 PRO CB C 57 32.795 32.795 31.258 1.537 18657 6817 1 19 . 1 1 58 58 ASP N N 58 110.360 110.360 113.925 -3.565 18657 6818 1 19 . 1 1 58 58 ASP HA H 58 4.436 4.436 4.604 -0.168 18657 6819 1 19 . 1 1 58 58 ASP C C 58 176.945 176.945 175.953 0.992 18657 6820 1 19 . 1 1 58 58 ASP CA C 58 54.660 54.660 54.528 0.132 18657 6821 1 19 . 1 1 58 58 ASP CB C 58 39.716 39.716 40.145 -0.429 18657 6822 1 19 . 1 1 58 58 ASP H H 58 8.036 8.036 8.588 -0.552 18657 6823 1 19 . 1 1 59 59 MET N N 59 116.951 116.951 118.230 -1.279 18657 6824 1 19 . 1 1 59 59 MET HA H 59 4.642 4.642 4.799 -0.157 18657 6825 1 19 . 1 1 59 59 MET C C 59 174.817 174.817 174.547 0.270 18657 6826 1 19 . 1 1 59 59 MET CA C 59 56.757 56.757 55.580 1.177 18657 6827 1 19 . 1 1 59 59 MET CB C 59 33.587 33.587 34.465 -0.877 18657 6828 1 19 . 1 1 59 59 MET H H 59 8.066 8.066 7.343 0.723 18657 6829 1 19 . 1 1 60 60 VAL N N 60 117.470 117.470 120.177 -2.707 18657 6830 1 19 . 1 1 60 60 VAL HA H 60 4.351 4.351 4.501 -0.150 18657 6831 1 19 . 1 1 60 60 VAL C C 60 176.067 176.067 175.560 0.507 18657 6832 1 19 . 1 1 60 60 VAL CA C 60 61.229 61.229 59.633 1.596 18657 6833 1 19 . 1 1 60 60 VAL CB C 60 33.146 33.146 34.193 -1.047 18657 6834 1 19 . 1 1 60 60 VAL H H 60 7.109 7.109 7.232 -0.123 18657 6835 1 19 . 1 1 61 61 LYS N N 61 128.839 128.839 128.092 0.747 18657 6836 1 19 . 1 1 61 61 LYS HA H 61 4.122 4.122 4.452 -0.330 18657 6837 1 19 . 1 1 61 61 LYS C C 61 177.652 177.652 176.977 0.675 18657 6838 1 19 . 1 1 61 61 LYS CA C 61 58.146 58.146 55.921 2.225 18657 6839 1 19 . 1 1 61 61 LYS CB C 61 32.336 32.336 32.599 -0.263 18657 6840 1 19 . 1 1 61 61 LYS H H 61 9.069 9.069 8.312 0.757 18657 6841 1 19 . 1 1 62 62 GLY N N 62 113.363 113.363 109.228 4.135 18657 6842 1 19 . 1 1 62 62 GLY C C 62 174.621 174.621 174.500 0.121 18657 6843 1 19 . 1 1 62 62 GLY CA C 62 45.506 45.506 46.266 -0.760 18657 6844 1 19 . 1 1 62 62 GLY H H 62 9.094 9.094 8.669 0.425 18657 6845 1 19 . 1 1 63 63 TYR N N 63 120.959 120.959 119.500 1.459 18657 6846 1 19 . 1 1 63 63 TYR HA H 63 3.971 3.971 4.479 -0.508 18657 6847 1 19 . 1 1 63 63 TYR C C 63 174.228 174.228 174.746 -0.518 18657 6848 1 19 . 1 1 63 63 TYR CA C 63 60.374 60.374 58.245 2.129 18657 6849 1 19 . 1 1 63 63 TYR CB C 63 39.040 39.040 39.898 -0.858 18657 6850 1 19 . 1 1 63 63 TYR H H 63 7.564 7.564 7.412 0.152 18657 6851 1 19 . 1 1 64 64 ALA N N 64 129.533 129.533 122.951 6.582 18657 6852 1 19 . 1 1 64 64 ALA HA H 64 4.425 4.425 4.541 -0.116 18657 6853 1 19 . 1 1 64 64 ALA CA C 64 49.480 49.480 50.827 -1.347 18657 6854 1 19 . 1 1 64 64 ALA CB C 64 19.620 19.620 19.143 0.477 18657 6855 1 19 . 1 1 64 64 ALA H H 64 7.546 7.546 6.686 0.860 18657 6856 1 19 . 1 1 65 65 PRO HA H 65 4.250 4.250 4.511 -0.261 18657 6857 1 19 . 1 1 65 65 PRO C C 65 175.380 175.380 176.911 -1.531 18657 6858 1 19 . 1 1 65 65 PRO CA C 65 62.712 62.712 62.300 0.412 18657 6859 1 19 . 1 1 65 65 PRO CB C 65 32.210 32.210 32.399 -0.189 18657 6860 1 20 . 1 1 1 1 ASN HA H 1 4.703 4.703 4.887 -0.184 18657 6861 1 20 . 1 1 1 1 ASN C C 1 174.258 174.258 174.211 0.047 18657 6862 1 20 . 1 1 1 1 ASN CA C 1 53.192 53.192 53.265 -0.073 18657 6863 1 20 . 1 1 1 1 ASN CB C 1 38.954 38.954 39.618 -0.664 18657 6864 1 20 . 1 1 2 2 GLN N N 2 120.041 120.041 123.534 -3.493 18657 6865 1 20 . 1 1 2 2 GLN HA H 2 4.323 4.323 4.190 0.133 18657 6866 1 20 . 1 1 2 2 GLN C C 2 176.004 176.004 175.337 0.667 18657 6867 1 20 . 1 1 2 2 GLN CA C 2 55.835 55.835 55.980 -0.145 18657 6868 1 20 . 1 1 2 2 GLN CB C 2 29.640 29.640 29.184 0.456 18657 6869 1 20 . 1 1 2 2 GLN H H 2 8.597 8.597 8.545 0.052 18657 6870 1 20 . 1 1 3 3 GLU N N 3 124.166 124.166 126.766 -2.600 18657 6871 1 20 . 1 1 3 3 GLU HA H 3 4.294 4.294 4.539 -0.245 18657 6872 1 20 . 1 1 3 3 GLU C C 3 177.305 177.305 175.352 1.953 18657 6873 1 20 . 1 1 3 3 GLU CA C 3 56.597 56.597 55.412 1.185 18657 6874 1 20 . 1 1 3 3 GLU CB C 3 32.196 32.196 31.408 0.788 18657 6875 1 20 . 1 1 3 3 GLU H H 3 9.025 9.025 8.719 0.306 18657 6876 1 20 . 1 1 4 4 SER N N 4 118.222 118.222 120.278 -2.056 18657 6877 1 20 . 1 1 4 4 SER HA H 4 5.412 5.412 5.093 0.319 18657 6878 1 20 . 1 1 4 4 SER C C 4 171.713 171.713 174.107 -2.394 18657 6879 1 20 . 1 1 4 4 SER CA C 4 57.271 57.271 57.819 -0.548 18657 6880 1 20 . 1 1 4 4 SER CB C 4 66.319 66.319 65.194 1.125 18657 6881 1 20 . 1 1 4 4 SER H H 4 8.925 8.925 8.189 0.736 18657 6882 1 20 . 1 1 5 5 VAL N N 5 122.304 122.304 123.902 -1.598 18657 6883 1 20 . 1 1 5 5 VAL HA H 5 4.156 4.156 4.275 -0.119 18657 6884 1 20 . 1 1 5 5 VAL C C 5 174.325 174.325 175.639 -1.314 18657 6885 1 20 . 1 1 5 5 VAL CA C 5 63.408 63.408 63.832 -0.424 18657 6886 1 20 . 1 1 5 5 VAL CB C 5 31.916 31.916 32.105 -0.189 18657 6887 1 20 . 1 1 5 5 VAL H H 5 8.506 8.506 8.749 -0.243 18657 6888 1 20 . 1 1 6 6 VAL N N 6 126.068 126.068 125.932 0.136 18657 6889 1 20 . 1 1 6 6 VAL HA H 6 4.512 4.512 4.301 0.211 18657 6890 1 20 . 1 1 6 6 VAL C C 6 174.958 174.958 174.919 0.039 18657 6891 1 20 . 1 1 6 6 VAL CA C 6 59.365 59.365 60.234 -0.869 18657 6892 1 20 . 1 1 6 6 VAL CB C 6 36.189 36.189 35.395 0.793 18657 6893 1 20 . 1 1 6 6 VAL H H 6 8.637 8.637 7.726 0.911 18657 6894 1 20 . 1 1 7 7 ALA N N 7 126.887 126.887 129.118 -2.231 18657 6895 1 20 . 1 1 7 7 ALA HA H 7 4.441 4.441 4.295 0.146 18657 6896 1 20 . 1 1 7 7 ALA C C 7 178.642 178.642 177.888 0.754 18657 6897 1 20 . 1 1 7 7 ALA CA C 7 53.079 53.079 52.623 0.456 18657 6898 1 20 . 1 1 7 7 ALA CB C 7 19.055 19.055 18.696 0.359 18657 6899 1 20 . 1 1 7 7 ALA H H 7 8.318 8.318 8.259 0.059 18657 6900 1 20 . 1 1 8 8 ALA N N 8 129.962 129.962 127.756 2.206 18657 6901 1 20 . 1 1 8 8 ALA HA H 8 4.162 4.162 4.118 0.044 18657 6902 1 20 . 1 1 8 8 ALA C C 8 174.975 174.975 177.069 -2.094 18657 6903 1 20 . 1 1 8 8 ALA CA C 8 52.229 52.229 53.921 -1.692 18657 6904 1 20 . 1 1 8 8 ALA CB C 8 19.350 19.350 19.282 0.068 18657 6905 1 20 . 1 1 8 8 ALA H H 8 9.248 9.248 8.220 1.028 18657 6906 1 20 . 1 1 9 9 GLN N N 9 111.285 111.285 112.505 -1.220 18657 6907 1 20 . 1 1 9 9 GLN HA H 9 4.510 4.510 4.405 0.105 18657 6908 1 20 . 1 1 9 9 GLN C C 9 172.373 172.373 174.262 -1.889 18657 6909 1 20 . 1 1 9 9 GLN CA C 9 52.613 52.613 53.679 -1.066 18657 6910 1 20 . 1 1 9 9 GLN CB C 9 32.673 32.673 30.637 2.037 18657 6911 1 20 . 1 1 9 9 GLN H H 9 7.709 7.709 7.458 0.251 18657 6912 1 20 . 1 1 10 10 LEU N N 10 120.553 120.553 122.246 -1.693 18657 6913 1 20 . 1 1 10 10 LEU HA H 10 4.541 4.541 4.281 0.260 18657 6914 1 20 . 1 1 10 10 LEU C C 10 177.120 177.120 175.551 1.569 18657 6915 1 20 . 1 1 10 10 LEU CA C 10 56.329 56.329 56.081 0.248 18657 6916 1 20 . 1 1 10 10 LEU CB C 10 41.176 41.176 42.099 -0.923 18657 6917 1 20 . 1 1 10 10 LEU H H 10 8.501 8.501 8.491 0.010 18657 6918 1 20 . 1 1 11 11 ILE N N 11 132.775 132.775 128.670 4.105 18657 6919 1 20 . 1 1 11 11 ILE HA H 11 4.604 4.604 4.609 -0.005 18657 6920 1 20 . 1 1 11 11 ILE CA C 11 59.247 59.247 57.739 1.508 18657 6921 1 20 . 1 1 11 11 ILE CB C 11 39.630 39.630 40.395 -0.765 18657 6922 1 20 . 1 1 11 11 ILE H H 11 9.329 9.329 8.944 0.385 18657 6923 1 20 . 1 1 12 12 PRO HA H 12 4.392 4.392 4.444 -0.052 18657 6924 1 20 . 1 1 12 12 PRO C C 12 176.644 176.644 176.245 0.399 18657 6925 1 20 . 1 1 12 12 PRO CA C 12 61.904 61.904 61.732 0.172 18657 6926 1 20 . 1 1 12 12 PRO CB C 12 32.576 32.576 32.209 0.367 18657 6927 1 20 . 1 1 13 13 ILE N N 13 121.774 121.774 119.295 2.479 18657 6928 1 20 . 1 1 13 13 ILE HA H 13 3.380 3.380 3.681 -0.301 18657 6929 1 20 . 1 1 13 13 ILE C C 13 173.621 173.621 176.679 -3.058 18657 6930 1 20 . 1 1 13 13 ILE CA C 13 63.705 63.705 62.291 1.414 18657 6931 1 20 . 1 1 13 13 ILE CB C 13 38.836 38.836 38.900 -0.064 18657 6932 1 20 . 1 1 13 13 ILE H H 13 7.938 7.938 8.067 -0.129 18657 6933 1 20 . 1 1 14 14 ASN N N 14 117.013 117.013 123.187 -6.174 18657 6934 1 20 . 1 1 14 14 ASN HA H 14 4.565 4.565 4.431 0.134 18657 6935 1 20 . 1 1 14 14 ASN C C 14 173.943 173.943 173.833 0.110 18657 6936 1 20 . 1 1 14 14 ASN CA C 14 55.344 55.344 55.027 0.317 18657 6937 1 20 . 1 1 14 14 ASN CB C 14 37.014 37.014 37.467 -0.453 18657 6938 1 20 . 1 1 14 14 ASN H H 14 7.240 7.240 9.130 -1.890 18657 6939 1 20 . 1 1 15 15 THR N N 15 116.580 116.580 115.767 0.813 18657 6940 1 20 . 1 1 15 15 THR HA H 15 3.966 3.966 4.433 -0.467 18657 6941 1 20 . 1 1 15 15 THR C C 15 172.956 172.956 173.599 -0.643 18657 6942 1 20 . 1 1 15 15 THR CA C 15 64.332 64.332 61.218 3.114 18657 6943 1 20 . 1 1 15 15 THR CB C 15 69.532 69.532 69.388 0.144 18657 6944 1 20 . 1 1 15 15 THR H H 15 7.313 7.313 7.425 -0.112 18657 6945 1 20 . 1 1 16 16 ALA N N 16 128.035 128.035 130.988 -2.953 18657 6946 1 20 . 1 1 16 16 ALA HA H 16 4.246 4.246 4.212 0.034 18657 6947 1 20 . 1 1 16 16 ALA C C 16 176.643 176.643 177.097 -0.454 18657 6948 1 20 . 1 1 16 16 ALA CA C 16 50.750 50.750 52.160 -1.411 18657 6949 1 20 . 1 1 16 16 ALA CB C 16 18.653 18.653 18.567 0.086 18657 6950 1 20 . 1 1 16 16 ALA H H 16 8.545 8.545 8.707 -0.162 18657 6951 1 20 . 1 1 17 17 LEU N N 17 125.094 125.094 126.848 -1.754 18657 6952 1 20 . 1 1 17 17 LEU HA H 17 4.505 4.505 4.280 0.225 18657 6953 1 20 . 1 1 17 17 LEU C C 17 178.848 178.848 177.169 1.679 18657 6954 1 20 . 1 1 17 17 LEU CA C 17 56.127 56.127 55.646 0.481 18657 6955 1 20 . 1 1 17 17 LEU CB C 17 42.573 42.573 42.569 0.004 18657 6956 1 20 . 1 1 17 17 LEU H H 17 9.114 9.114 8.413 0.701 18657 6957 1 20 . 1 1 18 18 THR N N 18 113.568 113.568 111.913 1.655 18657 6958 1 20 . 1 1 18 18 THR HA H 18 4.623 4.623 4.560 0.063 18657 6959 1 20 . 1 1 18 18 THR C C 18 175.028 175.028 175.081 -0.053 18657 6960 1 20 . 1 1 18 18 THR CA C 18 58.935 58.935 60.152 -1.217 18657 6961 1 20 . 1 1 18 18 THR CB C 18 71.185 71.185 70.909 0.276 18657 6962 1 20 . 1 1 18 18 THR H H 18 7.980 7.980 8.069 -0.089 18657 6963 1 20 . 1 1 19 19 LEU N N 19 121.118 121.118 121.667 -0.549 18657 6964 1 20 . 1 1 19 19 LEU HA H 19 3.817 3.817 4.290 -0.473 18657 6965 1 20 . 1 1 19 19 LEU C C 19 179.309 179.309 176.541 2.768 18657 6966 1 20 . 1 1 19 19 LEU CA C 19 58.710 58.710 56.670 2.040 18657 6967 1 20 . 1 1 19 19 LEU CB C 19 42.213 42.213 41.781 0.432 18657 6968 1 20 . 1 1 19 19 LEU H H 19 8.882 8.882 8.544 0.338 18657 6969 1 20 . 1 1 20 20 VAL N N 20 110.454 110.454 110.828 -0.374 18657 6970 1 20 . 1 1 20 20 VAL HA H 20 4.021 4.021 4.111 -0.090 18657 6971 1 20 . 1 1 20 20 VAL C C 20 176.778 176.778 175.699 1.079 18657 6972 1 20 . 1 1 20 20 VAL CA C 20 63.377 63.377 62.986 0.391 18657 6973 1 20 . 1 1 20 20 VAL CB C 20 31.558 31.558 31.680 -0.122 18657 6974 1 20 . 1 1 20 20 VAL H H 20 7.528 7.528 7.746 -0.218 18657 6975 1 20 . 1 1 21 21 MET N N 21 116.848 116.848 117.800 -0.952 18657 6976 1 20 . 1 1 21 21 MET HA H 21 3.940 3.940 4.606 -0.666 18657 6977 1 20 . 1 1 21 21 MET C C 21 175.514 175.514 175.167 0.347 18657 6978 1 20 . 1 1 21 21 MET CA C 21 57.965 57.965 55.780 2.185 18657 6979 1 20 . 1 1 21 21 MET CB C 21 32.889 32.889 34.925 -2.036 18657 6980 1 20 . 1 1 21 21 MET H H 21 7.518 7.518 8.042 -0.524 18657 6981 1 20 . 1 1 22 22 MET N N 22 116.986 116.986 117.461 -0.475 18657 6982 1 20 . 1 1 22 22 MET HA H 22 4.893 4.893 4.885 0.008 18657 6983 1 20 . 1 1 22 22 MET C C 22 173.981 173.981 174.705 -0.724 18657 6984 1 20 . 1 1 22 22 MET CA C 22 55.373 55.373 54.767 0.606 18657 6985 1 20 . 1 1 22 22 MET CB C 22 37.383 37.383 37.191 0.192 18657 6986 1 20 . 1 1 22 22 MET H H 22 7.709 7.709 7.462 0.247 18657 6987 1 20 . 1 1 23 23 THR N N 23 118.163 118.163 113.463 4.700 18657 6988 1 20 . 1 1 23 23 THR HA H 23 4.788 4.788 4.596 0.192 18657 6989 1 20 . 1 1 23 23 THR C C 23 172.307 172.307 172.416 -0.109 18657 6990 1 20 . 1 1 23 23 THR CA C 23 58.678 58.678 60.643 -1.965 18657 6991 1 20 . 1 1 23 23 THR CB C 23 69.836 69.836 70.014 -0.178 18657 6992 1 20 . 1 1 23 23 THR H H 23 9.041 9.041 8.200 0.841 18657 6993 1 20 . 1 1 24 24 THR N N 24 111.374 111.374 112.666 -1.292 18657 6994 1 20 . 1 1 24 24 THR HA H 24 5.691 5.691 5.074 0.617 18657 6995 1 20 . 1 1 24 24 THR C C 24 174.035 174.035 173.374 0.661 18657 6996 1 20 . 1 1 24 24 THR CA C 24 58.843 58.843 60.300 -1.457 18657 6997 1 20 . 1 1 24 24 THR CB C 24 71.456 71.456 71.325 0.131 18657 6998 1 20 . 1 1 24 24 THR H H 24 8.139 8.139 8.237 -0.098 18657 6999 1 20 . 1 1 25 25 ARG N N 25 119.402 119.402 122.576 -3.174 18657 7000 1 20 . 1 1 25 25 ARG HA H 25 4.575 4.575 4.396 0.179 18657 7001 1 20 . 1 1 25 25 ARG C C 25 174.979 174.979 173.657 1.322 18657 7002 1 20 . 1 1 25 25 ARG CA C 25 55.085 55.085 55.546 -0.461 18657 7003 1 20 . 1 1 25 25 ARG CB C 25 35.806 35.806 33.471 2.335 18657 7004 1 20 . 1 1 25 25 ARG H H 25 8.626 8.626 8.293 0.333 18657 7005 1 20 . 1 1 26 26 VAL N N 26 124.668 124.668 124.916 -0.248 18657 7006 1 20 . 1 1 26 26 VAL HA H 26 4.132 4.132 4.065 0.067 18657 7007 1 20 . 1 1 26 26 VAL C C 26 174.893 174.893 176.281 -1.388 18657 7008 1 20 . 1 1 26 26 VAL CA C 26 64.085 64.085 62.523 1.562 18657 7009 1 20 . 1 1 26 26 VAL CB C 26 30.450 30.450 30.117 0.333 18657 7010 1 20 . 1 1 26 26 VAL H H 26 9.050 9.050 8.379 0.671 18657 7011 1 20 . 1 1 27 27 VAL N N 27 123.136 123.136 122.011 1.125 18657 7012 1 20 . 1 1 27 27 VAL HA H 27 4.649 4.649 4.608 0.041 18657 7013 1 20 . 1 1 27 27 VAL C C 27 174.747 174.747 174.008 0.739 18657 7014 1 20 . 1 1 27 27 VAL CA C 27 59.232 59.232 59.443 -0.211 18657 7015 1 20 . 1 1 27 27 VAL CB C 27 36.205 36.205 35.119 1.086 18657 7016 1 20 . 1 1 27 27 VAL H H 27 8.266 8.266 7.830 0.436 18657 7017 1 20 . 1 1 28 28 SER N N 28 116.564 116.564 116.553 0.011 18657 7018 1 20 . 1 1 28 28 SER HA H 28 4.535 4.535 4.950 -0.415 18657 7019 1 20 . 1 1 28 28 SER CA C 28 54.880 54.880 55.950 -1.071 18657 7020 1 20 . 1 1 28 28 SER CB C 28 64.922 64.922 64.882 0.040 18657 7021 1 20 . 1 1 28 28 SER H H 28 8.302 8.302 8.285 0.017 18657 7022 1 20 . 1 1 29 29 PRO HA H 29 4.774 4.774 4.716 0.058 18657 7023 1 20 . 1 1 29 29 PRO C C 29 176.324 176.324 175.803 0.521 18657 7024 1 20 . 1 1 29 29 PRO CA C 29 62.543 62.543 62.444 0.099 18657 7025 1 20 . 1 1 29 29 PRO CB C 29 34.561 34.561 32.684 1.877 18657 7026 1 20 . 1 1 30 30 THR N N 30 113.418 113.418 112.060 1.358 18657 7027 1 20 . 1 1 30 30 THR HA H 30 3.830 3.830 4.336 -0.506 18657 7028 1 20 . 1 1 30 30 THR C C 30 174.556 174.556 174.124 0.432 18657 7029 1 20 . 1 1 30 30 THR CA C 30 62.846 62.846 61.795 1.051 18657 7030 1 20 . 1 1 30 30 THR CB C 30 69.384 69.384 69.709 -0.325 18657 7031 1 20 . 1 1 30 30 THR H H 30 8.492 8.492 8.211 0.281 18657 7032 1 20 . 1 1 31 31 GLY N N 31 109.224 109.224 109.566 -0.342 18657 7033 1 20 . 1 1 31 31 GLY C C 31 174.722 174.722 173.452 1.270 18657 7034 1 20 . 1 1 31 31 GLY CA C 31 44.844 44.844 43.492 1.352 18657 7035 1 20 . 1 1 31 31 GLY H H 31 8.054 8.054 8.086 -0.032 18657 7036 1 20 . 1 1 32 32 ILE N N 32 128.549 128.549 122.671 5.878 18657 7037 1 20 . 1 1 32 32 ILE HA H 32 3.959 3.959 4.029 -0.070 18657 7038 1 20 . 1 1 32 32 ILE CA C 32 61.251 61.251 62.018 -0.767 18657 7039 1 20 . 1 1 32 32 ILE CB C 32 39.665 39.665 37.574 2.091 18657 7040 1 20 . 1 1 32 32 ILE H H 32 8.820 8.820 8.244 0.576 18657 7041 1 20 . 1 1 33 33 PRO HA H 33 4.777 4.777 4.585 0.192 18657 7042 1 20 . 1 1 33 33 PRO C C 33 177.878 177.878 177.283 0.595 18657 7043 1 20 . 1 1 33 33 PRO CA C 33 63.110 63.110 62.450 0.660 18657 7044 1 20 . 1 1 33 33 PRO CB C 33 32.793 32.793 32.144 0.649 18657 7045 1 20 . 1 1 34 34 ALA N N 34 123.151 123.151 125.719 -2.568 18657 7046 1 20 . 1 1 34 34 ALA HA H 34 3.722 3.722 4.080 -0.358 18657 7047 1 20 . 1 1 34 34 ALA C C 34 179.547 179.547 179.645 -0.098 18657 7048 1 20 . 1 1 34 34 ALA CA C 34 54.835 54.835 54.708 0.127 18657 7049 1 20 . 1 1 34 34 ALA CB C 34 19.974 19.974 18.725 1.249 18657 7050 1 20 . 1 1 34 34 ALA H H 34 7.973 7.973 8.709 -0.736 18657 7051 1 20 . 1 1 35 35 GLU N N 35 116.421 116.421 117.322 -0.901 18657 7052 1 20 . 1 1 35 35 GLU HA H 35 4.022 4.022 4.124 -0.102 18657 7053 1 20 . 1 1 35 35 GLU C C 35 176.479 176.479 176.418 0.061 18657 7054 1 20 . 1 1 35 35 GLU CA C 35 58.966 58.966 58.167 0.799 18657 7055 1 20 . 1 1 35 35 GLU CB C 35 28.642 28.642 29.098 -0.456 18657 7056 1 20 . 1 1 35 35 GLU H H 35 9.247 9.247 8.613 0.634 18657 7057 1 20 . 1 1 36 36 ASP N N 36 118.097 118.097 118.822 -0.725 18657 7058 1 20 . 1 1 36 36 ASP HA H 36 4.955 4.955 4.871 0.084 18657 7059 1 20 . 1 1 36 36 ASP C C 36 176.823 176.823 176.720 0.103 18657 7060 1 20 . 1 1 36 36 ASP CA C 36 54.568 54.568 53.773 0.795 18657 7061 1 20 . 1 1 36 36 ASP CB C 36 40.971 40.971 40.425 0.546 18657 7062 1 20 . 1 1 36 36 ASP H H 36 8.146 8.146 8.279 -0.133 18657 7063 1 20 . 1 1 37 37 ILE N N 37 121.429 121.429 122.727 -1.298 18657 7064 1 20 . 1 1 37 37 ILE HA H 37 3.636 3.636 3.936 -0.300 18657 7065 1 20 . 1 1 37 37 ILE CA C 37 68.859 68.859 67.570 1.289 18657 7066 1 20 . 1 1 37 37 ILE CB C 37 35.859 35.859 36.340 -0.481 18657 7067 1 20 . 1 1 37 37 ILE H H 37 7.520 7.520 7.945 -0.425 18657 7068 1 20 . 1 1 38 38 PRO HA H 38 4.183 4.183 4.389 -0.206 18657 7069 1 20 . 1 1 38 38 PRO C C 38 179.052 179.052 177.301 1.751 18657 7070 1 20 . 1 1 38 38 PRO CA C 38 65.906 65.906 64.341 1.565 18657 7071 1 20 . 1 1 38 38 PRO CB C 38 31.030 31.030 30.967 0.063 18657 7072 1 20 . 1 1 39 39 ARG N N 39 115.064 115.064 117.303 -2.239 18657 7073 1 20 . 1 1 39 39 ARG HA H 39 4.237 4.237 4.270 -0.033 18657 7074 1 20 . 1 1 39 39 ARG C C 39 176.002 176.002 177.925 -1.923 18657 7075 1 20 . 1 1 39 39 ARG CA C 39 57.362 57.362 57.982 -0.620 18657 7076 1 20 . 1 1 39 39 ARG CB C 39 30.510 30.510 30.604 -0.094 18657 7077 1 20 . 1 1 39 39 ARG H H 39 7.367 7.367 7.930 -0.563 18657 7078 1 20 . 1 1 40 40 LEU N N 40 118.158 118.158 118.152 0.006 18657 7079 1 20 . 1 1 40 40 LEU HA H 40 4.080 4.080 4.393 -0.313 18657 7080 1 20 . 1 1 40 40 LEU C C 40 177.804 177.804 177.071 0.733 18657 7081 1 20 . 1 1 40 40 LEU CA C 40 55.770 55.770 55.391 0.379 18657 7082 1 20 . 1 1 40 40 LEU CB C 40 42.782 42.782 42.053 0.729 18657 7083 1 20 . 1 1 40 40 LEU H H 40 7.782 7.782 8.295 -0.513 18657 7084 1 20 . 1 1 41 41 ILE N N 41 115.608 115.608 118.330 -2.722 18657 7085 1 20 . 1 1 41 41 ILE HA H 41 3.345 3.345 3.749 -0.404 18657 7086 1 20 . 1 1 41 41 ILE C C 41 178.078 178.078 175.975 2.103 18657 7087 1 20 . 1 1 41 41 ILE CA C 41 62.606 62.606 63.550 -0.944 18657 7088 1 20 . 1 1 41 41 ILE CB C 41 36.606 36.606 36.617 -0.011 18657 7089 1 20 . 1 1 41 41 ILE H H 41 6.799 6.799 7.532 -0.733 18657 7090 1 20 . 1 1 42 42 SER N N 42 121.395 121.395 116.189 5.206 18657 7091 1 20 . 1 1 42 42 SER HA H 42 3.991 3.991 4.075 -0.084 18657 7092 1 20 . 1 1 42 42 SER C C 42 173.816 173.816 173.828 -0.012 18657 7093 1 20 . 1 1 42 42 SER CA C 42 62.348 62.348 59.912 2.436 18657 7094 1 20 . 1 1 42 42 SER CB C 42 62.947 62.947 62.880 0.067 18657 7095 1 20 . 1 1 42 42 SER H H 42 9.328 9.328 8.899 0.429 18657 7096 1 20 . 1 1 43 43 MET N N 43 123.672 123.672 121.515 2.157 18657 7097 1 20 . 1 1 43 43 MET HA H 43 4.449 4.449 4.636 -0.187 18657 7098 1 20 . 1 1 43 43 MET C C 43 175.128 175.128 175.980 -0.852 18657 7099 1 20 . 1 1 43 43 MET CA C 43 57.119 57.119 55.005 2.114 18657 7100 1 20 . 1 1 43 43 MET CB C 43 32.831 32.831 33.404 -0.573 18657 7101 1 20 . 1 1 43 43 MET H H 43 8.806 8.806 8.034 0.772 18657 7102 1 20 . 1 1 44 44 GLN N N 44 118.463 118.463 123.349 -4.886 18657 7103 1 20 . 1 1 44 44 GLN HA H 44 5.256 5.256 4.666 0.590 18657 7104 1 20 . 1 1 44 44 GLN C C 44 177.035 177.035 175.698 1.337 18657 7105 1 20 . 1 1 44 44 GLN CA C 44 54.304 54.304 55.469 -1.165 18657 7106 1 20 . 1 1 44 44 GLN CB C 44 32.083 32.083 29.820 2.263 18657 7107 1 20 . 1 1 44 44 GLN H H 44 8.947 8.947 8.753 0.194 18657 7108 1 20 . 1 1 45 45 VAL N N 45 111.238 111.238 113.956 -2.718 18657 7109 1 20 . 1 1 45 45 VAL HA H 45 5.297 5.297 4.610 0.687 18657 7110 1 20 . 1 1 45 45 VAL C C 45 177.962 177.962 175.287 2.675 18657 7111 1 20 . 1 1 45 45 VAL CA C 45 59.950 59.950 59.014 0.936 18657 7112 1 20 . 1 1 45 45 VAL CB C 45 33.437 33.437 34.045 -0.608 18657 7113 1 20 . 1 1 45 45 VAL H H 45 7.564 7.564 8.034 -0.470 18657 7114 1 20 . 1 1 46 46 ASN N N 46 118.782 118.782 121.175 -2.393 18657 7115 1 20 . 1 1 46 46 ASN HA H 46 4.716 4.716 4.677 0.039 18657 7116 1 20 . 1 1 46 46 ASN C C 46 174.812 174.812 174.377 0.435 18657 7117 1 20 . 1 1 46 46 ASN CA C 46 51.680 51.680 52.852 -1.172 18657 7118 1 20 . 1 1 46 46 ASN CB C 46 39.469 39.469 38.400 1.069 18657 7119 1 20 . 1 1 46 46 ASN H H 46 8.556 8.556 8.205 0.351 18657 7120 1 20 . 1 1 47 47 GLN N N 47 112.810 112.810 116.628 -3.818 18657 7121 1 20 . 1 1 47 47 GLN HA H 47 4.549 4.549 4.256 0.293 18657 7122 1 20 . 1 1 47 47 GLN C C 47 172.365 172.365 173.898 -1.533 18657 7123 1 20 . 1 1 47 47 GLN CA C 47 53.013 53.013 54.994 -1.981 18657 7124 1 20 . 1 1 47 47 GLN CB C 47 32.841 32.841 31.979 0.862 18657 7125 1 20 . 1 1 47 47 GLN H H 47 7.663 7.663 7.580 0.083 18657 7126 1 20 . 1 1 48 48 VAL N N 48 118.841 118.841 124.210 -5.369 18657 7127 1 20 . 1 1 48 48 VAL HA H 48 4.184 4.184 3.952 0.232 18657 7128 1 20 . 1 1 48 48 VAL C C 48 176.865 176.865 175.609 1.256 18657 7129 1 20 . 1 1 48 48 VAL CA C 48 62.932 62.932 63.773 -0.841 18657 7130 1 20 . 1 1 48 48 VAL CB C 48 31.788 31.788 31.592 0.196 18657 7131 1 20 . 1 1 48 48 VAL H H 48 8.407 8.407 8.485 -0.078 18657 7132 1 20 . 1 1 49 49 VAL N N 49 130.600 130.600 128.968 1.632 18657 7133 1 20 . 1 1 49 49 VAL HA H 49 4.547 4.547 4.539 0.008 18657 7134 1 20 . 1 1 49 49 VAL CA C 49 59.419 59.419 59.096 0.323 18657 7135 1 20 . 1 1 49 49 VAL CB C 49 33.236 33.236 33.436 -0.200 18657 7136 1 20 . 1 1 49 49 VAL H H 49 9.165 9.165 9.108 0.057 18657 7137 1 20 . 1 1 50 50 PRO HA H 50 4.227 4.227 4.482 -0.255 18657 7138 1 20 . 1 1 50 50 PRO C C 50 176.512 176.512 176.162 0.350 18657 7139 1 20 . 1 1 50 50 PRO CA C 50 62.220 62.220 61.591 0.629 18657 7140 1 20 . 1 1 50 50 PRO CB C 50 32.282 32.282 32.516 -0.234 18657 7141 1 20 . 1 1 51 51 MET N N 51 123.146 123.146 118.880 4.266 18657 7142 1 20 . 1 1 51 51 MET HA H 51 3.322 3.322 4.060 -0.738 18657 7143 1 20 . 1 1 51 51 MET C C 51 176.953 176.953 177.858 -0.905 18657 7144 1 20 . 1 1 51 51 MET CA C 51 58.534 58.534 57.636 0.898 18657 7145 1 20 . 1 1 51 51 MET CB C 51 32.593 32.593 33.115 -0.522 18657 7146 1 20 . 1 1 51 51 MET H H 51 8.598 8.598 8.285 0.313 18657 7147 1 20 . 1 1 52 52 GLY N N 52 114.707 114.707 113.481 1.226 18657 7148 1 20 . 1 1 52 52 GLY C C 52 173.693 173.693 174.512 -0.819 18657 7149 1 20 . 1 1 52 52 GLY CA C 52 45.046 45.046 45.739 -0.693 18657 7150 1 20 . 1 1 52 52 GLY H H 52 8.852 8.852 9.077 -0.225 18657 7151 1 20 . 1 1 53 53 THR N N 53 119.372 119.372 120.547 -1.175 18657 7152 1 20 . 1 1 53 53 THR HA H 53 4.143 4.143 4.345 -0.202 18657 7153 1 20 . 1 1 53 53 THR C C 53 173.482 173.482 174.524 -1.042 18657 7154 1 20 . 1 1 53 53 THR CA C 53 63.363 63.363 62.890 0.473 18657 7155 1 20 . 1 1 53 53 THR CB C 53 69.448 69.448 69.059 0.389 18657 7156 1 20 . 1 1 53 53 THR H H 53 7.706 7.706 7.674 0.032 18657 7157 1 20 . 1 1 54 54 THR N N 54 125.168 125.168 123.449 1.719 18657 7158 1 20 . 1 1 54 54 THR HA H 54 4.137 4.137 4.040 0.097 18657 7159 1 20 . 1 1 54 54 THR C C 54 173.018 173.018 174.071 -1.053 18657 7160 1 20 . 1 1 54 54 THR CA C 54 63.314 63.314 64.607 -1.293 18657 7161 1 20 . 1 1 54 54 THR CB C 54 68.846 68.846 69.338 -0.492 18657 7162 1 20 . 1 1 54 54 THR H H 54 8.914 8.914 8.691 0.223 18657 7163 1 20 . 1 1 55 55 LEU N N 55 131.166 131.166 126.549 4.617 18657 7164 1 20 . 1 1 55 55 LEU HA H 55 4.298 4.298 4.503 -0.205 18657 7165 1 20 . 1 1 55 55 LEU C C 55 174.234 174.234 175.549 -1.315 18657 7166 1 20 . 1 1 55 55 LEU CA C 55 55.132 55.132 53.671 1.461 18657 7167 1 20 . 1 1 55 55 LEU CB C 55 42.317 42.317 42.192 0.125 18657 7168 1 20 . 1 1 55 55 LEU H H 55 9.006 9.006 8.896 0.110 18657 7169 1 20 . 1 1 56 56 MET N N 56 126.627 126.627 124.291 2.336 18657 7170 1 20 . 1 1 56 56 MET HA H 56 5.043 5.043 4.880 0.163 18657 7171 1 20 . 1 1 56 56 MET CA C 56 51.058 51.058 52.445 -1.387 18657 7172 1 20 . 1 1 56 56 MET CB C 56 31.593 31.593 32.940 -1.347 18657 7173 1 20 . 1 1 56 56 MET H H 56 8.028 8.028 8.722 -0.694 18657 7174 1 20 . 1 1 57 57 PRO HA H 57 3.695 3.695 3.497 0.198 18657 7175 1 20 . 1 1 57 57 PRO C C 57 176.780 176.780 176.243 0.537 18657 7176 1 20 . 1 1 57 57 PRO CA C 57 66.142 66.142 64.232 1.910 18657 7177 1 20 . 1 1 57 57 PRO CB C 57 32.795 32.795 31.055 1.740 18657 7178 1 20 . 1 1 58 58 ASP N N 58 110.360 110.360 114.506 -4.146 18657 7179 1 20 . 1 1 58 58 ASP HA H 58 4.436 4.436 4.608 -0.172 18657 7180 1 20 . 1 1 58 58 ASP C C 58 176.945 176.945 176.221 0.724 18657 7181 1 20 . 1 1 58 58 ASP CA C 58 54.660 54.660 54.600 0.060 18657 7182 1 20 . 1 1 58 58 ASP CB C 58 39.716 39.716 40.268 -0.552 18657 7183 1 20 . 1 1 58 58 ASP H H 58 8.036 8.036 8.549 -0.513 18657 7184 1 20 . 1 1 59 59 MET N N 59 116.951 116.951 118.415 -1.464 18657 7185 1 20 . 1 1 59 59 MET HA H 59 4.642 4.642 4.869 -0.227 18657 7186 1 20 . 1 1 59 59 MET C C 59 174.817 174.817 174.562 0.255 18657 7187 1 20 . 1 1 59 59 MET CA C 59 56.757 56.757 55.301 1.456 18657 7188 1 20 . 1 1 59 59 MET CB C 59 33.587 33.587 34.207 -0.620 18657 7189 1 20 . 1 1 59 59 MET H H 59 8.066 8.066 7.243 0.823 18657 7190 1 20 . 1 1 60 60 VAL N N 60 117.470 117.470 119.757 -2.287 18657 7191 1 20 . 1 1 60 60 VAL HA H 60 4.351 4.351 4.411 -0.060 18657 7192 1 20 . 1 1 60 60 VAL C C 60 176.067 176.067 175.469 0.598 18657 7193 1 20 . 1 1 60 60 VAL CA C 60 61.229 61.229 59.465 1.764 18657 7194 1 20 . 1 1 60 60 VAL CB C 60 33.146 33.146 34.124 -0.978 18657 7195 1 20 . 1 1 60 60 VAL H H 60 7.109 7.109 7.286 -0.177 18657 7196 1 20 . 1 1 61 61 LYS N N 61 128.839 128.839 128.590 0.249 18657 7197 1 20 . 1 1 61 61 LYS HA H 61 4.122 4.122 4.413 -0.291 18657 7198 1 20 . 1 1 61 61 LYS C C 61 177.652 177.652 177.044 0.608 18657 7199 1 20 . 1 1 61 61 LYS CA C 61 58.146 58.146 56.230 1.915 18657 7200 1 20 . 1 1 61 61 LYS CB C 61 32.336 32.336 32.627 -0.291 18657 7201 1 20 . 1 1 61 61 LYS H H 61 9.069 9.069 8.151 0.918 18657 7202 1 20 . 1 1 62 62 GLY N N 62 113.363 113.363 109.100 4.263 18657 7203 1 20 . 1 1 62 62 GLY C C 62 174.621 174.621 174.475 0.146 18657 7204 1 20 . 1 1 62 62 GLY CA C 62 45.506 45.506 46.270 -0.764 18657 7205 1 20 . 1 1 62 62 GLY H H 62 9.094 9.094 8.675 0.419 18657 7206 1 20 . 1 1 63 63 TYR N N 63 120.959 120.959 119.428 1.531 18657 7207 1 20 . 1 1 63 63 TYR HA H 63 3.971 3.971 4.485 -0.514 18657 7208 1 20 . 1 1 63 63 TYR C C 63 174.228 174.228 174.695 -0.467 18657 7209 1 20 . 1 1 63 63 TYR CA C 63 60.374 60.374 58.234 2.140 18657 7210 1 20 . 1 1 63 63 TYR CB C 63 39.040 39.040 39.897 -0.857 18657 7211 1 20 . 1 1 63 63 TYR H H 63 7.564 7.564 7.372 0.192 18657 7212 1 20 . 1 1 64 64 ALA N N 64 129.533 129.533 122.846 6.687 18657 7213 1 20 . 1 1 64 64 ALA HA H 64 4.425 4.425 4.514 -0.089 18657 7214 1 20 . 1 1 64 64 ALA CA C 64 49.480 49.480 50.782 -1.302 18657 7215 1 20 . 1 1 64 64 ALA CB C 64 19.620 19.620 19.175 0.445 18657 7216 1 20 . 1 1 64 64 ALA H H 64 7.546 7.546 6.633 0.913 18657 7217 1 20 . 1 1 65 65 PRO HA H 65 4.250 4.250 4.504 -0.254 18657 7218 1 20 . 1 1 65 65 PRO C C 65 175.380 175.380 176.732 -1.352 18657 7219 1 20 . 1 1 65 65 PRO CA C 65 62.712 62.712 62.319 0.393 18657 7220 1 20 . 1 1 65 65 PRO CB C 65 32.210 32.210 32.458 -0.248 18657 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 57 2.885 0.297 2.895 18657 2 1 1 "Average Difference" HA 68 0.326 0.050 0.325 18657 3 1 1 "Average Difference" C 58 1.214 -0.093 1.221 18657 4 1 1 "Average Difference" CA 65 1.150 -0.219 1.138 18657 5 1 1 "Average Difference" CB 62 0.961 -0.102 0.964 18657 6 1 1 "Average Difference" HN 57 0.514 -0.089 0.511 18657 7 1 2 "Average Difference" N 57 2.811 0.255 2.824 18657 8 1 2 "Average Difference" HA 68 0.334 0.048 0.333 18657 9 1 2 "Average Difference" C 58 1.170 -0.105 1.175 18657 10 1 2 "Average Difference" CA 65 1.195 -0.266 1.174 18657 11 1 2 "Average Difference" CB 62 0.928 -0.132 0.926 18657 12 1 2 "Average Difference" HN 57 0.491 -0.098 0.485 18657 13 1 3 "Average Difference" N 57 2.911 0.158 2.933 18657 14 1 3 "Average Difference" HA 68 0.324 0.051 0.322 18657 15 1 3 "Average Difference" C 58 1.202 -0.099 1.208 18657 16 1 3 "Average Difference" CA 65 1.229 -0.247 1.214 18657 17 1 3 "Average Difference" CB 62 0.909 -0.089 0.912 18657 18 1 3 "Average Difference" HN 57 0.519 -0.101 0.514 18657 19 1 4 "Average Difference" N 57 2.800 0.210 2.817 18657 20 1 4 "Average Difference" HA 68 0.322 0.052 0.320 18657 21 1 4 "Average Difference" C 58 1.177 -0.117 1.182 18657 22 1 4 "Average Difference" CA 65 1.173 -0.260 1.153 18657 23 1 4 "Average Difference" CB 62 0.915 -0.068 0.920 18657 24 1 4 "Average Difference" HN 57 0.530 -0.092 0.526 18657 25 1 5 "Average Difference" N 57 2.802 0.233 2.817 18657 26 1 5 "Average Difference" HA 68 0.323 0.044 0.323 18657 27 1 5 "Average Difference" C 58 1.173 -0.090 1.179 18657 28 1 5 "Average Difference" CA 65 1.156 -0.240 1.139 18657 29 1 5 "Average Difference" CB 62 0.907 -0.128 0.905 18657 30 1 5 "Average Difference" HN 57 0.513 -0.086 0.511 18657 31 1 6 "Average Difference" N 57 2.952 0.318 2.961 18657 32 1 6 "Average Difference" HA 68 0.329 0.061 0.326 18657 33 1 6 "Average Difference" C 58 1.182 -0.079 1.189 18657 34 1 6 "Average Difference" CA 65 1.126 -0.271 1.102 18657 35 1 6 "Average Difference" CB 62 0.895 -0.133 0.892 18657 36 1 6 "Average Difference" HN 57 0.478 -0.060 0.478 18657 37 1 7 "Average Difference" N 57 2.826 0.161 2.846 18657 38 1 7 "Average Difference" HA 68 0.333 0.043 0.333 18657 39 1 7 "Average Difference" C 58 1.171 -0.119 1.175 18657 40 1 7 "Average Difference" CA 65 1.164 -0.258 1.144 18657 41 1 7 "Average Difference" CB 62 0.920 -0.217 0.901 18657 42 1 7 "Average Difference" HN 57 0.485 -0.098 0.479 18657 43 1 8 "Average Difference" N 57 2.814 0.278 2.825 18657 44 1 8 "Average Difference" HA 68 0.334 0.046 0.333 18657 45 1 8 "Average Difference" C 58 1.181 -0.133 1.184 18657 46 1 8 "Average Difference" CA 65 1.153 -0.241 1.136 18657 47 1 8 "Average Difference" CB 62 1.015 -0.100 1.018 18657 48 1 8 "Average Difference" HN 57 0.487 -0.090 0.483 18657 49 1 9 "Average Difference" N 57 2.869 0.279 2.881 18657 50 1 9 "Average Difference" HA 68 0.325 0.045 0.325 18657 51 1 9 "Average Difference" C 58 1.247 -0.089 1.254 18657 52 1 9 "Average Difference" CA 65 1.214 -0.269 1.194 18657 53 1 9 "Average Difference" CB 62 0.933 -0.123 0.932 18657 54 1 9 "Average Difference" HN 57 0.526 -0.098 0.521 18657 55 1 10 "Average Difference" N 57 2.968 0.285 2.980 18657 56 1 10 "Average Difference" HA 68 0.328 0.041 0.327 18657 57 1 10 "Average Difference" C 58 1.208 -0.055 1.217 18657 58 1 10 "Average Difference" CA 65 1.163 -0.162 1.160 18657 59 1 10 "Average Difference" CB 62 0.967 -0.116 0.967 18657 60 1 10 "Average Difference" HN 57 0.526 -0.071 0.526 18657 61 1 11 "Average Difference" N 57 2.927 0.374 2.929 18657 62 1 11 "Average Difference" HA 68 0.329 0.053 0.327 18657 63 1 11 "Average Difference" C 58 1.232 -0.102 1.238 18657 64 1 11 "Average Difference" CA 65 1.200 -0.293 1.172 18657 65 1 11 "Average Difference" CB 62 0.933 -0.130 0.932 18657 66 1 11 "Average Difference" HN 57 0.520 -0.092 0.516 18657 67 1 12 "Average Difference" N 57 3.096 0.160 3.119 18657 68 1 12 "Average Difference" HA 68 0.323 0.054 0.321 18657 69 1 12 "Average Difference" C 58 1.207 -0.084 1.214 18657 70 1 12 "Average Difference" CA 65 1.195 -0.252 1.177 18657 71 1 12 "Average Difference" CB 62 0.904 -0.193 0.890 18657 72 1 12 "Average Difference" HN 57 0.516 -0.080 0.514 18657 73 1 13 "Average Difference" N 57 2.839 0.199 2.858 18657 74 1 13 "Average Difference" HA 68 0.331 0.041 0.331 18657 75 1 13 "Average Difference" C 58 1.214 -0.114 1.219 18657 76 1 13 "Average Difference" CA 65 1.166 -0.224 1.153 18657 77 1 13 "Average Difference" CB 62 0.991 -0.137 0.989 18657 78 1 13 "Average Difference" HN 57 0.507 -0.106 0.500 18657 79 1 14 "Average Difference" N 57 3.073 0.231 3.091 18657 80 1 14 "Average Difference" HA 68 0.326 0.056 0.324 18657 81 1 14 "Average Difference" C 58 1.222 -0.136 1.225 18657 82 1 14 "Average Difference" CA 65 1.207 -0.234 1.193 18657 83 1 14 "Average Difference" CB 62 0.943 -0.102 0.945 18657 84 1 14 "Average Difference" HN 57 0.545 -0.114 0.537 18657 85 1 15 "Average Difference" N 57 2.771 0.233 2.785 18657 86 1 15 "Average Difference" HA 68 0.329 0.049 0.327 18657 87 1 15 "Average Difference" C 58 1.184 -0.088 1.191 18657 88 1 15 "Average Difference" CA 65 1.188 -0.287 1.162 18657 89 1 15 "Average Difference" CB 62 0.923 -0.161 0.916 18657 90 1 15 "Average Difference" HN 57 0.514 -0.096 0.510 18657 91 1 16 "Average Difference" N 57 2.968 0.455 2.959 18657 92 1 16 "Average Difference" HA 68 0.332 0.048 0.331 18657 93 1 16 "Average Difference" C 58 1.216 -0.082 1.224 18657 94 1 16 "Average Difference" CA 65 1.200 -0.242 1.184 18657 95 1 16 "Average Difference" CB 62 0.876 -0.128 0.874 18657 96 1 16 "Average Difference" HN 57 0.514 -0.072 0.513 18657 97 1 17 "Average Difference" N 57 2.761 0.315 2.768 18657 98 1 17 "Average Difference" HA 68 0.330 0.040 0.330 18657 99 1 17 "Average Difference" C 58 1.198 -0.087 1.206 18657 100 1 17 "Average Difference" CA 65 1.176 -0.199 1.168 18657 101 1 17 "Average Difference" CB 62 0.940 -0.166 0.933 18657 102 1 17 "Average Difference" HN 57 0.495 -0.098 0.490 18657 103 1 18 "Average Difference" N 57 2.795 0.318 2.802 18657 104 1 18 "Average Difference" HA 68 0.326 0.052 0.325 18657 105 1 18 "Average Difference" C 58 1.178 -0.060 1.186 18657 106 1 18 "Average Difference" CA 65 1.190 -0.286 1.164 18657 107 1 18 "Average Difference" CB 62 0.932 -0.127 0.931 18657 108 1 18 "Average Difference" HN 57 0.505 -0.066 0.505 18657 109 1 19 "Average Difference" N 57 2.951 0.325 2.959 18657 110 1 19 "Average Difference" HA 68 0.331 0.049 0.330 18657 111 1 19 "Average Difference" C 58 1.266 -0.123 1.271 18657 112 1 19 "Average Difference" CA 65 1.241 -0.252 1.225 18657 113 1 19 "Average Difference" CB 62 0.938 -0.119 0.938 18657 114 1 19 "Average Difference" HN 57 0.523 -0.081 0.521 18657 115 1 20 "Average Difference" N 57 2.862 0.202 2.881 18657 116 1 20 "Average Difference" HA 68 0.329 0.041 0.329 18657 117 1 20 "Average Difference" C 58 1.225 -0.088 1.232 18657 118 1 20 "Average Difference" CA 65 1.245 -0.264 1.226 18657 119 1 20 "Average Difference" CB 62 0.879 -0.179 0.867 18657 120 1 20 "Average Difference" HN 57 0.535 -0.103 0.529 18657 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 18657 _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 1 1 ASN HA H 1 4.703 4.703 4.852 -0.149 18657 2 1 . 1 1 1 1 ASN C C 1 174.258 174.258 174.121 0.137 18657 3 1 . 1 1 1 1 ASN CA C 1 53.192 53.192 53.119 0.073 18657 4 1 . 1 1 1 1 ASN CB C 1 38.954 38.954 39.658 -0.704 18657 5 1 . 1 1 2 2 GLN N N 2 120.041 120.041 123.295 -3.254 18657 6 1 . 1 1 2 2 GLN HA H 2 4.323 4.323 4.237 0.086 18657 7 1 . 1 1 2 2 GLN C C 2 176.004 176.004 175.293 0.711 18657 8 1 . 1 1 2 2 GLN CA C 2 55.835 55.835 55.883 -0.049 18657 9 1 . 1 1 2 2 GLN CB C 2 29.640 29.640 29.133 0.507 18657 10 1 . 1 1 2 2 GLN H H 2 8.597 8.597 8.565 0.032 18657 11 1 . 1 1 3 3 GLU N N 3 124.166 124.166 126.830 -2.664 18657 12 1 . 1 1 3 3 GLU HA H 3 4.294 4.294 4.490 -0.196 18657 13 1 . 1 1 3 3 GLU C C 3 177.305 177.305 175.349 1.956 18657 14 1 . 1 1 3 3 GLU CA C 3 56.597 56.597 55.611 0.986 18657 15 1 . 1 1 3 3 GLU CB C 3 32.196 32.196 31.106 1.090 18657 16 1 . 1 1 3 3 GLU H H 3 9.025 9.025 8.729 0.297 18657 17 1 . 1 1 4 4 SER N N 4 118.222 118.222 120.433 -2.211 18657 18 1 . 1 1 4 4 SER HA H 4 5.412 5.412 5.099 0.313 18657 19 1 . 1 1 4 4 SER C C 4 171.713 171.713 174.046 -2.333 18657 20 1 . 1 1 4 4 SER CA C 4 57.271 57.271 57.799 -0.528 18657 21 1 . 1 1 4 4 SER CB C 4 66.319 66.319 65.095 1.224 18657 22 1 . 1 1 4 4 SER H H 4 8.925 8.925 8.201 0.724 18657 23 1 . 1 1 5 5 VAL N N 5 122.304 122.304 123.687 -1.383 18657 24 1 . 1 1 5 5 VAL HA H 5 4.156 4.156 4.426 -0.270 18657 25 1 . 1 1 5 5 VAL C C 5 174.325 174.325 175.696 -1.371 18657 26 1 . 1 1 5 5 VAL CA C 5 63.408 63.408 63.759 -0.351 18657 27 1 . 1 1 5 5 VAL CB C 5 31.916 31.916 31.835 0.081 18657 28 1 . 1 1 5 5 VAL H H 5 8.506 8.506 8.783 -0.277 18657 29 1 . 1 1 6 6 VAL N N 6 126.068 126.068 126.194 -0.126 18657 30 1 . 1 1 6 6 VAL HA H 6 4.512 4.512 4.286 0.226 18657 31 1 . 1 1 6 6 VAL C C 6 174.958 174.958 174.816 0.142 18657 32 1 . 1 1 6 6 VAL CA C 6 59.365 59.365 60.211 -0.846 18657 33 1 . 1 1 6 6 VAL CB C 6 36.189 36.189 34.790 1.399 18657 34 1 . 1 1 6 6 VAL H H 6 8.637 8.637 8.354 0.283 18657 35 1 . 1 1 7 7 ALA N N 7 126.887 126.887 129.433 -2.546 18657 36 1 . 1 1 7 7 ALA HA H 7 4.441 4.441 4.275 0.166 18657 37 1 . 1 1 7 7 ALA C C 7 178.642 178.642 177.892 0.750 18657 38 1 . 1 1 7 7 ALA CA C 7 53.079 53.079 52.534 0.545 18657 39 1 . 1 1 7 7 ALA CB C 7 19.055 19.055 18.660 0.395 18657 40 1 . 1 1 7 7 ALA H H 7 8.318 8.318 8.138 0.180 18657 41 1 . 1 1 8 8 ALA N N 8 129.962 129.962 127.808 2.154 18657 42 1 . 1 1 8 8 ALA HA H 8 4.162 4.162 4.125 0.037 18657 43 1 . 1 1 8 8 ALA C C 8 174.975 174.975 177.069 -2.094 18657 44 1 . 1 1 8 8 ALA CA C 8 52.229 52.229 53.967 -1.738 18657 45 1 . 1 1 8 8 ALA CB C 8 19.350 19.350 19.274 0.076 18657 46 1 . 1 1 8 8 ALA H H 8 9.248 9.248 8.282 0.966 18657 47 1 . 1 1 9 9 GLN N N 9 111.285 111.285 112.743 -1.458 18657 48 1 . 1 1 9 9 GLN HA H 9 4.510 4.510 4.420 0.090 18657 49 1 . 1 1 9 9 GLN C C 9 172.373 172.373 174.316 -1.943 18657 50 1 . 1 1 9 9 GLN CA C 9 52.613 52.613 53.556 -0.943 18657 51 1 . 1 1 9 9 GLN CB C 9 32.673 32.673 30.830 1.843 18657 52 1 . 1 1 9 9 GLN H H 9 7.709 7.709 7.519 0.190 18657 53 1 . 1 1 10 10 LEU N N 10 120.553 120.553 122.368 -1.815 18657 54 1 . 1 1 10 10 LEU HA H 10 4.541 4.541 4.272 0.269 18657 55 1 . 1 1 10 10 LEU C C 10 177.120 177.120 175.592 1.528 18657 56 1 . 1 1 10 10 LEU CA C 10 56.329 56.329 56.140 0.189 18657 57 1 . 1 1 10 10 LEU CB C 10 41.176 41.176 42.148 -0.972 18657 58 1 . 1 1 10 10 LEU H H 10 8.501 8.501 8.487 0.014 18657 59 1 . 1 1 11 11 ILE N N 11 132.775 132.775 127.953 4.822 18657 60 1 . 1 1 11 11 ILE HA H 11 4.604 4.604 4.605 -0.001 18657 61 1 . 1 1 11 11 ILE CA C 11 59.247 59.247 57.742 1.505 18657 62 1 . 1 1 11 11 ILE CB C 11 39.630 39.630 40.361 -0.731 18657 63 1 . 1 1 11 11 ILE H H 11 9.329 9.329 8.878 0.451 18657 64 1 . 1 1 12 12 PRO HA H 12 4.392 4.392 4.490 -0.098 18657 65 1 . 1 1 12 12 PRO C C 12 176.644 176.644 176.278 0.366 18657 66 1 . 1 1 12 12 PRO CA C 12 61.904 61.904 61.560 0.344 18657 67 1 . 1 1 12 12 PRO CB C 12 32.576 32.576 32.299 0.277 18657 68 1 . 1 1 13 13 ILE N N 13 121.774 121.774 119.798 1.976 18657 69 1 . 1 1 13 13 ILE HA H 13 3.380 3.380 3.676 -0.296 18657 70 1 . 1 1 13 13 ILE C C 13 173.621 173.621 176.176 -2.555 18657 71 1 . 1 1 13 13 ILE CA C 13 63.705 63.705 62.573 1.132 18657 72 1 . 1 1 13 13 ILE CB C 13 38.836 38.836 38.657 0.179 18657 73 1 . 1 1 13 13 ILE H H 13 7.938 7.938 8.119 -0.181 18657 74 1 . 1 1 14 14 ASN N N 14 117.013 117.013 122.333 -5.320 18657 75 1 . 1 1 14 14 ASN HA H 14 4.565 4.565 4.436 0.129 18657 76 1 . 1 1 14 14 ASN C C 14 173.943 173.943 173.914 0.029 18657 77 1 . 1 1 14 14 ASN CA C 14 55.344 55.344 54.798 0.546 18657 78 1 . 1 1 14 14 ASN CB C 14 37.014 37.014 36.566 0.448 18657 79 1 . 1 1 14 14 ASN H H 14 7.240 7.240 9.021 -1.781 18657 80 1 . 1 1 15 15 THR N N 15 116.580 116.580 115.813 0.767 18657 81 1 . 1 1 15 15 THR HA H 15 3.966 3.966 4.433 -0.467 18657 82 1 . 1 1 15 15 THR C C 15 172.956 172.956 173.793 -0.837 18657 83 1 . 1 1 15 15 THR CA C 15 64.332 64.332 61.542 2.790 18657 84 1 . 1 1 15 15 THR CB C 15 69.532 69.532 69.818 -0.286 18657 85 1 . 1 1 15 15 THR H H 15 7.313 7.313 7.485 -0.172 18657 86 1 . 1 1 16 16 ALA N N 16 128.035 128.035 131.454 -3.419 18657 87 1 . 1 1 16 16 ALA HA H 16 4.246 4.246 4.162 0.084 18657 88 1 . 1 1 16 16 ALA C C 16 176.643 176.643 176.954 -0.311 18657 89 1 . 1 1 16 16 ALA CA C 16 50.750 50.750 52.305 -1.555 18657 90 1 . 1 1 16 16 ALA CB C 16 18.653 18.653 18.458 0.195 18657 91 1 . 1 1 16 16 ALA H H 16 8.545 8.545 8.724 -0.179 18657 92 1 . 1 1 17 17 LEU N N 17 125.094 125.094 126.118 -1.024 18657 93 1 . 1 1 17 17 LEU HA H 17 4.505 4.505 4.251 0.254 18657 94 1 . 1 1 17 17 LEU C C 17 178.848 178.848 176.971 1.877 18657 95 1 . 1 1 17 17 LEU CA C 17 56.127 56.127 55.782 0.345 18657 96 1 . 1 1 17 17 LEU CB C 17 42.573 42.573 42.613 -0.040 18657 97 1 . 1 1 17 17 LEU H H 17 9.114 9.114 8.312 0.802 18657 98 1 . 1 1 18 18 THR N N 18 113.568 113.568 112.664 0.904 18657 99 1 . 1 1 18 18 THR HA H 18 4.623 4.623 4.469 0.154 18657 100 1 . 1 1 18 18 THR C C 18 175.028 175.028 174.768 0.260 18657 101 1 . 1 1 18 18 THR CA C 18 58.935 58.935 60.272 -1.337 18657 102 1 . 1 1 18 18 THR CB C 18 71.185 71.185 71.267 -0.082 18657 103 1 . 1 1 18 18 THR H H 18 7.980 7.980 8.005 -0.025 18657 104 1 . 1 1 19 19 LEU N N 19 121.118 121.118 121.992 -0.875 18657 105 1 . 1 1 19 19 LEU HA H 19 3.817 3.817 4.296 -0.479 18657 106 1 . 1 1 19 19 LEU C C 19 179.309 179.309 176.609 2.700 18657 107 1 . 1 1 19 19 LEU CA C 19 58.710 58.710 56.628 2.082 18657 108 1 . 1 1 19 19 LEU CB C 19 42.213 42.213 41.828 0.385 18657 109 1 . 1 1 19 19 LEU H H 19 8.882 8.882 8.598 0.284 18657 110 1 . 1 1 20 20 VAL N N 20 110.454 110.454 110.583 -0.129 18657 111 1 . 1 1 20 20 VAL HA H 20 4.021 4.021 4.116 -0.095 18657 112 1 . 1 1 20 20 VAL C C 20 176.778 176.778 175.783 0.995 18657 113 1 . 1 1 20 20 VAL CA C 20 63.377 63.377 63.075 0.302 18657 114 1 . 1 1 20 20 VAL CB C 20 31.558 31.558 31.866 -0.308 18657 115 1 . 1 1 20 20 VAL H H 20 7.528 7.528 7.668 -0.140 18657 116 1 . 1 1 21 21 MET N N 21 116.848 116.848 117.852 -1.004 18657 117 1 . 1 1 21 21 MET HA H 21 3.940 3.940 4.597 -0.657 18657 118 1 . 1 1 21 21 MET C C 21 175.514 175.514 175.163 0.351 18657 119 1 . 1 1 21 21 MET CA C 21 57.965 57.965 55.663 2.302 18657 120 1 . 1 1 21 21 MET CB C 21 32.889 32.889 34.809 -1.920 18657 121 1 . 1 1 21 21 MET H H 21 7.518 7.518 8.033 -0.515 18657 122 1 . 1 1 22 22 MET N N 22 116.986 116.986 117.352 -0.366 18657 123 1 . 1 1 22 22 MET HA H 22 4.893 4.893 4.861 0.032 18657 124 1 . 1 1 22 22 MET C C 22 173.981 173.981 174.782 -0.801 18657 125 1 . 1 1 22 22 MET CA C 22 55.373 55.373 54.741 0.632 18657 126 1 . 1 1 22 22 MET CB C 22 37.383 37.383 37.068 0.315 18657 127 1 . 1 1 22 22 MET H H 22 7.709 7.709 7.405 0.304 18657 128 1 . 1 1 23 23 THR N N 23 118.163 118.163 113.160 5.003 18657 129 1 . 1 1 23 23 THR HA H 23 4.788 4.788 4.640 0.148 18657 130 1 . 1 1 23 23 THR C C 23 172.307 172.307 172.438 -0.131 18657 131 1 . 1 1 23 23 THR CA C 23 58.678 58.678 60.573 -1.895 18657 132 1 . 1 1 23 23 THR CB C 23 69.836 69.836 70.415 -0.579 18657 133 1 . 1 1 23 23 THR H H 23 9.041 9.041 8.197 0.844 18657 134 1 . 1 1 24 24 THR N N 24 111.374 111.374 112.933 -1.559 18657 135 1 . 1 1 24 24 THR HA H 24 5.691 5.691 5.131 0.560 18657 136 1 . 1 1 24 24 THR C C 24 174.035 174.035 173.566 0.469 18657 137 1 . 1 1 24 24 THR CA C 24 58.843 58.843 60.097 -1.254 18657 138 1 . 1 1 24 24 THR CB C 24 71.456 71.456 71.364 0.092 18657 139 1 . 1 1 24 24 THR H H 24 8.139 8.139 8.273 -0.134 18657 140 1 . 1 1 25 25 ARG N N 25 119.402 119.402 123.416 -4.014 18657 141 1 . 1 1 25 25 ARG HA H 25 4.575 4.575 4.464 0.111 18657 142 1 . 1 1 25 25 ARG C C 25 174.979 174.979 173.764 1.215 18657 143 1 . 1 1 25 25 ARG CA C 25 55.085 55.085 55.607 -0.522 18657 144 1 . 1 1 25 25 ARG CB C 25 35.806 35.806 33.842 1.964 18657 145 1 . 1 1 25 25 ARG H H 25 8.626 8.626 8.324 0.302 18657 146 1 . 1 1 26 26 VAL N N 26 124.668 124.668 125.243 -0.575 18657 147 1 . 1 1 26 26 VAL HA H 26 4.132 4.132 4.051 0.081 18657 148 1 . 1 1 26 26 VAL C C 26 174.893 174.893 176.125 -1.232 18657 149 1 . 1 1 26 26 VAL CA C 26 64.085 64.085 63.051 1.034 18657 150 1 . 1 1 26 26 VAL CB C 26 30.450 30.450 30.525 -0.075 18657 151 1 . 1 1 26 26 VAL H H 26 9.050 9.050 8.441 0.609 18657 152 1 . 1 1 27 27 VAL N N 27 123.136 123.136 122.689 0.447 18657 153 1 . 1 1 27 27 VAL HA H 27 4.649 4.649 4.565 0.083 18657 154 1 . 1 1 27 27 VAL C C 27 174.747 174.747 174.008 0.739 18657 155 1 . 1 1 27 27 VAL CA C 27 59.232 59.232 59.405 -0.173 18657 156 1 . 1 1 27 27 VAL CB C 27 36.205 36.205 35.192 1.013 18657 157 1 . 1 1 27 27 VAL H H 27 8.266 8.266 7.868 0.398 18657 158 1 . 1 1 28 28 SER N N 28 116.564 116.564 116.287 0.277 18657 159 1 . 1 1 28 28 SER HA H 28 4.535 4.535 4.934 -0.399 18657 160 1 . 1 1 28 28 SER CA C 28 54.880 54.880 55.467 -0.587 18657 161 1 . 1 1 28 28 SER CB C 28 64.922 64.922 64.618 0.304 18657 162 1 . 1 1 28 28 SER H H 28 8.302 8.302 8.307 -0.005 18657 163 1 . 1 1 29 29 PRO HA H 29 4.774 4.774 4.690 0.084 18657 164 1 . 1 1 29 29 PRO C C 29 176.324 176.324 175.979 0.345 18657 165 1 . 1 1 29 29 PRO CA C 29 62.543 62.543 62.561 -0.018 18657 166 1 . 1 1 29 29 PRO CB C 29 34.561 34.561 32.469 2.092 18657 167 1 . 1 1 30 30 THR N N 30 113.418 113.418 112.073 1.345 18657 168 1 . 1 1 30 30 THR HA H 30 3.830 3.830 4.329 -0.499 18657 169 1 . 1 1 30 30 THR C C 30 174.556 174.556 174.208 0.348 18657 170 1 . 1 1 30 30 THR CA C 30 62.846 62.846 61.881 0.965 18657 171 1 . 1 1 30 30 THR CB C 30 69.384 69.384 69.681 -0.297 18657 172 1 . 1 1 30 30 THR H H 30 8.492 8.492 8.209 0.283 18657 173 1 . 1 1 31 31 GLY N N 31 109.224 109.224 109.492 -0.268 18657 174 1 . 1 1 31 31 GLY C C 31 174.722 174.722 173.406 1.316 18657 175 1 . 1 1 31 31 GLY CA C 31 44.844 44.844 43.497 1.347 18657 176 1 . 1 1 31 31 GLY H H 31 8.054 8.054 8.056 -0.002 18657 177 1 . 1 1 32 32 ILE N N 32 128.549 128.549 122.594 5.955 18657 178 1 . 1 1 32 32 ILE HA H 32 3.959 3.959 4.003 -0.044 18657 179 1 . 1 1 32 32 ILE CA C 32 61.251 61.251 62.118 -0.867 18657 180 1 . 1 1 32 32 ILE CB C 32 39.665 39.665 37.579 2.086 18657 181 1 . 1 1 32 32 ILE H H 32 8.820 8.820 8.133 0.687 18657 182 1 . 1 1 33 33 PRO HA H 33 4.777 4.777 4.594 0.183 18657 183 1 . 1 1 33 33 PRO C C 33 177.878 177.878 177.293 0.585 18657 184 1 . 1 1 33 33 PRO CA C 33 63.110 63.110 62.431 0.679 18657 185 1 . 1 1 33 33 PRO CB C 33 32.793 32.793 32.161 0.632 18657 186 1 . 1 1 34 34 ALA N N 34 123.151 123.151 125.939 -2.788 18657 187 1 . 1 1 34 34 ALA HA H 34 3.722 3.722 4.054 -0.332 18657 188 1 . 1 1 34 34 ALA C C 34 179.547 179.547 179.515 0.032 18657 189 1 . 1 1 34 34 ALA CA C 34 54.835 54.835 54.803 0.032 18657 190 1 . 1 1 34 34 ALA CB C 34 19.974 19.974 18.598 1.376 18657 191 1 . 1 1 34 34 ALA H H 34 7.973 7.973 8.711 -0.738 18657 192 1 . 1 1 35 35 GLU N N 35 116.421 116.421 117.021 -0.600 18657 193 1 . 1 1 35 35 GLU HA H 35 4.022 4.022 4.129 -0.107 18657 194 1 . 1 1 35 35 GLU C C 35 176.479 176.479 176.492 -0.013 18657 195 1 . 1 1 35 35 GLU CA C 35 58.966 58.966 58.070 0.896 18657 196 1 . 1 1 35 35 GLU CB C 35 28.642 28.642 29.105 -0.463 18657 197 1 . 1 1 35 35 GLU H H 35 9.247 9.247 8.626 0.621 18657 198 1 . 1 1 36 36 ASP N N 36 118.097 118.097 118.646 -0.549 18657 199 1 . 1 1 36 36 ASP HA H 36 4.955 4.955 4.887 0.068 18657 200 1 . 1 1 36 36 ASP C C 36 176.823 176.823 176.626 0.197 18657 201 1 . 1 1 36 36 ASP CA C 36 54.568 54.568 53.854 0.714 18657 202 1 . 1 1 36 36 ASP CB C 36 40.971 40.971 40.728 0.243 18657 203 1 . 1 1 36 36 ASP H H 36 8.146 8.146 8.264 -0.118 18657 204 1 . 1 1 37 37 ILE N N 37 121.429 121.429 122.712 -1.283 18657 205 1 . 1 1 37 37 ILE HA H 37 3.636 3.636 3.955 -0.319 18657 206 1 . 1 1 37 37 ILE CA C 37 68.859 68.859 67.538 1.321 18657 207 1 . 1 1 37 37 ILE CB C 37 35.859 35.859 36.375 -0.516 18657 208 1 . 1 1 37 37 ILE H H 37 7.520 7.520 7.850 -0.330 18657 209 1 . 1 1 38 38 PRO HA H 38 4.183 4.183 4.402 -0.219 18657 210 1 . 1 1 38 38 PRO C C 38 179.052 179.052 177.065 1.987 18657 211 1 . 1 1 38 38 PRO CA C 38 65.906 65.906 64.563 1.343 18657 212 1 . 1 1 38 38 PRO CB C 38 31.030 31.030 31.032 -0.002 18657 213 1 . 1 1 39 39 ARG N N 39 115.064 115.064 116.955 -1.891 18657 214 1 . 1 1 39 39 ARG HA H 39 4.237 4.237 4.353 -0.116 18657 215 1 . 1 1 39 39 ARG C C 39 176.002 176.002 177.869 -1.867 18657 216 1 . 1 1 39 39 ARG CA C 39 57.362 57.362 57.996 -0.634 18657 217 1 . 1 1 39 39 ARG CB C 39 30.510 30.510 31.232 -0.722 18657 218 1 . 1 1 39 39 ARG H H 39 7.367 7.367 7.965 -0.598 18657 219 1 . 1 1 40 40 LEU N N 40 118.158 118.158 118.472 -0.314 18657 220 1 . 1 1 40 40 LEU HA H 40 4.080 4.080 4.371 -0.291 18657 221 1 . 1 1 40 40 LEU C C 40 177.804 177.804 177.102 0.702 18657 222 1 . 1 1 40 40 LEU CA C 40 55.770 55.770 55.468 0.302 18657 223 1 . 1 1 40 40 LEU CB C 40 42.782 42.782 41.891 0.891 18657 224 1 . 1 1 40 40 LEU H H 40 7.782 7.782 8.313 -0.531 18657 225 1 . 1 1 41 41 ILE N N 41 115.608 115.608 118.323 -2.715 18657 226 1 . 1 1 41 41 ILE HA H 41 3.345 3.345 3.764 -0.419 18657 227 1 . 1 1 41 41 ILE C C 41 178.078 178.078 176.236 1.842 18657 228 1 . 1 1 41 41 ILE CA C 41 62.606 62.606 63.334 -0.728 18657 229 1 . 1 1 41 41 ILE CB C 41 36.606 36.606 36.554 0.052 18657 230 1 . 1 1 41 41 ILE H H 41 6.799 6.799 7.539 -0.740 18657 231 1 . 1 1 42 42 SER N N 42 121.395 121.395 117.969 3.426 18657 232 1 . 1 1 42 42 SER HA H 42 3.991 3.991 4.128 -0.137 18657 233 1 . 1 1 42 42 SER C C 42 173.816 173.816 173.717 0.099 18657 234 1 . 1 1 42 42 SER CA C 42 62.348 62.348 60.379 1.969 18657 235 1 . 1 1 42 42 SER CB C 42 62.947 62.947 63.155 -0.209 18657 236 1 . 1 1 42 42 SER H H 42 9.328 9.328 8.950 0.378 18657 237 1 . 1 1 43 43 MET N N 43 123.672 123.672 121.510 2.162 18657 238 1 . 1 1 43 43 MET HA H 43 4.449 4.449 4.619 -0.170 18657 239 1 . 1 1 43 43 MET C C 43 175.128 175.128 176.055 -0.927 18657 240 1 . 1 1 43 43 MET CA C 43 57.119 57.119 55.218 1.901 18657 241 1 . 1 1 43 43 MET CB C 43 32.831 32.831 33.289 -0.458 18657 242 1 . 1 1 43 43 MET H H 43 8.806 8.806 8.049 0.757 18657 243 1 . 1 1 44 44 GLN N N 44 118.463 118.463 122.955 -4.492 18657 244 1 . 1 1 44 44 GLN HA H 44 5.256 5.256 4.715 0.541 18657 245 1 . 1 1 44 44 GLN C C 44 177.035 177.035 175.792 1.243 18657 246 1 . 1 1 44 44 GLN CA C 44 54.304 54.304 55.433 -1.129 18657 247 1 . 1 1 44 44 GLN CB C 44 32.083 32.083 29.934 2.149 18657 248 1 . 1 1 44 44 GLN H H 44 8.947 8.947 8.729 0.218 18657 249 1 . 1 1 45 45 VAL N N 45 111.238 111.238 113.770 -2.532 18657 250 1 . 1 1 45 45 VAL HA H 45 5.297 5.297 4.662 0.635 18657 251 1 . 1 1 45 45 VAL C C 45 177.962 177.962 175.490 2.472 18657 252 1 . 1 1 45 45 VAL CA C 45 59.950 59.950 59.159 0.791 18657 253 1 . 1 1 45 45 VAL CB C 45 33.437 33.437 34.085 -0.648 18657 254 1 . 1 1 45 45 VAL H H 45 7.564 7.564 8.040 -0.476 18657 255 1 . 1 1 46 46 ASN N N 46 118.782 118.782 120.791 -2.009 18657 256 1 . 1 1 46 46 ASN HA H 46 4.716 4.716 4.755 -0.039 18657 257 1 . 1 1 46 46 ASN C C 46 174.812 174.812 174.733 0.079 18657 258 1 . 1 1 46 46 ASN CA C 46 51.680 51.680 52.311 -0.631 18657 259 1 . 1 1 46 46 ASN CB C 46 39.469 39.469 38.870 0.599 18657 260 1 . 1 1 46 46 ASN H H 46 8.556 8.556 8.411 0.145 18657 261 1 . 1 1 47 47 GLN N N 47 112.810 112.810 116.913 -4.103 18657 262 1 . 1 1 47 47 GLN HA H 47 4.549 4.549 4.276 0.273 18657 263 1 . 1 1 47 47 GLN C C 47 172.365 172.365 173.833 -1.468 18657 264 1 . 1 1 47 47 GLN CA C 47 53.013 53.013 54.951 -1.938 18657 265 1 . 1 1 47 47 GLN CB C 47 32.841 32.841 32.049 0.792 18657 266 1 . 1 1 47 47 GLN H H 47 7.663 7.663 7.628 0.035 18657 267 1 . 1 1 48 48 VAL N N 48 118.841 118.841 124.340 -5.499 18657 268 1 . 1 1 48 48 VAL HA H 48 4.184 4.184 3.978 0.206 18657 269 1 . 1 1 48 48 VAL C C 48 176.865 176.865 175.524 1.341 18657 270 1 . 1 1 48 48 VAL CA C 48 62.932 62.932 63.788 -0.856 18657 271 1 . 1 1 48 48 VAL CB C 48 31.788 31.788 31.679 0.109 18657 272 1 . 1 1 48 48 VAL H H 48 8.407 8.407 8.478 -0.071 18657 273 1 . 1 1 49 49 VAL N N 49 130.600 130.600 128.650 1.950 18657 274 1 . 1 1 49 49 VAL HA H 49 4.547 4.547 4.562 -0.015 18657 275 1 . 1 1 49 49 VAL CA C 49 59.419 59.419 58.884 0.535 18657 276 1 . 1 1 49 49 VAL CB C 49 33.236 33.236 33.203 0.033 18657 277 1 . 1 1 49 49 VAL H H 49 9.165 9.165 9.052 0.113 18657 278 1 . 1 1 50 50 PRO HA H 50 4.227 4.227 4.527 -0.300 18657 279 1 . 1 1 50 50 PRO C C 50 176.512 176.512 176.176 0.336 18657 280 1 . 1 1 50 50 PRO CA C 50 62.220 62.220 61.581 0.639 18657 281 1 . 1 1 50 50 PRO CB C 50 32.282 32.282 32.546 -0.264 18657 282 1 . 1 1 51 51 MET N N 51 123.146 123.146 119.383 3.763 18657 283 1 . 1 1 51 51 MET HA H 51 3.322 3.322 4.042 -0.720 18657 284 1 . 1 1 51 51 MET C C 51 176.953 176.953 177.848 -0.895 18657 285 1 . 1 1 51 51 MET CA C 51 58.534 58.534 57.672 0.862 18657 286 1 . 1 1 51 51 MET CB C 51 32.593 32.593 33.058 -0.465 18657 287 1 . 1 1 51 51 MET H H 51 8.598 8.598 8.301 0.297 18657 288 1 . 1 1 52 52 GLY N N 52 114.707 114.707 113.859 0.848 18657 289 1 . 1 1 52 52 GLY C C 52 173.693 173.693 174.368 -0.675 18657 290 1 . 1 1 52 52 GLY CA C 52 45.046 45.046 45.736 -0.690 18657 291 1 . 1 1 52 52 GLY H H 52 8.852 8.852 9.086 -0.234 18657 292 1 . 1 1 53 53 THR N N 53 119.372 119.372 120.255 -0.883 18657 293 1 . 1 1 53 53 THR HA H 53 4.143 4.143 4.351 -0.208 18657 294 1 . 1 1 53 53 THR C C 53 173.482 173.482 174.570 -1.088 18657 295 1 . 1 1 53 53 THR CA C 53 63.363 63.363 62.484 0.879 18657 296 1 . 1 1 53 53 THR CB C 53 69.448 69.448 68.995 0.453 18657 297 1 . 1 1 53 53 THR H H 53 7.706 7.706 7.721 -0.015 18657 298 1 . 1 1 54 54 THR N N 54 125.168 125.168 123.425 1.743 18657 299 1 . 1 1 54 54 THR HA H 54 4.137 4.137 4.104 0.032 18657 300 1 . 1 1 54 54 THR C C 54 173.018 173.018 174.031 -1.013 18657 301 1 . 1 1 54 54 THR CA C 54 63.314 63.314 64.456 -1.142 18657 302 1 . 1 1 54 54 THR CB C 54 68.846 68.846 69.375 -0.529 18657 303 1 . 1 1 54 54 THR H H 54 8.914 8.914 8.640 0.274 18657 304 1 . 1 1 55 55 LEU N N 55 131.166 131.166 126.722 4.444 18657 305 1 . 1 1 55 55 LEU HA H 55 4.298 4.298 4.482 -0.184 18657 306 1 . 1 1 55 55 LEU C C 55 174.234 174.234 175.618 -1.384 18657 307 1 . 1 1 55 55 LEU CA C 55 55.132 55.132 54.102 1.030 18657 308 1 . 1 1 55 55 LEU CB C 55 42.317 42.317 42.973 -0.656 18657 309 1 . 1 1 55 55 LEU H H 55 9.006 9.006 8.854 0.152 18657 310 1 . 1 1 56 56 MET N N 56 126.627 126.627 123.319 3.308 18657 311 1 . 1 1 56 56 MET HA H 56 5.043 5.043 4.866 0.177 18657 312 1 . 1 1 56 56 MET CA C 56 51.058 51.058 52.457 -1.399 18657 313 1 . 1 1 56 56 MET CB C 56 31.593 31.593 33.143 -1.550 18657 314 1 . 1 1 56 56 MET H H 56 8.028 8.028 8.622 -0.594 18657 315 1 . 1 1 57 57 PRO HA H 57 3.695 3.695 3.506 0.189 18657 316 1 . 1 1 57 57 PRO C C 57 176.780 176.780 176.334 0.447 18657 317 1 . 1 1 57 57 PRO CA C 57 66.142 66.142 64.331 1.811 18657 318 1 . 1 1 57 57 PRO CB C 57 32.795 32.795 31.408 1.386 18657 319 1 . 1 1 58 58 ASP N N 58 110.360 110.360 115.772 -5.412 18657 320 1 . 1 1 58 58 ASP HA H 58 4.436 4.436 4.658 -0.222 18657 321 1 . 1 1 58 58 ASP C C 58 176.945 176.945 175.870 1.075 18657 322 1 . 1 1 58 58 ASP CA C 58 54.660 54.660 54.483 0.177 18657 323 1 . 1 1 58 58 ASP CB C 58 39.716 39.716 40.424 -0.708 18657 324 1 . 1 1 58 58 ASP H H 58 8.036 8.036 8.541 -0.505 18657 325 1 . 1 1 59 59 MET N N 59 116.951 116.951 117.450 -0.499 18657 326 1 . 1 1 59 59 MET HA H 59 4.642 4.642 4.819 -0.177 18657 327 1 . 1 1 59 59 MET C C 59 174.817 174.817 174.626 0.191 18657 328 1 . 1 1 59 59 MET CA C 59 56.757 56.757 55.385 1.372 18657 329 1 . 1 1 59 59 MET CB C 59 33.587 33.587 34.655 -1.067 18657 330 1 . 1 1 59 59 MET H H 59 8.066 8.066 7.345 0.721 18657 331 1 . 1 1 60 60 VAL N N 60 117.470 117.470 120.383 -2.913 18657 332 1 . 1 1 60 60 VAL HA H 60 4.351 4.351 4.463 -0.112 18657 333 1 . 1 1 60 60 VAL C C 60 176.067 176.067 175.363 0.704 18657 334 1 . 1 1 60 60 VAL CA C 60 61.229 61.229 60.171 1.058 18657 335 1 . 1 1 60 60 VAL CB C 60 33.146 33.146 34.309 -1.163 18657 336 1 . 1 1 60 60 VAL H H 60 7.109 7.109 7.250 -0.141 18657 337 1 . 1 1 61 61 LYS N N 61 128.839 128.839 128.128 0.711 18657 338 1 . 1 1 61 61 LYS HA H 61 4.122 4.122 4.417 -0.295 18657 339 1 . 1 1 61 61 LYS C C 61 177.652 177.652 177.021 0.631 18657 340 1 . 1 1 61 61 LYS CA C 61 58.146 58.146 56.280 1.866 18657 341 1 . 1 1 61 61 LYS CB C 61 32.336 32.336 32.878 -0.542 18657 342 1 . 1 1 61 61 LYS H H 61 9.069 9.069 8.253 0.816 18657 343 1 . 1 1 62 62 GLY N N 62 113.363 113.363 110.015 3.348 18657 344 1 . 1 1 62 62 GLY C C 62 174.621 174.621 174.467 0.154 18657 345 1 . 1 1 62 62 GLY CA C 62 45.506 45.506 46.038 -0.532 18657 346 1 . 1 1 62 62 GLY H H 62 9.094 9.094 8.671 0.423 18657 347 1 . 1 1 63 63 TYR N N 63 120.959 120.959 119.552 1.407 18657 348 1 . 1 1 63 63 TYR HA H 63 3.971 3.971 4.507 -0.536 18657 349 1 . 1 1 63 63 TYR C C 63 174.228 174.228 174.679 -0.451 18657 350 1 . 1 1 63 63 TYR CA C 63 60.374 60.374 58.141 2.233 18657 351 1 . 1 1 63 63 TYR CB C 63 39.040 39.040 39.959 -0.919 18657 352 1 . 1 1 63 63 TYR H H 63 7.564 7.564 7.420 0.144 18657 353 1 . 1 1 64 64 ALA N N 64 129.533 129.533 122.870 6.663 18657 354 1 . 1 1 64 64 ALA HA H 64 4.425 4.425 4.504 -0.079 18657 355 1 . 1 1 64 64 ALA CA C 64 49.480 49.480 50.862 -1.382 18657 356 1 . 1 1 64 64 ALA CB C 64 19.620 19.620 19.013 0.607 18657 357 1 . 1 1 64 64 ALA H H 64 7.546 7.546 6.686 0.860 18657 358 1 . 1 1 65 65 PRO HA H 65 4.250 4.250 4.493 -0.243 18657 359 1 . 1 1 65 65 PRO C C 65 175.380 175.380 176.703 -1.323 18657 360 1 . 1 1 65 65 PRO CA C 65 62.712 62.712 62.377 0.335 18657 361 1 . 1 1 65 65 PRO CB C 65 32.210 32.210 32.403 -0.193 18657 stop_ save_