data_19860 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19860 _Entry.PDB_ID 2MMP 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 19860 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 LEU HA H 2 4.435 4.435 4.141 0.294 19860 2 1 1 . 1 1 2 2 LEU C C 2 176.773 176.773 176.257 0.516 19860 3 1 1 . 1 1 2 2 LEU CA C 2 55.299 55.299 55.182 0.117 19860 4 1 1 . 1 1 2 2 LEU CB C 2 42.529 42.529 40.758 1.771 19860 5 1 1 . 1 1 3 3 LYS N N 3 123.220 123.220 117.923 5.297 19860 6 1 1 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.027 0.298 19860 7 1 1 . 1 1 3 3 LYS C C 3 176.224 176.224 174.897 1.327 19860 8 1 1 . 1 1 3 3 LYS CA C 3 56.344 56.344 57.228 -0.884 19860 9 1 1 . 1 1 3 3 LYS CB C 3 33.335 33.335 31.743 1.592 19860 10 1 1 . 1 1 3 3 LYS H H 3 8.520 8.520 8.244 0.276 19860 11 1 1 . 1 1 4 4 HIS N N 4 119.727 119.727 119.528 0.199 19860 12 1 1 . 1 1 4 4 HIS HA H 4 4.721 4.721 4.793 -0.072 19860 13 1 1 . 1 1 4 4 HIS C C 4 175.318 175.318 173.871 1.447 19860 14 1 1 . 1 1 4 4 HIS CA C 4 55.941 55.941 56.342 -0.401 19860 15 1 1 . 1 1 4 4 HIS CB C 4 30.636 30.636 31.952 -1.316 19860 16 1 1 . 1 1 4 4 HIS H H 4 8.486 8.486 8.149 0.337 19860 17 1 1 . 1 1 5 5 GLY N N 5 110.318 110.318 106.017 4.301 19860 18 1 1 . 1 1 5 5 GLY C C 5 172.966 172.966 173.293 -0.327 19860 19 1 1 . 1 1 5 5 GLY CA C 5 45.146 45.146 44.406 0.740 19860 20 1 1 . 1 1 5 5 GLY H H 5 8.602 8.602 8.174 0.428 19860 21 1 1 . 1 1 6 6 LYS N N 6 120.808 120.808 123.020 -2.212 19860 22 1 1 . 1 1 6 6 LYS HA H 6 4.438 4.438 4.644 -0.206 19860 23 1 1 . 1 1 6 6 LYS C C 6 175.168 175.168 175.026 0.142 19860 24 1 1 . 1 1 6 6 LYS CA C 6 56.179 56.179 54.266 1.913 19860 25 1 1 . 1 1 6 6 LYS CB C 6 34.277 34.277 36.649 -2.372 19860 26 1 1 . 1 1 6 6 LYS H H 6 8.275 8.275 8.512 -0.237 19860 27 1 1 . 1 1 7 7 TYR N N 7 118.666 118.666 119.987 -1.321 19860 28 1 1 . 1 1 7 7 TYR HA H 7 5.513 5.513 5.395 0.118 19860 29 1 1 . 1 1 7 7 TYR C C 7 176.004 176.004 176.113 -0.109 19860 30 1 1 . 1 1 7 7 TYR CA C 7 56.971 56.971 57.496 -0.525 19860 31 1 1 . 1 1 7 7 TYR CB C 7 41.032 41.032 39.201 1.831 19860 32 1 1 . 1 1 7 7 TYR H H 7 8.351 8.351 8.540 -0.189 19860 33 1 1 . 1 1 8 8 VAL N N 8 115.920 115.920 119.605 -3.685 19860 34 1 1 . 1 1 8 8 VAL HA H 8 4.860 4.860 4.822 0.038 19860 35 1 1 . 1 1 8 8 VAL C C 8 173.220 173.220 173.461 -0.241 19860 36 1 1 . 1 1 8 8 VAL CA C 8 59.694 59.694 58.749 0.945 19860 37 1 1 . 1 1 8 8 VAL CB C 8 35.246 35.246 34.752 0.494 19860 38 1 1 . 1 1 8 8 VAL H H 8 9.057 9.057 8.833 0.224 19860 39 1 1 . 1 1 9 9 TYR N N 9 118.786 118.786 117.183 1.603 19860 40 1 1 . 1 1 9 9 TYR HA H 9 5.515 5.515 5.623 -0.108 19860 41 1 1 . 1 1 9 9 TYR C C 9 175.072 175.072 175.878 -0.806 19860 42 1 1 . 1 1 9 9 TYR CA C 9 56.576 56.576 55.885 0.691 19860 43 1 1 . 1 1 9 9 TYR CB C 9 41.532 41.532 42.258 -0.726 19860 44 1 1 . 1 1 9 9 TYR H H 9 9.117 9.117 8.631 0.486 19860 45 1 1 . 1 1 10 10 ILE N N 10 121.376 121.376 122.003 -0.627 19860 46 1 1 . 1 1 10 10 ILE HA H 10 4.887 4.887 4.685 0.202 19860 47 1 1 . 1 1 10 10 ILE C C 10 176.044 176.044 176.225 -0.181 19860 48 1 1 . 1 1 10 10 ILE CA C 10 58.948 58.948 58.316 0.632 19860 49 1 1 . 1 1 10 10 ILE CB C 10 38.537 38.537 37.978 0.559 19860 50 1 1 . 1 1 10 10 ILE H H 10 9.514 9.514 9.014 0.500 19860 51 1 1 . 1 1 11 11 ASP N N 11 126.501 126.501 128.309 -1.808 19860 52 1 1 . 1 1 11 11 ASP HA H 11 4.390 4.390 4.335 0.055 19860 53 1 1 . 1 1 11 11 ASP C C 11 175.850 175.850 176.422 -0.572 19860 54 1 1 . 1 1 11 11 ASP CA C 11 53.377 53.377 53.722 -0.345 19860 55 1 1 . 1 1 11 11 ASP CB C 11 41.808 41.808 40.165 1.643 19860 56 1 1 . 1 1 11 11 ASP H H 11 8.676 8.676 8.827 -0.151 19860 57 1 1 . 1 1 12 12 LEU N N 12 127.505 127.505 124.532 2.973 19860 58 1 1 . 1 1 12 12 LEU HA H 12 4.319 4.319 4.168 0.151 19860 59 1 1 . 1 1 12 12 LEU C C 12 176.132 176.132 177.737 -1.605 19860 60 1 1 . 1 1 12 12 LEU CA C 12 55.439 55.439 55.560 -0.121 19860 61 1 1 . 1 1 12 12 LEU CB C 12 40.312 40.312 42.210 -1.898 19860 62 1 1 . 1 1 12 12 LEU H H 12 7.692 7.692 7.695 -0.003 19860 63 1 1 . 1 1 13 13 ASN N N 13 114.351 114.351 114.449 -0.098 19860 64 1 1 . 1 1 13 13 ASN HA H 13 4.391 4.391 4.327 0.064 19860 65 1 1 . 1 1 13 13 ASN C C 13 174.440 174.440 174.901 -0.461 19860 66 1 1 . 1 1 13 13 ASN CA C 13 54.482 54.482 54.406 0.076 19860 67 1 1 . 1 1 13 13 ASN CB C 13 37.861 37.861 38.367 -0.506 19860 68 1 1 . 1 1 13 13 ASN H H 13 9.187 9.187 7.785 1.402 19860 69 1 1 . 1 1 14 14 ASN N N 14 115.057 115.057 117.107 -2.050 19860 70 1 1 . 1 1 14 14 ASN HA H 14 4.779 4.779 4.776 0.003 19860 71 1 1 . 1 1 14 14 ASN C C 14 176.213 176.213 175.403 0.810 19860 72 1 1 . 1 1 14 14 ASN CA C 14 52.149 52.149 52.025 0.124 19860 73 1 1 . 1 1 14 14 ASN CB C 14 38.727 38.727 38.106 0.621 19860 74 1 1 . 1 1 14 14 ASN H H 14 7.737 7.737 7.882 -0.145 19860 75 1 1 . 1 1 15 15 GLY N N 15 110.453 110.453 107.111 3.342 19860 76 1 1 . 1 1 15 15 GLY C C 15 172.968 172.968 173.874 -0.906 19860 77 1 1 . 1 1 15 15 GLY CA C 15 45.136 45.136 45.325 -0.188 19860 78 1 1 . 1 1 15 15 GLY H H 15 8.744 8.744 8.395 0.349 19860 79 1 1 . 1 1 16 16 LYS N N 16 116.557 116.557 118.778 -2.221 19860 80 1 1 . 1 1 16 16 LYS HA H 16 4.992 4.992 4.844 0.148 19860 81 1 1 . 1 1 16 16 LYS C C 16 175.214 175.214 173.934 1.280 19860 82 1 1 . 1 1 16 16 LYS CA C 16 54.653 54.653 54.459 0.194 19860 83 1 1 . 1 1 16 16 LYS CB C 16 35.359 35.359 35.602 -0.243 19860 84 1 1 . 1 1 16 16 LYS H H 16 7.559 7.559 7.672 -0.113 19860 85 1 1 . 1 1 17 17 TYR N N 17 117.020 117.020 116.809 0.211 19860 86 1 1 . 1 1 17 17 TYR HA H 17 5.551 5.551 4.808 0.743 19860 87 1 1 . 1 1 17 17 TYR C C 17 175.491 175.491 174.393 1.098 19860 88 1 1 . 1 1 17 17 TYR CA C 17 56.255 56.255 57.435 -1.180 19860 89 1 1 . 1 1 17 17 TYR CB C 17 42.270 42.270 42.554 -0.284 19860 90 1 1 . 1 1 17 17 TYR H H 17 8.577 8.577 8.352 0.225 19860 91 1 1 . 1 1 18 18 VAL N N 18 121.032 121.032 121.682 -0.650 19860 92 1 1 . 1 1 18 18 VAL HA H 18 5.027 5.027 4.551 0.476 19860 93 1 1 . 1 1 18 18 VAL C C 18 174.046 174.046 174.409 -0.363 19860 94 1 1 . 1 1 18 18 VAL CA C 18 59.711 59.711 60.397 -0.686 19860 95 1 1 . 1 1 18 18 VAL CB C 18 35.076 35.076 34.592 0.484 19860 96 1 1 . 1 1 18 18 VAL H H 18 8.829 8.829 8.450 0.379 19860 97 1 1 . 1 1 19 19 LYS N N 19 130.251 130.251 129.829 0.422 19860 98 1 1 . 1 1 19 19 LYS HA H 19 4.055 4.055 4.503 -0.448 19860 99 1 1 . 1 1 19 19 LYS C C 19 175.628 175.628 175.128 0.500 19860 100 1 1 . 1 1 19 19 LYS CA C 19 56.975 56.975 55.636 1.339 19860 101 1 1 . 1 1 19 19 LYS CB C 19 33.380 33.380 32.915 0.465 19860 102 1 1 . 1 1 19 19 LYS H H 19 8.388 8.388 8.682 -0.294 19860 103 1 1 . 1 1 20 20 VAL N N 20 127.530 127.530 125.734 1.796 19860 104 1 1 . 1 1 20 20 VAL HA H 20 4.946 4.946 4.321 0.625 19860 105 1 1 . 1 1 20 20 VAL C C 20 173.581 173.581 174.088 -0.507 19860 106 1 1 . 1 1 20 20 VAL CA C 20 60.483 60.483 59.255 1.228 19860 107 1 1 . 1 1 20 20 VAL CB C 20 35.665 35.665 35.297 0.368 19860 108 1 1 . 1 1 20 20 VAL H H 20 9.428 9.428 8.901 0.527 19860 109 1 1 . 1 1 21 21 ARG N N 21 125.804 125.804 128.809 -3.005 19860 110 1 1 . 1 1 21 21 ARG HA H 21 4.716 4.716 4.509 0.207 19860 111 1 1 . 1 1 21 21 ARG C C 21 174.905 174.905 175.223 -0.318 19860 112 1 1 . 1 1 21 21 ARG CA C 21 54.864 54.864 54.911 -0.047 19860 113 1 1 . 1 1 21 21 ARG CB C 21 32.881 32.881 30.415 2.466 19860 114 1 1 . 1 1 21 21 ARG H H 21 9.084 9.084 8.582 0.502 19860 115 1 1 . 1 1 22 22 ILE N N 22 124.167 124.167 127.079 -2.912 19860 116 1 1 . 1 1 22 22 ILE HA H 22 4.624 4.624 4.326 0.298 19860 117 1 1 . 1 1 22 22 ILE C C 22 175.887 175.887 174.699 1.188 19860 118 1 1 . 1 1 22 22 ILE CA C 22 59.717 59.717 59.115 0.602 19860 119 1 1 . 1 1 22 22 ILE CB C 22 38.699 38.699 37.205 1.494 19860 120 1 1 . 1 1 22 22 ILE H H 22 8.554 8.554 8.990 -0.436 19860 121 1 1 . 1 1 23 23 LEU N N 23 128.981 128.981 129.889 -0.908 19860 122 1 1 . 1 1 23 23 LEU HA H 23 4.663 4.663 4.472 0.191 19860 123 1 1 . 1 1 23 23 LEU C C 23 176.174 176.174 175.975 0.199 19860 124 1 1 . 1 1 23 23 LEU CA C 23 53.897 53.897 53.958 -0.061 19860 125 1 1 . 1 1 23 23 LEU CB C 23 43.556 43.556 41.343 2.213 19860 126 1 1 . 1 1 23 23 LEU H H 23 8.835 8.835 9.209 -0.374 19860 127 1 1 . 1 1 24 24 LYS N N 24 122.797 122.797 125.999 -3.202 19860 128 1 1 . 1 1 24 24 LYS HA H 24 4.568 4.568 4.341 0.227 19860 129 1 1 . 1 1 24 24 LYS C C 24 176.407 176.407 175.622 0.785 19860 130 1 1 . 1 1 24 24 LYS CA C 24 55.808 55.808 55.913 -0.105 19860 131 1 1 . 1 1 24 24 LYS CB C 24 34.082 34.082 32.871 1.210 19860 132 1 1 . 1 1 24 24 LYS H H 24 8.566 8.566 8.880 -0.314 19860 133 1 1 . 1 1 25 25 SER N N 25 118.453 118.453 122.423 -3.970 19860 134 1 1 . 1 1 25 25 SER HA H 25 4.477 4.477 4.811 -0.334 19860 135 1 1 . 1 1 25 25 SER C C 25 175.038 175.038 174.224 0.814 19860 136 1 1 . 1 1 25 25 SER CA C 25 58.146 58.146 57.125 1.021 19860 137 1 1 . 1 1 25 25 SER CB C 25 63.977 63.977 62.896 1.081 19860 138 1 1 . 1 1 25 25 SER H H 25 8.668 8.668 8.448 0.220 19860 139 1 1 . 1 1 26 26 ARG N N 26 123.008 123.008 126.426 -3.418 19860 140 1 1 . 1 1 26 26 ARG HA H 26 4.284 4.284 4.396 -0.112 19860 141 1 1 . 1 1 26 26 ARG C C 26 176.640 176.640 176.853 -0.213 19860 142 1 1 . 1 1 26 26 ARG CA C 26 57.171 57.171 58.002 -0.831 19860 143 1 1 . 1 1 26 26 ARG CB C 26 30.748 30.748 30.329 0.419 19860 144 1 1 . 1 1 26 26 ARG H H 26 8.667 8.667 7.860 0.807 19860 145 1 1 . 1 1 27 27 ASP N N 27 118.281 118.281 117.216 1.065 19860 146 1 1 . 1 1 27 27 ASP HA H 27 4.598 4.598 4.469 0.129 19860 147 1 1 . 1 1 27 27 ASP C C 27 176.028 176.028 176.790 -0.762 19860 148 1 1 . 1 1 27 27 ASP CA C 27 54.657 54.657 56.191 -1.534 19860 149 1 1 . 1 1 27 27 ASP CB C 27 41.416 41.416 39.964 1.452 19860 150 1 1 . 1 1 27 27 ASP H H 27 8.246 8.246 8.504 -0.258 19860 151 1 1 . 1 1 28 28 ASP N N 28 118.646 118.646 119.234 -0.588 19860 152 1 1 . 1 1 28 28 ASP HA H 28 4.563 4.563 4.470 0.093 19860 153 1 1 . 1 1 28 28 ASP C C 28 176.165 176.165 176.361 -0.196 19860 154 1 1 . 1 1 28 28 ASP CA C 28 54.822 54.822 56.036 -1.214 19860 155 1 1 . 1 1 28 28 ASP CB C 28 41.150 41.150 41.942 -0.792 19860 156 1 1 . 1 1 28 28 ASP H H 28 8.034 8.034 8.038 -0.004 19860 157 1 1 . 1 1 29 29 ASN N N 29 117.519 117.519 113.302 4.217 19860 158 1 1 . 1 1 29 29 ASN HA H 29 4.734 4.734 4.718 0.016 19860 159 1 1 . 1 1 29 29 ASN C C 29 175.116 175.116 174.181 0.935 19860 160 1 1 . 1 1 29 29 ASN CA C 29 53.951 53.951 54.385 -0.434 19860 161 1 1 . 1 1 29 29 ASN CB C 29 38.779 38.779 39.439 -0.660 19860 162 1 1 . 1 1 29 29 ASN H H 29 8.473 8.473 8.193 0.280 19860 163 1 1 . 1 1 30 30 SER N N 30 114.910 114.910 115.081 -0.171 19860 164 1 1 . 1 1 30 30 SER HA H 30 4.493 4.493 4.567 -0.074 19860 165 1 1 . 1 1 30 30 SER C C 30 174.235 174.235 173.572 0.663 19860 166 1 1 . 1 1 30 30 SER CA C 30 58.669 58.669 58.263 0.406 19860 167 1 1 . 1 1 30 30 SER CB C 30 64.403 64.403 64.735 -0.332 19860 168 1 1 . 1 1 30 30 SER H H 30 8.206 8.206 8.393 -0.187 19860 169 1 1 . 1 1 31 31 VAL N N 31 121.640 121.640 123.072 -1.432 19860 170 1 1 . 1 1 31 31 VAL HA H 31 4.090 4.090 4.009 0.081 19860 171 1 1 . 1 1 31 31 VAL C C 31 175.873 175.873 174.861 1.012 19860 172 1 1 . 1 1 31 31 VAL CA C 31 62.939 62.939 62.060 0.879 19860 173 1 1 . 1 1 31 31 VAL CB C 31 32.878 32.878 32.684 0.194 19860 174 1 1 . 1 1 31 31 VAL H H 31 8.242 8.242 7.204 1.038 19860 175 1 1 . 1 1 32 32 GLU N N 32 125.144 125.144 127.024 -1.880 19860 176 1 1 . 1 1 32 32 GLU HA H 32 4.417 4.417 4.838 -0.421 19860 177 1 1 . 1 1 32 32 GLU C C 32 175.532 175.532 175.567 -0.035 19860 178 1 1 . 1 1 32 32 GLU CA C 32 56.886 56.886 55.184 1.702 19860 179 1 1 . 1 1 32 32 GLU CB C 32 31.059 31.059 30.423 0.636 19860 180 1 1 . 1 1 32 32 GLU H H 32 8.679 8.679 8.511 0.168 19860 181 1 1 . 1 1 33 33 LYS N N 33 120.222 120.222 126.101 -5.879 19860 182 1 1 . 1 1 33 33 LYS HA H 33 4.574 4.574 4.335 0.239 19860 183 1 1 . 1 1 33 33 LYS C C 33 174.194 174.194 175.295 -1.101 19860 184 1 1 . 1 1 33 33 LYS CA C 33 55.324 55.324 54.131 1.193 19860 185 1 1 . 1 1 33 33 LYS CB C 33 35.258 35.258 32.786 2.472 19860 186 1 1 . 1 1 33 33 LYS H H 33 8.229 8.229 8.700 -0.471 19860 187 1 1 . 1 1 34 34 TYR N N 34 121.014 121.014 122.648 -1.634 19860 188 1 1 . 1 1 34 34 TYR HA H 34 4.910 4.910 4.575 0.335 19860 189 1 1 . 1 1 34 34 TYR C C 34 175.667 175.667 176.748 -1.081 19860 190 1 1 . 1 1 34 34 TYR CA C 34 56.984 56.984 57.386 -0.402 19860 191 1 1 . 1 1 34 34 TYR CB C 34 40.036 40.036 39.037 0.999 19860 192 1 1 . 1 1 34 34 TYR H H 34 8.552 8.552 8.231 0.321 19860 193 1 1 . 1 1 35 35 VAL N N 35 124.624 124.624 122.370 2.254 19860 194 1 1 . 1 1 35 35 VAL HA H 35 4.301 4.301 3.976 0.325 19860 195 1 1 . 1 1 35 35 VAL C C 35 175.490 175.490 176.123 -0.633 19860 196 1 1 . 1 1 35 35 VAL CA C 35 61.869 61.869 62.837 -0.968 19860 197 1 1 . 1 1 35 35 VAL CB C 35 33.510 33.510 33.042 0.468 19860 198 1 1 . 1 1 35 35 VAL H H 35 9.337 9.337 8.362 0.975 19860 199 1 1 . 1 1 36 36 LEU N N 36 127.814 127.814 123.446 4.368 19860 200 1 1 . 1 1 36 36 LEU HA H 36 4.326 4.326 4.509 -0.183 19860 201 1 1 . 1 1 36 36 LEU C C 36 177.355 177.355 176.449 0.906 19860 202 1 1 . 1 1 36 36 LEU CA C 36 56.612 56.612 54.825 1.786 19860 203 1 1 . 1 1 36 36 LEU CB C 36 41.899 41.899 42.458 -0.559 19860 204 1 1 . 1 1 36 36 LEU H H 36 8.845 8.845 8.359 0.486 19860 205 1 1 . 1 1 37 37 THR N N 37 112.016 112.016 112.972 -0.956 19860 206 1 1 . 1 1 37 37 THR HA H 37 4.904 4.904 4.178 0.726 19860 207 1 1 . 1 1 37 37 THR C C 37 173.228 173.228 174.071 -0.843 19860 208 1 1 . 1 1 37 37 THR CA C 37 61.023 61.023 61.670 -0.647 19860 209 1 1 . 1 1 37 37 THR CB C 37 70.829 70.829 68.871 1.958 19860 210 1 1 . 1 1 37 37 THR H H 37 7.374 7.374 7.500 -0.126 19860 211 1 1 . 1 1 38 38 SER N N 38 111.049 111.049 119.080 -8.031 19860 212 1 1 . 1 1 38 38 SER HA H 38 4.635 4.635 4.669 -0.034 19860 213 1 1 . 1 1 38 38 SER C C 38 174.606 174.606 173.946 0.660 19860 214 1 1 . 1 1 38 38 SER CA C 38 57.957 57.957 56.915 1.042 19860 215 1 1 . 1 1 38 38 SER CB C 38 63.849 63.849 63.418 0.431 19860 216 1 1 . 1 1 38 38 SER H H 38 8.387 8.387 8.159 0.228 19860 217 1 1 . 1 1 39 39 HIS N N 39 122.230 122.230 123.679 -1.449 19860 218 1 1 . 1 1 39 39 HIS HA H 39 4.768 4.768 4.319 0.449 19860 219 1 1 . 1 1 39 39 HIS C C 39 173.143 173.143 174.461 -1.318 19860 220 1 1 . 1 1 39 39 HIS CA C 39 56.328 56.328 56.035 0.293 19860 221 1 1 . 1 1 39 39 HIS CB C 39 29.938 29.938 29.390 0.548 19860 222 1 1 . 1 1 39 39 HIS H H 39 8.424 8.424 7.350 1.074 19860 223 1 1 . 1 1 40 40 VAL N N 40 126.582 126.582 121.314 5.268 19860 224 1 1 . 1 1 40 40 VAL HA H 40 4.915 4.915 4.764 0.151 19860 225 1 1 . 1 1 40 40 VAL C C 40 175.763 175.763 175.494 0.269 19860 226 1 1 . 1 1 40 40 VAL CA C 40 60.612 60.612 60.278 0.334 19860 227 1 1 . 1 1 40 40 VAL CB C 40 34.085 34.085 32.850 1.235 19860 228 1 1 . 1 1 40 40 VAL H H 40 8.364 8.364 8.281 0.083 19860 229 1 1 . 1 1 41 41 SER N N 41 121.067 121.067 120.791 0.276 19860 230 1 1 . 1 1 41 41 SER HA H 41 4.947 4.947 4.952 -0.005 19860 231 1 1 . 1 1 41 41 SER C C 41 174.505 174.505 174.531 -0.026 19860 232 1 1 . 1 1 41 41 SER CA C 41 57.001 57.001 56.703 0.298 19860 233 1 1 . 1 1 41 41 SER CB C 41 65.504 65.504 66.044 -0.540 19860 234 1 1 . 1 1 41 41 SER H H 41 9.297 9.297 9.098 0.199 19860 235 1 1 . 1 1 42 42 LYS N N 42 123.812 123.812 121.132 2.680 19860 236 1 1 . 1 1 42 42 LYS HA H 42 4.905 4.905 4.171 0.734 19860 237 1 1 . 1 1 42 42 LYS C C 42 175.037 175.037 176.217 -1.180 19860 238 1 1 . 1 1 42 42 LYS CA C 42 56.600 56.600 57.539 -0.939 19860 239 1 1 . 1 1 42 42 LYS CB C 42 32.827 32.827 32.708 0.119 19860 240 1 1 . 1 1 42 42 LYS H H 42 8.962 8.962 8.543 0.419 19860 241 1 1 . 1 1 43 43 ASN N N 43 115.779 115.779 118.554 -2.775 19860 242 1 1 . 1 1 43 43 ASN HA H 43 4.906 4.906 4.587 0.319 19860 243 1 1 . 1 1 43 43 ASN C C 43 173.479 173.479 174.449 -0.970 19860 244 1 1 . 1 1 43 43 ASN CA C 43 51.840 51.840 53.257 -1.417 19860 245 1 1 . 1 1 43 43 ASN CB C 43 40.763 40.763 38.751 2.012 19860 246 1 1 . 1 1 43 43 ASN H H 43 8.053 8.053 7.997 0.056 19860 247 1 1 . 1 1 44 44 ARG N N 44 124.471 124.471 123.325 1.146 19860 248 1 1 . 1 1 44 44 ARG HA H 44 3.217 3.217 4.074 -0.857 19860 249 1 1 . 1 1 44 44 ARG C C 44 173.869 173.869 174.108 -0.239 19860 250 1 1 . 1 1 44 44 ARG CA C 44 54.034 54.034 53.729 0.305 19860 251 1 1 . 1 1 44 44 ARG CB C 44 29.917 29.917 29.739 0.178 19860 252 1 1 . 1 1 44 44 ARG H H 44 8.565 8.565 8.347 0.218 19860 253 1 1 . 1 1 45 45 PRO HA H 45 4.123 4.123 4.309 -0.186 19860 254 1 1 . 1 1 45 45 PRO C C 45 176.434 176.434 175.946 0.488 19860 255 1 1 . 1 1 45 45 PRO CA C 45 62.292 62.292 62.367 -0.075 19860 256 1 1 . 1 1 45 45 PRO CB C 45 32.110 32.110 32.358 -0.248 19860 257 1 1 . 1 1 46 46 LYS N N 46 122.529 122.529 123.073 -0.544 19860 258 1 1 . 1 1 46 46 LYS HA H 46 4.110 4.110 4.177 -0.067 19860 259 1 1 . 1 1 46 46 LYS C C 46 176.931 176.931 177.467 -0.536 19860 260 1 1 . 1 1 46 46 LYS CA C 46 57.000 57.000 57.207 -0.207 19860 261 1 1 . 1 1 46 46 LYS CB C 46 33.095 33.095 32.895 0.201 19860 262 1 1 . 1 1 46 46 LYS H H 46 8.470 8.470 8.297 0.173 19860 263 1 1 . 1 1 47 47 ASN N N 47 117.122 117.122 118.088 -0.966 19860 264 1 1 . 1 1 47 47 ASN HA H 47 4.589 4.589 4.624 -0.035 19860 265 1 1 . 1 1 47 47 ASN C C 47 174.011 174.011 175.383 -1.372 19860 266 1 1 . 1 1 47 47 ASN CA C 47 53.493 53.493 53.607 -0.114 19860 267 1 1 . 1 1 47 47 ASN CB C 47 37.868 37.868 38.522 -0.654 19860 268 1 1 . 1 1 47 47 ASN H H 47 8.745 8.745 8.254 0.491 19860 269 1 1 . 1 1 48 48 ALA N N 48 119.908 119.908 122.655 -2.747 19860 270 1 1 . 1 1 48 48 ALA HA H 48 4.609 4.609 4.381 0.228 19860 271 1 1 . 1 1 48 48 ALA C C 48 176.506 176.506 177.012 -0.506 19860 272 1 1 . 1 1 48 48 ALA CA C 48 51.136 51.136 51.686 -0.550 19860 273 1 1 . 1 1 48 48 ALA CB C 48 22.389 22.389 20.349 2.040 19860 274 1 1 . 1 1 48 48 ALA H H 48 7.394 7.394 7.455 -0.061 19860 275 1 1 . 1 1 49 49 ILE N N 49 123.192 123.192 121.296 1.896 19860 276 1 1 . 1 1 49 49 ILE HA H 49 4.140 4.140 4.302 -0.162 19860 277 1 1 . 1 1 49 49 ILE C C 49 174.731 174.731 175.306 -0.575 19860 278 1 1 . 1 1 49 49 ILE CA C 49 61.597 61.597 60.505 1.092 19860 279 1 1 . 1 1 49 49 ILE CB C 49 38.166 38.166 36.903 1.263 19860 280 1 1 . 1 1 49 49 ILE H H 49 8.878 8.878 8.619 0.259 19860 281 1 1 . 1 1 50 50 VAL N N 50 127.552 127.552 122.345 5.207 19860 282 1 1 . 1 1 50 50 VAL HA H 50 5.289 5.289 5.621 -0.332 19860 283 1 1 . 1 1 50 50 VAL C C 50 176.411 176.411 175.454 0.957 19860 284 1 1 . 1 1 50 50 VAL CA C 50 60.499 60.499 59.825 0.674 19860 285 1 1 . 1 1 50 50 VAL CB C 50 33.890 33.890 33.891 -0.001 19860 286 1 1 . 1 1 50 50 VAL H H 50 8.371 8.371 8.244 0.127 19860 287 1 1 . 1 1 51 51 ILE N N 51 126.906 126.906 126.315 0.591 19860 288 1 1 . 1 1 51 51 ILE HA H 51 4.691 4.691 4.437 0.254 19860 289 1 1 . 1 1 51 51 ILE C C 51 175.322 175.322 175.155 0.167 19860 290 1 1 . 1 1 51 51 ILE CA C 51 59.439 59.439 60.153 -0.714 19860 291 1 1 . 1 1 51 51 ILE CB C 51 41.189 41.189 40.788 0.401 19860 292 1 1 . 1 1 51 51 ILE H H 51 9.314 9.314 9.121 0.193 19860 293 1 1 . 1 1 52 52 LYS N N 52 123.523 123.523 127.457 -3.934 19860 294 1 1 . 1 1 52 52 LYS HA H 52 4.686 4.686 4.372 0.314 19860 295 1 1 . 1 1 52 52 LYS C C 52 178.237 178.237 177.995 0.242 19860 296 1 1 . 1 1 52 52 LYS CA C 52 56.120 56.120 56.411 -0.291 19860 297 1 1 . 1 1 52 52 LYS CB C 52 33.392 33.392 33.522 -0.130 19860 298 1 1 . 1 1 52 52 LYS H H 52 8.737 8.737 8.777 -0.040 19860 299 1 1 . 1 1 53 53 MET N N 53 119.701 119.701 123.244 -3.543 19860 300 1 1 . 1 1 53 53 MET HA H 53 3.908 3.908 4.023 -0.115 19860 301 1 1 . 1 1 53 53 MET C C 53 177.401 177.401 178.242 -0.841 19860 302 1 1 . 1 1 53 53 MET CA C 53 58.725 58.725 59.917 -1.192 19860 303 1 1 . 1 1 53 53 MET CB C 53 33.383 33.383 32.214 1.169 19860 304 1 1 . 1 1 53 53 MET H H 53 8.799 8.799 8.345 0.454 19860 305 1 1 . 1 1 54 54 ASP N N 54 113.357 113.357 118.162 -4.805 19860 306 1 1 . 1 1 54 54 ASP HA H 54 4.288 4.288 4.350 -0.062 19860 307 1 1 . 1 1 54 54 ASP C C 54 176.649 176.649 177.161 -0.512 19860 308 1 1 . 1 1 54 54 ASP CA C 54 56.682 56.682 56.816 -0.134 19860 309 1 1 . 1 1 54 54 ASP CB C 54 40.670 40.670 40.592 0.078 19860 310 1 1 . 1 1 54 54 ASP H H 54 8.262 8.262 8.504 -0.242 19860 311 1 1 . 1 1 55 55 ASN N N 55 114.935 114.935 116.312 -1.377 19860 312 1 1 . 1 1 55 55 ASN HA H 55 5.001 5.001 4.699 0.302 19860 313 1 1 . 1 1 55 55 ASN C C 55 175.032 175.032 175.781 -0.749 19860 314 1 1 . 1 1 55 55 ASN CA C 55 52.897 52.897 53.980 -1.083 19860 315 1 1 . 1 1 55 55 ASN CB C 55 39.184 39.184 39.657 -0.473 19860 316 1 1 . 1 1 55 55 ASN H H 55 7.971 7.971 7.993 -0.022 19860 317 1 1 . 1 1 56 56 LEU N N 56 120.385 120.385 123.643 -3.258 19860 318 1 1 . 1 1 56 56 LEU HA H 56 4.488 4.488 4.495 -0.007 19860 319 1 1 . 1 1 56 56 LEU C C 56 174.131 174.131 174.779 -0.648 19860 320 1 1 . 1 1 56 56 LEU CA C 56 52.912 52.912 52.317 0.595 19860 321 1 1 . 1 1 56 56 LEU CB C 56 41.958 41.958 40.457 1.501 19860 322 1 1 . 1 1 56 56 LEU H H 56 7.331 7.331 7.503 -0.172 19860 323 1 1 . 1 1 57 57 PRO HA H 57 4.617 4.617 4.604 0.013 19860 324 1 1 . 1 1 57 57 PRO C C 57 178.627 178.627 177.678 0.949 19860 325 1 1 . 1 1 57 57 PRO CA C 57 62.751 62.751 62.594 0.157 19860 326 1 1 . 1 1 57 57 PRO CB C 57 32.718 32.718 32.515 0.203 19860 327 1 1 . 1 1 58 58 ILE N N 58 125.295 125.295 119.004 6.291 19860 328 1 1 . 1 1 58 58 ILE HA H 58 3.783 3.783 3.836 -0.053 19860 329 1 1 . 1 1 58 58 ILE C C 58 176.776 176.776 177.358 -0.582 19860 330 1 1 . 1 1 58 58 ILE CA C 58 64.583 64.583 64.537 0.047 19860 331 1 1 . 1 1 58 58 ILE CB C 58 37.959 37.959 37.339 0.620 19860 332 1 1 . 1 1 58 58 ILE H H 58 8.882 8.882 8.423 0.459 19860 333 1 1 . 1 1 59 59 GLU N N 59 118.869 118.869 120.622 -1.753 19860 334 1 1 . 1 1 59 59 GLU HA H 59 4.254 4.254 4.125 0.129 19860 335 1 1 . 1 1 59 59 GLU C C 59 179.370 179.370 178.972 0.398 19860 336 1 1 . 1 1 59 59 GLU CA C 59 59.757 59.757 59.341 0.416 19860 337 1 1 . 1 1 59 59 GLU CB C 59 29.053 29.053 28.218 0.835 19860 338 1 1 . 1 1 59 59 GLU H H 59 9.348 9.348 8.938 0.410 19860 339 1 1 . 1 1 60 60 VAL N N 60 118.990 118.990 121.344 -2.354 19860 340 1 1 . 1 1 60 60 VAL HA H 60 3.772 3.772 3.637 0.135 19860 341 1 1 . 1 1 60 60 VAL C C 60 177.451 177.451 178.182 -0.731 19860 342 1 1 . 1 1 60 60 VAL CA C 60 65.331 65.331 66.179 -0.848 19860 343 1 1 . 1 1 60 60 VAL CB C 60 31.869 31.869 31.517 0.352 19860 344 1 1 . 1 1 60 60 VAL H H 60 7.290 7.290 7.380 -0.090 19860 345 1 1 . 1 1 61 61 LYS N N 61 120.824 120.824 119.496 1.328 19860 346 1 1 . 1 1 61 61 LYS HA H 61 3.782 3.782 3.922 -0.140 19860 347 1 1 . 1 1 61 61 LYS C C 61 179.444 179.444 178.780 0.664 19860 348 1 1 . 1 1 61 61 LYS CA C 61 61.060 61.060 59.999 1.061 19860 349 1 1 . 1 1 61 61 LYS CB C 61 32.196 32.196 31.951 0.245 19860 350 1 1 . 1 1 61 61 LYS H H 61 8.043 8.043 8.235 -0.192 19860 351 1 1 . 1 1 62 62 ASP N N 62 119.231 119.231 120.634 -1.403 19860 352 1 1 . 1 1 62 62 ASP HA H 62 4.427 4.427 4.246 0.181 19860 353 1 1 . 1 1 62 62 ASP C C 62 178.420 178.420 177.980 0.440 19860 354 1 1 . 1 1 62 62 ASP CA C 62 57.851 57.851 57.613 0.238 19860 355 1 1 . 1 1 62 62 ASP CB C 62 40.780 40.780 40.513 0.267 19860 356 1 1 . 1 1 62 62 ASP H H 62 8.766 8.766 8.168 0.598 19860 357 1 1 . 1 1 63 63 LYS N N 63 119.623 119.623 119.344 0.279 19860 358 1 1 . 1 1 63 63 LYS HA H 63 4.025 4.025 4.074 -0.049 19860 359 1 1 . 1 1 63 63 LYS C C 63 178.866 178.866 179.372 -0.506 19860 360 1 1 . 1 1 63 63 LYS CA C 63 59.667 59.667 58.692 0.975 19860 361 1 1 . 1 1 63 63 LYS CB C 63 32.929 32.929 32.148 0.781 19860 362 1 1 . 1 1 63 63 LYS H H 63 7.391 7.391 7.931 -0.540 19860 363 1 1 . 1 1 64 64 LEU N N 64 118.806 118.806 119.329 -0.523 19860 364 1 1 . 1 1 64 64 LEU HA H 64 4.216 4.216 4.029 0.187 19860 365 1 1 . 1 1 64 64 LEU C C 64 178.793 178.793 178.571 0.222 19860 366 1 1 . 1 1 64 64 LEU CA C 64 58.011 58.011 57.959 0.052 19860 367 1 1 . 1 1 64 64 LEU CB C 64 42.251 42.251 41.319 0.931 19860 368 1 1 . 1 1 64 64 LEU H H 64 8.357 8.357 8.205 0.152 19860 369 1 1 . 1 1 65 65 THR N N 65 115.102 115.102 115.426 -0.324 19860 370 1 1 . 1 1 65 65 THR HA H 65 3.920 3.920 3.557 0.363 19860 371 1 1 . 1 1 65 65 THR C C 65 176.410 176.410 176.474 -0.064 19860 372 1 1 . 1 1 65 65 THR CA C 65 66.705 66.705 67.039 -0.334 19860 373 1 1 . 1 1 65 65 THR CB C 65 68.876 68.876 68.423 0.453 19860 374 1 1 . 1 1 65 65 THR H H 65 8.343 8.343 8.153 0.190 19860 375 1 1 . 1 1 66 66 ARG N N 66 119.405 119.405 119.710 -0.305 19860 376 1 1 . 1 1 66 66 ARG HA H 66 4.067 4.067 4.124 -0.057 19860 377 1 1 . 1 1 66 66 ARG C C 66 177.988 177.988 177.425 0.563 19860 378 1 1 . 1 1 66 66 ARG CA C 66 58.961 58.961 58.824 0.137 19860 379 1 1 . 1 1 66 66 ARG CB C 66 30.302 30.302 30.016 0.286 19860 380 1 1 . 1 1 66 66 ARG H H 66 7.832 7.832 8.360 -0.528 19860 381 1 1 . 1 1 67 67 PHE N N 67 117.304 117.304 119.751 -2.447 19860 382 1 1 . 1 1 67 67 PHE HA H 67 4.323 4.323 4.396 -0.073 19860 383 1 1 . 1 1 67 67 PHE C C 67 177.141 177.141 176.104 1.037 19860 384 1 1 . 1 1 67 67 PHE CA C 67 59.989 59.989 60.514 -0.525 19860 385 1 1 . 1 1 67 67 PHE CB C 67 39.269 39.269 40.305 -1.036 19860 386 1 1 . 1 1 67 67 PHE H H 67 8.190 8.190 7.714 0.476 19860 387 1 1 . 1 1 68 68 PHE N N 68 114.297 114.297 112.450 1.847 19860 388 1 1 . 1 1 68 68 PHE HA H 68 4.696 4.696 4.730 -0.034 19860 389 1 1 . 1 1 68 68 PHE C C 68 175.969 175.969 175.088 0.881 19860 390 1 1 . 1 1 68 68 PHE CA C 68 59.112 59.112 57.606 1.506 19860 391 1 1 . 1 1 68 68 PHE CB C 68 40.100 40.100 39.522 0.578 19860 392 1 1 . 1 1 68 68 PHE H H 68 8.087 8.087 7.557 0.530 19860 393 1 1 . 1 1 69 69 LEU N N 69 119.594 119.594 120.280 -0.686 19860 394 1 1 . 1 1 69 69 LEU HA H 69 4.476 4.476 4.374 0.102 19860 395 1 1 . 1 1 69 69 LEU C C 69 177.425 177.425 177.270 0.155 19860 396 1 1 . 1 1 69 69 LEU CA C 69 55.805 55.805 55.828 -0.023 19860 397 1 1 . 1 1 69 69 LEU CB C 69 41.399 41.399 43.168 -1.769 19860 398 1 1 . 1 1 69 69 LEU H H 69 7.823 7.823 7.027 0.796 19860 399 1 1 . 1 1 70 70 LEU N N 70 119.723 119.723 114.987 4.736 19860 400 1 1 . 1 1 70 70 LEU HA H 70 4.341 4.341 3.830 0.511 19860 401 1 1 . 1 1 70 70 LEU C C 70 177.443 177.443 175.534 1.909 19860 402 1 1 . 1 1 70 70 LEU CA C 70 55.288 55.288 55.539 -0.252 19860 403 1 1 . 1 1 70 70 LEU CB C 70 42.205 42.205 39.263 2.942 19860 404 1 1 . 1 1 70 70 LEU H H 70 7.905 7.905 7.994 -0.089 19860 405 1 1 . 1 1 71 71 GLU N N 71 120.533 120.533 118.191 2.342 19860 406 1 1 . 1 1 71 71 GLU HA H 71 4.200 4.200 4.018 0.182 19860 407 1 1 . 1 1 71 71 GLU C C 71 176.250 176.250 175.267 0.983 19860 408 1 1 . 1 1 71 71 GLU CA C 71 56.609 56.609 56.853 -0.244 19860 409 1 1 . 1 1 71 71 GLU CB C 71 30.475 30.475 30.333 0.142 19860 410 1 1 . 1 1 71 71 GLU H H 71 8.244 8.244 7.936 0.308 19860 411 1 1 . 1 1 72 72 HIS N N 72 119.783 119.783 121.563 -1.780 19860 412 1 1 . 1 1 72 72 HIS HA H 72 4.623 4.623 4.863 -0.240 19860 413 1 1 . 1 1 72 72 HIS C C 72 174.645 174.645 173.997 0.648 19860 414 1 1 . 1 1 72 72 HIS CA C 72 55.737 55.737 55.694 0.043 19860 415 1 1 . 1 1 72 72 HIS CB C 72 29.901 29.901 30.476 -0.575 19860 416 1 1 . 1 1 72 72 HIS H H 72 8.403 8.403 8.284 0.119 19860 417 1 1 . 1 1 73 73 HIS N N 73 120.199 120.199 123.209 -3.010 19860 418 1 1 . 1 1 73 73 HIS HA H 73 4.625 4.625 4.716 -0.091 19860 419 1 1 . 1 1 73 73 HIS C C 73 174.552 174.552 174.805 -0.253 19860 420 1 1 . 1 1 73 73 HIS CA C 73 55.754 55.754 57.474 -1.720 19860 421 1 1 . 1 1 73 73 HIS CB C 73 29.976 29.976 31.264 -1.288 19860 422 1 1 . 1 1 73 73 HIS H H 73 8.539 8.539 8.654 -0.115 19860 423 1 1 . 1 1 74 74 HIS N N 74 120.457 120.457 117.922 2.535 19860 424 1 1 . 1 1 74 74 HIS HA H 74 4.655 4.655 4.525 0.130 19860 425 1 1 . 1 1 74 74 HIS C C 74 174.638 174.638 174.037 0.601 19860 426 1 1 . 1 1 74 74 HIS CA C 74 55.771 55.771 55.411 0.360 19860 427 1 1 . 1 1 74 74 HIS CB C 74 29.916 29.916 29.672 0.244 19860 428 1 1 . 1 1 74 74 HIS H H 74 8.681 8.681 8.409 0.272 19860 429 1 1 . 1 1 75 75 HIS N N 75 120.782 120.782 122.630 -1.848 19860 430 1 1 . 1 1 75 75 HIS HA H 75 4.671 4.671 4.508 0.163 19860 431 1 1 . 1 1 75 75 HIS C C 75 174.525 174.525 174.086 0.439 19860 432 1 1 . 1 1 75 75 HIS CA C 75 55.758 55.758 56.101 -0.343 19860 433 1 1 . 1 1 75 75 HIS CB C 75 29.934 29.934 30.668 -0.734 19860 434 1 1 . 1 1 75 75 HIS H H 75 8.755 8.755 7.994 0.761 19860 435 1 1 . 1 1 76 76 HIS N N 76 120.737 120.737 122.860 -2.123 19860 436 1 1 . 1 1 76 76 HIS HA H 76 4.666 4.666 4.180 0.486 19860 437 1 1 . 1 1 76 76 HIS C C 76 173.873 173.873 173.481 0.392 19860 438 1 1 . 1 1 76 76 HIS CA C 76 55.921 55.921 56.737 -0.816 19860 439 1 1 . 1 1 76 76 HIS CB C 76 29.848 29.848 29.189 0.658 19860 440 1 1 . 1 1 76 76 HIS H H 76 8.693 8.693 8.508 0.185 19860 441 1 2 . 1 1 2 2 LEU HA H 2 4.435 4.435 4.611 -0.176 19860 442 1 2 . 1 1 2 2 LEU C C 2 176.773 176.773 175.968 0.805 19860 443 1 2 . 1 1 2 2 LEU CA C 2 55.299 55.299 54.717 0.582 19860 444 1 2 . 1 1 2 2 LEU CB C 2 42.529 42.529 43.479 -0.950 19860 445 1 2 . 1 1 3 3 LYS N N 3 123.220 123.220 123.260 -0.040 19860 446 1 2 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.601 -0.276 19860 447 1 2 . 1 1 3 3 LYS C C 3 176.224 176.224 175.849 0.375 19860 448 1 2 . 1 1 3 3 LYS CA C 3 56.344 56.344 56.056 0.288 19860 449 1 2 . 1 1 3 3 LYS CB C 3 33.335 33.335 32.881 0.454 19860 450 1 2 . 1 1 3 3 LYS H H 3 8.520 8.520 8.558 -0.038 19860 451 1 2 . 1 1 4 4 HIS N N 4 119.727 119.727 123.276 -3.549 19860 452 1 2 . 1 1 4 4 HIS HA H 4 4.721 4.721 4.789 -0.068 19860 453 1 2 . 1 1 4 4 HIS C C 4 175.318 175.318 174.439 0.879 19860 454 1 2 . 1 1 4 4 HIS CA C 4 55.941 55.941 56.794 -0.853 19860 455 1 2 . 1 1 4 4 HIS CB C 4 30.636 30.636 31.274 -0.638 19860 456 1 2 . 1 1 4 4 HIS H H 4 8.486 8.486 8.515 -0.029 19860 457 1 2 . 1 1 5 5 GLY N N 5 110.318 110.318 104.904 5.414 19860 458 1 2 . 1 1 5 5 GLY C C 5 172.966 172.966 173.296 -0.330 19860 459 1 2 . 1 1 5 5 GLY CA C 5 45.146 45.146 44.698 0.448 19860 460 1 2 . 1 1 5 5 GLY H H 5 8.602 8.602 7.905 0.697 19860 461 1 2 . 1 1 6 6 LYS N N 6 120.808 120.808 124.542 -3.734 19860 462 1 2 . 1 1 6 6 LYS HA H 6 4.438 4.438 4.780 -0.342 19860 463 1 2 . 1 1 6 6 LYS C C 6 175.168 175.168 175.268 -0.100 19860 464 1 2 . 1 1 6 6 LYS CA C 6 56.179 56.179 54.527 1.652 19860 465 1 2 . 1 1 6 6 LYS CB C 6 34.277 34.277 36.994 -2.717 19860 466 1 2 . 1 1 6 6 LYS H H 6 8.275 8.275 8.463 -0.188 19860 467 1 2 . 1 1 7 7 TYR N N 7 118.666 118.666 121.528 -2.862 19860 468 1 2 . 1 1 7 7 TYR HA H 7 5.513 5.513 5.067 0.446 19860 469 1 2 . 1 1 7 7 TYR C C 7 176.004 176.004 176.309 -0.305 19860 470 1 2 . 1 1 7 7 TYR CA C 7 56.971 56.971 58.428 -1.458 19860 471 1 2 . 1 1 7 7 TYR CB C 7 41.032 41.032 38.652 2.380 19860 472 1 2 . 1 1 7 7 TYR H H 7 8.351 8.351 8.749 -0.398 19860 473 1 2 . 1 1 8 8 VAL N N 8 115.920 115.920 120.082 -4.162 19860 474 1 2 . 1 1 8 8 VAL HA H 8 4.860 4.860 4.596 0.264 19860 475 1 2 . 1 1 8 8 VAL C C 8 173.220 173.220 173.515 -0.295 19860 476 1 2 . 1 1 8 8 VAL CA C 8 59.694 59.694 59.498 0.195 19860 477 1 2 . 1 1 8 8 VAL CB C 8 35.246 35.246 34.505 0.741 19860 478 1 2 . 1 1 8 8 VAL H H 8 9.057 9.057 8.977 0.080 19860 479 1 2 . 1 1 9 9 TYR N N 9 118.786 118.786 117.577 1.209 19860 480 1 2 . 1 1 9 9 TYR HA H 9 5.515 5.515 5.532 -0.017 19860 481 1 2 . 1 1 9 9 TYR C C 9 175.072 175.072 175.797 -0.725 19860 482 1 2 . 1 1 9 9 TYR CA C 9 56.576 56.576 56.071 0.505 19860 483 1 2 . 1 1 9 9 TYR CB C 9 41.532 41.532 42.197 -0.665 19860 484 1 2 . 1 1 9 9 TYR H H 9 9.117 9.117 8.508 0.609 19860 485 1 2 . 1 1 10 10 ILE N N 10 121.376 121.376 122.007 -0.631 19860 486 1 2 . 1 1 10 10 ILE HA H 10 4.887 4.887 4.900 -0.013 19860 487 1 2 . 1 1 10 10 ILE C C 10 176.044 176.044 176.362 -0.318 19860 488 1 2 . 1 1 10 10 ILE CA C 10 58.948 58.948 58.359 0.589 19860 489 1 2 . 1 1 10 10 ILE CB C 10 38.537 38.537 38.038 0.499 19860 490 1 2 . 1 1 10 10 ILE H H 10 9.514 9.514 9.163 0.351 19860 491 1 2 . 1 1 11 11 ASP N N 11 126.501 126.501 128.953 -2.452 19860 492 1 2 . 1 1 11 11 ASP HA H 11 4.390 4.390 4.304 0.086 19860 493 1 2 . 1 1 11 11 ASP C C 11 175.850 175.850 176.371 -0.521 19860 494 1 2 . 1 1 11 11 ASP CA C 11 53.377 53.377 54.014 -0.638 19860 495 1 2 . 1 1 11 11 ASP CB C 11 41.808 41.808 39.904 1.904 19860 496 1 2 . 1 1 11 11 ASP H H 11 8.676 8.676 8.717 -0.041 19860 497 1 2 . 1 1 12 12 LEU N N 12 127.505 127.505 124.158 3.347 19860 498 1 2 . 1 1 12 12 LEU HA H 12 4.319 4.319 4.023 0.296 19860 499 1 2 . 1 1 12 12 LEU C C 12 176.132 176.132 177.512 -1.380 19860 500 1 2 . 1 1 12 12 LEU CA C 12 55.439 55.439 56.373 -0.934 19860 501 1 2 . 1 1 12 12 LEU CB C 12 40.312 40.312 42.108 -1.796 19860 502 1 2 . 1 1 12 12 LEU H H 12 7.692 7.692 7.768 -0.076 19860 503 1 2 . 1 1 13 13 ASN N N 13 114.351 114.351 112.627 1.724 19860 504 1 2 . 1 1 13 13 ASN HA H 13 4.391 4.391 4.276 0.115 19860 505 1 2 . 1 1 13 13 ASN C C 13 174.440 174.440 175.051 -0.611 19860 506 1 2 . 1 1 13 13 ASN CA C 13 54.482 54.482 54.550 -0.068 19860 507 1 2 . 1 1 13 13 ASN CB C 13 37.861 37.861 37.847 0.014 19860 508 1 2 . 1 1 13 13 ASN H H 13 9.187 9.187 7.622 1.565 19860 509 1 2 . 1 1 14 14 ASN N N 14 115.057 115.057 117.371 -2.314 19860 510 1 2 . 1 1 14 14 ASN HA H 14 4.779 4.779 4.619 0.160 19860 511 1 2 . 1 1 14 14 ASN C C 14 176.213 176.213 175.448 0.765 19860 512 1 2 . 1 1 14 14 ASN CA C 14 52.149 52.149 53.048 -0.899 19860 513 1 2 . 1 1 14 14 ASN CB C 14 38.727 38.727 38.047 0.680 19860 514 1 2 . 1 1 14 14 ASN H H 14 7.737 7.737 8.127 -0.390 19860 515 1 2 . 1 1 15 15 GLY N N 15 110.453 110.453 105.587 4.866 19860 516 1 2 . 1 1 15 15 GLY C C 15 172.968 172.968 173.706 -0.738 19860 517 1 2 . 1 1 15 15 GLY CA C 15 45.136 45.136 44.838 0.298 19860 518 1 2 . 1 1 15 15 GLY H H 15 8.744 8.744 8.180 0.564 19860 519 1 2 . 1 1 16 16 LYS N N 16 116.557 116.557 118.506 -1.949 19860 520 1 2 . 1 1 16 16 LYS HA H 16 4.992 4.992 5.027 -0.035 19860 521 1 2 . 1 1 16 16 LYS C C 16 175.214 175.214 174.092 1.122 19860 522 1 2 . 1 1 16 16 LYS CA C 16 54.653 54.653 55.147 -0.494 19860 523 1 2 . 1 1 16 16 LYS CB C 16 35.359 35.359 36.043 -0.684 19860 524 1 2 . 1 1 16 16 LYS H H 16 7.559 7.559 7.616 -0.057 19860 525 1 2 . 1 1 17 17 TYR N N 17 117.020 117.020 118.092 -1.072 19860 526 1 2 . 1 1 17 17 TYR HA H 17 5.551 5.551 4.895 0.656 19860 527 1 2 . 1 1 17 17 TYR C C 17 175.491 175.491 174.319 1.172 19860 528 1 2 . 1 1 17 17 TYR CA C 17 56.255 56.255 57.243 -0.988 19860 529 1 2 . 1 1 17 17 TYR CB C 17 42.270 42.270 42.698 -0.428 19860 530 1 2 . 1 1 17 17 TYR H H 17 8.577 8.577 9.155 -0.578 19860 531 1 2 . 1 1 18 18 VAL N N 18 121.032 121.032 122.082 -1.050 19860 532 1 2 . 1 1 18 18 VAL HA H 18 5.027 5.027 4.541 0.486 19860 533 1 2 . 1 1 18 18 VAL C C 18 174.046 174.046 174.214 -0.168 19860 534 1 2 . 1 1 18 18 VAL CA C 18 59.711 59.711 60.450 -0.739 19860 535 1 2 . 1 1 18 18 VAL CB C 18 35.076 35.076 34.558 0.518 19860 536 1 2 . 1 1 18 18 VAL H H 18 8.829 8.829 8.542 0.287 19860 537 1 2 . 1 1 19 19 LYS N N 19 130.251 130.251 130.019 0.232 19860 538 1 2 . 1 1 19 19 LYS HA H 19 4.055 4.055 4.842 -0.787 19860 539 1 2 . 1 1 19 19 LYS C C 19 175.628 175.628 175.304 0.324 19860 540 1 2 . 1 1 19 19 LYS CA C 19 56.975 56.975 54.996 1.979 19860 541 1 2 . 1 1 19 19 LYS CB C 19 33.380 33.380 33.656 -0.276 19860 542 1 2 . 1 1 19 19 LYS H H 19 8.388 8.388 8.220 0.168 19860 543 1 2 . 1 1 20 20 VAL N N 20 127.530 127.530 124.998 2.532 19860 544 1 2 . 1 1 20 20 VAL HA H 20 4.946 4.946 4.447 0.499 19860 545 1 2 . 1 1 20 20 VAL C C 20 173.581 173.581 173.874 -0.293 19860 546 1 2 . 1 1 20 20 VAL CA C 20 60.483 60.483 59.376 1.107 19860 547 1 2 . 1 1 20 20 VAL CB C 20 35.665 35.665 35.577 0.088 19860 548 1 2 . 1 1 20 20 VAL H H 20 9.428 9.428 9.063 0.365 19860 549 1 2 . 1 1 21 21 ARG N N 21 125.804 125.804 128.778 -2.974 19860 550 1 2 . 1 1 21 21 ARG HA H 21 4.716 4.716 4.436 0.280 19860 551 1 2 . 1 1 21 21 ARG C C 21 174.905 174.905 175.322 -0.417 19860 552 1 2 . 1 1 21 21 ARG CA C 21 54.864 54.864 55.240 -0.376 19860 553 1 2 . 1 1 21 21 ARG CB C 21 32.881 32.881 30.211 2.670 19860 554 1 2 . 1 1 21 21 ARG H H 21 9.084 9.084 8.673 0.411 19860 555 1 2 . 1 1 22 22 ILE N N 22 124.167 124.167 127.453 -3.286 19860 556 1 2 . 1 1 22 22 ILE HA H 22 4.624 4.624 4.222 0.402 19860 557 1 2 . 1 1 22 22 ILE C C 22 175.887 175.887 174.528 1.359 19860 558 1 2 . 1 1 22 22 ILE CA C 22 59.717 59.717 59.246 0.471 19860 559 1 2 . 1 1 22 22 ILE CB C 22 38.699 38.699 36.715 1.984 19860 560 1 2 . 1 1 22 22 ILE H H 22 8.554 8.554 9.058 -0.504 19860 561 1 2 . 1 1 23 23 LEU N N 23 128.981 128.981 129.842 -0.861 19860 562 1 2 . 1 1 23 23 LEU HA H 23 4.663 4.663 4.714 -0.051 19860 563 1 2 . 1 1 23 23 LEU C C 23 176.174 176.174 175.580 0.594 19860 564 1 2 . 1 1 23 23 LEU CA C 23 53.897 53.897 53.653 0.244 19860 565 1 2 . 1 1 23 23 LEU CB C 23 43.556 43.556 41.799 1.757 19860 566 1 2 . 1 1 23 23 LEU H H 23 8.835 8.835 8.958 -0.123 19860 567 1 2 . 1 1 24 24 LYS N N 24 122.797 122.797 126.283 -3.486 19860 568 1 2 . 1 1 24 24 LYS HA H 24 4.568 4.568 4.279 0.289 19860 569 1 2 . 1 1 24 24 LYS C C 24 176.407 176.407 175.435 0.972 19860 570 1 2 . 1 1 24 24 LYS CA C 24 55.808 55.808 55.420 0.388 19860 571 1 2 . 1 1 24 24 LYS CB C 24 34.082 34.082 33.283 0.799 19860 572 1 2 . 1 1 24 24 LYS H H 24 8.566 8.566 8.750 -0.184 19860 573 1 2 . 1 1 25 25 SER N N 25 118.453 118.453 123.776 -5.323 19860 574 1 2 . 1 1 25 25 SER HA H 25 4.477 4.477 4.486 -0.009 19860 575 1 2 . 1 1 25 25 SER C C 25 175.038 175.038 173.880 1.158 19860 576 1 2 . 1 1 25 25 SER CA C 25 58.146 58.146 57.475 0.671 19860 577 1 2 . 1 1 25 25 SER CB C 25 63.977 63.977 62.743 1.234 19860 578 1 2 . 1 1 25 25 SER H H 25 8.668 8.668 8.858 -0.190 19860 579 1 2 . 1 1 26 26 ARG N N 26 123.008 123.008 125.974 -2.966 19860 580 1 2 . 1 1 26 26 ARG HA H 26 4.284 4.284 4.322 -0.038 19860 581 1 2 . 1 1 26 26 ARG C C 26 176.640 176.640 176.475 0.165 19860 582 1 2 . 1 1 26 26 ARG CA C 26 57.171 57.171 58.283 -1.112 19860 583 1 2 . 1 1 26 26 ARG CB C 26 30.748 30.748 30.484 0.264 19860 584 1 2 . 1 1 26 26 ARG H H 26 8.667 8.667 7.658 1.009 19860 585 1 2 . 1 1 27 27 ASP N N 27 118.281 118.281 118.040 0.241 19860 586 1 2 . 1 1 27 27 ASP HA H 27 4.598 4.598 4.463 0.135 19860 587 1 2 . 1 1 27 27 ASP C C 27 176.028 176.028 176.946 -0.918 19860 588 1 2 . 1 1 27 27 ASP CA C 27 54.657 54.657 56.612 -1.955 19860 589 1 2 . 1 1 27 27 ASP CB C 27 41.416 41.416 40.227 1.189 19860 590 1 2 . 1 1 27 27 ASP H H 27 8.246 8.246 8.673 -0.427 19860 591 1 2 . 1 1 28 28 ASP N N 28 118.646 118.646 117.984 0.662 19860 592 1 2 . 1 1 28 28 ASP HA H 28 4.563 4.563 4.606 -0.043 19860 593 1 2 . 1 1 28 28 ASP C C 28 176.165 176.165 175.813 0.352 19860 594 1 2 . 1 1 28 28 ASP CA C 28 54.822 54.822 56.041 -1.219 19860 595 1 2 . 1 1 28 28 ASP CB C 28 41.150 41.150 41.659 -0.509 19860 596 1 2 . 1 1 28 28 ASP H H 28 8.034 8.034 8.048 -0.014 19860 597 1 2 . 1 1 29 29 ASN N N 29 117.519 117.519 113.357 4.162 19860 598 1 2 . 1 1 29 29 ASN HA H 29 4.734 4.734 4.747 -0.013 19860 599 1 2 . 1 1 29 29 ASN C C 29 175.116 175.116 173.854 1.262 19860 600 1 2 . 1 1 29 29 ASN CA C 29 53.951 53.951 54.408 -0.457 19860 601 1 2 . 1 1 29 29 ASN CB C 29 38.779 38.779 39.407 -0.628 19860 602 1 2 . 1 1 29 29 ASN H H 29 8.473 8.473 8.260 0.213 19860 603 1 2 . 1 1 30 30 SER N N 30 114.910 114.910 114.690 0.220 19860 604 1 2 . 1 1 30 30 SER HA H 30 4.493 4.493 4.589 -0.096 19860 605 1 2 . 1 1 30 30 SER C C 30 174.235 174.235 173.125 1.110 19860 606 1 2 . 1 1 30 30 SER CA C 30 58.669 58.669 58.194 0.474 19860 607 1 2 . 1 1 30 30 SER CB C 30 64.403 64.403 63.982 0.421 19860 608 1 2 . 1 1 30 30 SER H H 30 8.206 8.206 8.182 0.024 19860 609 1 2 . 1 1 31 31 VAL N N 31 121.640 121.640 124.493 -2.853 19860 610 1 2 . 1 1 31 31 VAL HA H 31 4.090 4.090 3.946 0.144 19860 611 1 2 . 1 1 31 31 VAL C C 31 175.873 175.873 174.641 1.232 19860 612 1 2 . 1 1 31 31 VAL CA C 31 62.939 62.939 62.357 0.582 19860 613 1 2 . 1 1 31 31 VAL CB C 31 32.878 32.878 31.759 1.119 19860 614 1 2 . 1 1 31 31 VAL H H 31 8.242 8.242 7.704 0.538 19860 615 1 2 . 1 1 32 32 GLU N N 32 125.144 125.144 128.990 -3.846 19860 616 1 2 . 1 1 32 32 GLU HA H 32 4.417 4.417 4.651 -0.234 19860 617 1 2 . 1 1 32 32 GLU C C 32 175.532 175.532 175.217 0.315 19860 618 1 2 . 1 1 32 32 GLU CA C 32 56.886 56.886 55.118 1.768 19860 619 1 2 . 1 1 32 32 GLU CB C 32 31.059 31.059 29.787 1.272 19860 620 1 2 . 1 1 32 32 GLU H H 32 8.679 8.679 8.627 0.052 19860 621 1 2 . 1 1 33 33 LYS N N 33 120.222 120.222 126.462 -6.240 19860 622 1 2 . 1 1 33 33 LYS HA H 33 4.574 4.574 4.282 0.292 19860 623 1 2 . 1 1 33 33 LYS C C 33 174.194 174.194 175.255 -1.061 19860 624 1 2 . 1 1 33 33 LYS CA C 33 55.324 55.324 55.255 0.070 19860 625 1 2 . 1 1 33 33 LYS CB C 33 35.258 35.258 33.174 2.084 19860 626 1 2 . 1 1 33 33 LYS H H 33 8.229 8.229 8.655 -0.426 19860 627 1 2 . 1 1 34 34 TYR N N 34 121.014 121.014 123.476 -2.462 19860 628 1 2 . 1 1 34 34 TYR HA H 34 4.910 4.910 4.782 0.128 19860 629 1 2 . 1 1 34 34 TYR C C 34 175.667 175.667 176.721 -1.054 19860 630 1 2 . 1 1 34 34 TYR CA C 34 56.984 56.984 57.703 -0.719 19860 631 1 2 . 1 1 34 34 TYR CB C 34 40.036 40.036 39.328 0.708 19860 632 1 2 . 1 1 34 34 TYR H H 34 8.552 8.552 8.240 0.312 19860 633 1 2 . 1 1 35 35 VAL N N 35 124.624 124.624 122.051 2.573 19860 634 1 2 . 1 1 35 35 VAL HA H 35 4.301 4.301 3.961 0.340 19860 635 1 2 . 1 1 35 35 VAL C C 35 175.490 175.490 176.531 -1.041 19860 636 1 2 . 1 1 35 35 VAL CA C 35 61.869 61.869 62.941 -1.073 19860 637 1 2 . 1 1 35 35 VAL CB C 35 33.510 33.510 33.098 0.412 19860 638 1 2 . 1 1 35 35 VAL H H 35 9.337 9.337 8.270 1.067 19860 639 1 2 . 1 1 36 36 LEU N N 36 127.814 127.814 125.666 2.148 19860 640 1 2 . 1 1 36 36 LEU HA H 36 4.326 4.326 4.491 -0.165 19860 641 1 2 . 1 1 36 36 LEU C C 36 177.355 177.355 176.490 0.865 19860 642 1 2 . 1 1 36 36 LEU CA C 36 56.612 56.612 55.748 0.864 19860 643 1 2 . 1 1 36 36 LEU CB C 36 41.899 41.899 41.811 0.088 19860 644 1 2 . 1 1 36 36 LEU H H 36 8.845 8.845 8.501 0.344 19860 645 1 2 . 1 1 37 37 THR N N 37 112.016 112.016 113.763 -1.747 19860 646 1 2 . 1 1 37 37 THR HA H 37 4.904 4.904 4.286 0.618 19860 647 1 2 . 1 1 37 37 THR C C 37 173.228 173.228 174.350 -1.122 19860 648 1 2 . 1 1 37 37 THR CA C 37 61.023 61.023 61.272 -0.249 19860 649 1 2 . 1 1 37 37 THR CB C 37 70.829 70.829 69.675 1.153 19860 650 1 2 . 1 1 37 37 THR H H 37 7.374 7.374 7.549 -0.175 19860 651 1 2 . 1 1 38 38 SER N N 38 111.049 111.049 118.575 -7.526 19860 652 1 2 . 1 1 38 38 SER HA H 38 4.635 4.635 4.797 -0.162 19860 653 1 2 . 1 1 38 38 SER C C 38 174.606 174.606 174.068 0.538 19860 654 1 2 . 1 1 38 38 SER CA C 38 57.957 57.957 57.071 0.886 19860 655 1 2 . 1 1 38 38 SER CB C 38 63.849 63.849 63.730 0.119 19860 656 1 2 . 1 1 38 38 SER H H 38 8.387 8.387 8.300 0.087 19860 657 1 2 . 1 1 39 39 HIS N N 39 122.230 122.230 121.828 0.402 19860 658 1 2 . 1 1 39 39 HIS HA H 39 4.768 4.768 4.440 0.328 19860 659 1 2 . 1 1 39 39 HIS C C 39 173.143 173.143 174.700 -1.557 19860 660 1 2 . 1 1 39 39 HIS CA C 39 56.328 56.328 56.719 -0.391 19860 661 1 2 . 1 1 39 39 HIS CB C 39 29.938 29.938 30.650 -0.712 19860 662 1 2 . 1 1 39 39 HIS H H 39 8.424 8.424 7.576 0.848 19860 663 1 2 . 1 1 40 40 VAL N N 40 126.582 126.582 120.656 5.926 19860 664 1 2 . 1 1 40 40 VAL HA H 40 4.915 4.915 4.812 0.103 19860 665 1 2 . 1 1 40 40 VAL C C 40 175.763 175.763 175.266 0.497 19860 666 1 2 . 1 1 40 40 VAL CA C 40 60.612 60.612 60.124 0.488 19860 667 1 2 . 1 1 40 40 VAL CB C 40 34.085 34.085 34.070 0.015 19860 668 1 2 . 1 1 40 40 VAL H H 40 8.364 8.364 8.379 -0.015 19860 669 1 2 . 1 1 41 41 SER N N 41 121.067 121.067 118.885 2.182 19860 670 1 2 . 1 1 41 41 SER HA H 41 4.947 4.947 4.988 -0.041 19860 671 1 2 . 1 1 41 41 SER C C 41 174.505 174.505 173.784 0.721 19860 672 1 2 . 1 1 41 41 SER CA C 41 57.001 57.001 56.370 0.631 19860 673 1 2 . 1 1 41 41 SER CB C 41 65.504 65.504 65.351 0.153 19860 674 1 2 . 1 1 41 41 SER H H 41 9.297 9.297 9.181 0.116 19860 675 1 2 . 1 1 42 42 LYS N N 42 123.812 123.812 121.530 2.282 19860 676 1 2 . 1 1 42 42 LYS HA H 42 4.905 4.905 4.627 0.278 19860 677 1 2 . 1 1 42 42 LYS C C 42 175.037 175.037 175.759 -0.722 19860 678 1 2 . 1 1 42 42 LYS CA C 42 56.600 56.600 55.490 1.110 19860 679 1 2 . 1 1 42 42 LYS CB C 42 32.827 32.827 32.405 0.422 19860 680 1 2 . 1 1 42 42 LYS H H 42 8.962 8.962 8.570 0.392 19860 681 1 2 . 1 1 43 43 ASN N N 43 115.779 115.779 119.449 -3.670 19860 682 1 2 . 1 1 43 43 ASN HA H 43 4.906 4.906 4.800 0.106 19860 683 1 2 . 1 1 43 43 ASN C C 43 173.479 173.479 173.744 -0.265 19860 684 1 2 . 1 1 43 43 ASN CA C 43 51.840 51.840 52.456 -0.617 19860 685 1 2 . 1 1 43 43 ASN CB C 43 40.763 40.763 40.954 -0.191 19860 686 1 2 . 1 1 43 43 ASN H H 43 8.053 8.053 7.509 0.544 19860 687 1 2 . 1 1 44 44 ARG N N 44 124.471 124.471 121.024 3.447 19860 688 1 2 . 1 1 44 44 ARG HA H 44 3.217 3.217 3.904 -0.687 19860 689 1 2 . 1 1 44 44 ARG C C 44 173.869 173.869 173.719 0.150 19860 690 1 2 . 1 1 44 44 ARG CA C 44 54.034 54.034 52.845 1.189 19860 691 1 2 . 1 1 44 44 ARG CB C 44 29.917 29.917 30.532 -0.615 19860 692 1 2 . 1 1 44 44 ARG H H 44 8.565 8.565 8.380 0.185 19860 693 1 2 . 1 1 45 45 PRO HA H 45 4.123 4.123 4.430 -0.307 19860 694 1 2 . 1 1 45 45 PRO C C 45 176.434 176.434 176.517 -0.083 19860 695 1 2 . 1 1 45 45 PRO CA C 45 62.292 62.292 62.130 0.162 19860 696 1 2 . 1 1 45 45 PRO CB C 45 32.110 32.110 32.247 -0.137 19860 697 1 2 . 1 1 46 46 LYS N N 46 122.529 122.529 123.120 -0.591 19860 698 1 2 . 1 1 46 46 LYS HA H 46 4.110 4.110 4.253 -0.143 19860 699 1 2 . 1 1 46 46 LYS C C 46 176.931 176.931 176.646 0.285 19860 700 1 2 . 1 1 46 46 LYS CA C 46 57.000 57.000 57.224 -0.224 19860 701 1 2 . 1 1 46 46 LYS CB C 46 33.095 33.095 32.928 0.167 19860 702 1 2 . 1 1 46 46 LYS H H 46 8.470 8.470 8.336 0.134 19860 703 1 2 . 1 1 47 47 ASN N N 47 117.122 117.122 117.849 -0.727 19860 704 1 2 . 1 1 47 47 ASN HA H 47 4.589 4.589 4.750 -0.161 19860 705 1 2 . 1 1 47 47 ASN C C 47 174.011 174.011 174.031 -0.020 19860 706 1 2 . 1 1 47 47 ASN CA C 47 53.493 53.493 52.938 0.555 19860 707 1 2 . 1 1 47 47 ASN CB C 47 37.868 37.868 38.499 -0.631 19860 708 1 2 . 1 1 47 47 ASN H H 47 8.745 8.745 8.228 0.517 19860 709 1 2 . 1 1 48 48 ALA N N 48 119.908 119.908 121.617 -1.709 19860 710 1 2 . 1 1 48 48 ALA HA H 48 4.609 4.609 4.570 0.039 19860 711 1 2 . 1 1 48 48 ALA C C 48 176.506 176.506 176.239 0.267 19860 712 1 2 . 1 1 48 48 ALA CA C 48 51.136 51.136 50.735 0.401 19860 713 1 2 . 1 1 48 48 ALA CB C 48 22.389 22.389 21.752 0.637 19860 714 1 2 . 1 1 48 48 ALA H H 48 7.394 7.394 7.294 0.100 19860 715 1 2 . 1 1 49 49 ILE N N 49 123.192 123.192 121.708 1.484 19860 716 1 2 . 1 1 49 49 ILE HA H 49 4.140 4.140 4.301 -0.161 19860 717 1 2 . 1 1 49 49 ILE C C 49 174.731 174.731 175.332 -0.601 19860 718 1 2 . 1 1 49 49 ILE CA C 49 61.597 61.597 60.478 1.119 19860 719 1 2 . 1 1 49 49 ILE CB C 49 38.166 38.166 36.839 1.327 19860 720 1 2 . 1 1 49 49 ILE H H 49 8.878 8.878 8.721 0.157 19860 721 1 2 . 1 1 50 50 VAL N N 50 127.552 127.552 124.766 2.786 19860 722 1 2 . 1 1 50 50 VAL HA H 50 5.289 5.289 5.521 -0.232 19860 723 1 2 . 1 1 50 50 VAL C C 50 176.411 176.411 175.393 1.018 19860 724 1 2 . 1 1 50 50 VAL CA C 50 60.499 60.499 60.226 0.273 19860 725 1 2 . 1 1 50 50 VAL CB C 50 33.890 33.890 33.192 0.698 19860 726 1 2 . 1 1 50 50 VAL H H 50 8.371 8.371 8.318 0.053 19860 727 1 2 . 1 1 51 51 ILE N N 51 126.906 126.906 128.362 -1.456 19860 728 1 2 . 1 1 51 51 ILE HA H 51 4.691 4.691 4.439 0.252 19860 729 1 2 . 1 1 51 51 ILE C C 51 175.322 175.322 175.200 0.122 19860 730 1 2 . 1 1 51 51 ILE CA C 51 59.439 59.439 60.286 -0.848 19860 731 1 2 . 1 1 51 51 ILE CB C 51 41.189 41.189 40.525 0.664 19860 732 1 2 . 1 1 51 51 ILE H H 51 9.314 9.314 9.227 0.087 19860 733 1 2 . 1 1 52 52 LYS N N 52 123.523 123.523 125.997 -2.474 19860 734 1 2 . 1 1 52 52 LYS HA H 52 4.686 4.686 4.492 0.194 19860 735 1 2 . 1 1 52 52 LYS C C 52 178.237 178.237 177.818 0.419 19860 736 1 2 . 1 1 52 52 LYS CA C 52 56.120 56.120 55.572 0.548 19860 737 1 2 . 1 1 52 52 LYS CB C 52 33.392 33.392 33.956 -0.564 19860 738 1 2 . 1 1 52 52 LYS H H 52 8.737 8.737 8.715 0.022 19860 739 1 2 . 1 1 53 53 MET N N 53 119.701 119.701 122.484 -2.783 19860 740 1 2 . 1 1 53 53 MET HA H 53 3.908 3.908 4.029 -0.121 19860 741 1 2 . 1 1 53 53 MET C C 53 177.401 177.401 178.012 -0.611 19860 742 1 2 . 1 1 53 53 MET CA C 53 58.725 58.725 60.031 -1.306 19860 743 1 2 . 1 1 53 53 MET CB C 53 33.383 33.383 32.352 1.031 19860 744 1 2 . 1 1 53 53 MET H H 53 8.799 8.799 9.166 -0.367 19860 745 1 2 . 1 1 54 54 ASP N N 54 113.357 113.357 118.437 -5.080 19860 746 1 2 . 1 1 54 54 ASP HA H 54 4.288 4.288 4.348 -0.060 19860 747 1 2 . 1 1 54 54 ASP C C 54 176.649 176.649 177.247 -0.598 19860 748 1 2 . 1 1 54 54 ASP CA C 54 56.682 56.682 56.508 0.174 19860 749 1 2 . 1 1 54 54 ASP CB C 54 40.670 40.670 40.707 -0.037 19860 750 1 2 . 1 1 54 54 ASP H H 54 8.262 8.262 8.474 -0.212 19860 751 1 2 . 1 1 55 55 ASN N N 55 114.935 114.935 116.247 -1.312 19860 752 1 2 . 1 1 55 55 ASN HA H 55 5.001 5.001 4.698 0.303 19860 753 1 2 . 1 1 55 55 ASN C C 55 175.032 175.032 175.110 -0.078 19860 754 1 2 . 1 1 55 55 ASN CA C 55 52.897 52.897 53.879 -0.982 19860 755 1 2 . 1 1 55 55 ASN CB C 55 39.184 39.184 39.436 -0.252 19860 756 1 2 . 1 1 55 55 ASN H H 55 7.971 7.971 7.888 0.083 19860 757 1 2 . 1 1 56 56 LEU N N 56 120.385 120.385 122.040 -1.655 19860 758 1 2 . 1 1 56 56 LEU HA H 56 4.488 4.488 4.719 -0.231 19860 759 1 2 . 1 1 56 56 LEU C C 56 174.131 174.131 174.714 -0.583 19860 760 1 2 . 1 1 56 56 LEU CA C 56 52.912 52.912 51.159 1.753 19860 761 1 2 . 1 1 56 56 LEU CB C 56 41.958 41.958 41.760 0.198 19860 762 1 2 . 1 1 56 56 LEU H H 56 7.331 7.331 7.640 -0.309 19860 763 1 2 . 1 1 57 57 PRO HA H 57 4.617 4.617 4.541 0.076 19860 764 1 2 . 1 1 57 57 PRO C C 57 178.627 178.627 177.694 0.933 19860 765 1 2 . 1 1 57 57 PRO CA C 57 62.751 62.751 63.216 -0.465 19860 766 1 2 . 1 1 57 57 PRO CB C 57 32.718 32.718 32.153 0.565 19860 767 1 2 . 1 1 58 58 ILE N N 58 125.295 125.295 119.050 6.245 19860 768 1 2 . 1 1 58 58 ILE HA H 58 3.783 3.783 3.783 -0.000 19860 769 1 2 . 1 1 58 58 ILE C C 58 176.776 176.776 177.634 -0.858 19860 770 1 2 . 1 1 58 58 ILE CA C 58 64.583 64.583 64.453 0.130 19860 771 1 2 . 1 1 58 58 ILE CB C 58 37.959 37.959 37.356 0.603 19860 772 1 2 . 1 1 58 58 ILE H H 58 8.882 8.882 8.409 0.473 19860 773 1 2 . 1 1 59 59 GLU N N 59 118.869 118.869 120.145 -1.276 19860 774 1 2 . 1 1 59 59 GLU HA H 59 4.254 4.254 4.056 0.198 19860 775 1 2 . 1 1 59 59 GLU C C 59 179.370 179.370 178.758 0.612 19860 776 1 2 . 1 1 59 59 GLU CA C 59 59.757 59.757 60.069 -0.312 19860 777 1 2 . 1 1 59 59 GLU CB C 59 29.053 29.053 28.622 0.430 19860 778 1 2 . 1 1 59 59 GLU H H 59 9.348 9.348 8.757 0.591 19860 779 1 2 . 1 1 60 60 VAL N N 60 118.990 118.990 120.070 -1.080 19860 780 1 2 . 1 1 60 60 VAL HA H 60 3.772 3.772 3.596 0.176 19860 781 1 2 . 1 1 60 60 VAL C C 60 177.451 177.451 177.761 -0.310 19860 782 1 2 . 1 1 60 60 VAL CA C 60 65.331 65.331 66.793 -1.462 19860 783 1 2 . 1 1 60 60 VAL CB C 60 31.869 31.869 31.477 0.392 19860 784 1 2 . 1 1 60 60 VAL H H 60 7.290 7.290 7.486 -0.196 19860 785 1 2 . 1 1 61 61 LYS N N 61 120.824 120.824 119.828 0.996 19860 786 1 2 . 1 1 61 61 LYS HA H 61 3.782 3.782 3.852 -0.070 19860 787 1 2 . 1 1 61 61 LYS C C 61 179.444 179.444 178.793 0.651 19860 788 1 2 . 1 1 61 61 LYS CA C 61 61.060 61.060 60.026 1.034 19860 789 1 2 . 1 1 61 61 LYS CB C 61 32.196 32.196 31.881 0.315 19860 790 1 2 . 1 1 61 61 LYS H H 61 8.043 8.043 7.882 0.161 19860 791 1 2 . 1 1 62 62 ASP N N 62 119.231 119.231 120.213 -0.982 19860 792 1 2 . 1 1 62 62 ASP HA H 62 4.427 4.427 4.318 0.109 19860 793 1 2 . 1 1 62 62 ASP C C 62 178.420 178.420 178.230 0.190 19860 794 1 2 . 1 1 62 62 ASP CA C 62 57.851 57.851 57.774 0.077 19860 795 1 2 . 1 1 62 62 ASP CB C 62 40.780 40.780 40.784 -0.004 19860 796 1 2 . 1 1 62 62 ASP H H 62 8.766 8.766 8.414 0.352 19860 797 1 2 . 1 1 63 63 LYS N N 63 119.623 119.623 119.427 0.196 19860 798 1 2 . 1 1 63 63 LYS HA H 63 4.025 4.025 4.029 -0.004 19860 799 1 2 . 1 1 63 63 LYS C C 63 178.866 178.866 179.291 -0.425 19860 800 1 2 . 1 1 63 63 LYS CA C 63 59.667 59.667 59.033 0.634 19860 801 1 2 . 1 1 63 63 LYS CB C 63 32.929 32.929 32.226 0.703 19860 802 1 2 . 1 1 63 63 LYS H H 63 7.391 7.391 7.792 -0.401 19860 803 1 2 . 1 1 64 64 LEU N N 64 118.806 118.806 118.628 0.178 19860 804 1 2 . 1 1 64 64 LEU HA H 64 4.216 4.216 3.745 0.471 19860 805 1 2 . 1 1 64 64 LEU C C 64 178.793 178.793 178.779 0.014 19860 806 1 2 . 1 1 64 64 LEU CA C 64 58.011 58.011 57.689 0.322 19860 807 1 2 . 1 1 64 64 LEU CB C 64 42.251 42.251 41.141 1.110 19860 808 1 2 . 1 1 64 64 LEU H H 64 8.357 8.357 8.281 0.076 19860 809 1 2 . 1 1 65 65 THR N N 65 115.102 115.102 115.970 -0.868 19860 810 1 2 . 1 1 65 65 THR HA H 65 3.920 3.920 3.729 0.191 19860 811 1 2 . 1 1 65 65 THR C C 65 176.410 176.410 176.371 0.039 19860 812 1 2 . 1 1 65 65 THR CA C 65 66.705 66.705 67.126 -0.421 19860 813 1 2 . 1 1 65 65 THR CB C 65 68.876 68.876 68.562 0.314 19860 814 1 2 . 1 1 65 65 THR H H 65 8.343 8.343 8.125 0.218 19860 815 1 2 . 1 1 66 66 ARG N N 66 119.405 119.405 120.358 -0.953 19860 816 1 2 . 1 1 66 66 ARG HA H 66 4.067 4.067 4.005 0.062 19860 817 1 2 . 1 1 66 66 ARG C C 66 177.988 177.988 177.834 0.154 19860 818 1 2 . 1 1 66 66 ARG CA C 66 58.961 58.961 59.083 -0.122 19860 819 1 2 . 1 1 66 66 ARG CB C 66 30.302 30.302 30.288 0.014 19860 820 1 2 . 1 1 66 66 ARG H H 66 7.832 7.832 8.173 -0.341 19860 821 1 2 . 1 1 67 67 PHE N N 67 117.304 117.304 119.090 -1.786 19860 822 1 2 . 1 1 67 67 PHE HA H 67 4.323 4.323 4.401 -0.078 19860 823 1 2 . 1 1 67 67 PHE C C 67 177.141 177.141 176.244 0.897 19860 824 1 2 . 1 1 67 67 PHE CA C 67 59.989 59.989 60.697 -0.708 19860 825 1 2 . 1 1 67 67 PHE CB C 67 39.269 39.269 40.281 -1.012 19860 826 1 2 . 1 1 67 67 PHE H H 67 8.190 8.190 7.871 0.319 19860 827 1 2 . 1 1 68 68 PHE N N 68 114.297 114.297 113.092 1.205 19860 828 1 2 . 1 1 68 68 PHE HA H 68 4.696 4.696 4.758 -0.062 19860 829 1 2 . 1 1 68 68 PHE C C 68 175.969 175.969 176.607 -0.638 19860 830 1 2 . 1 1 68 68 PHE CA C 68 59.112 59.112 57.943 1.169 19860 831 1 2 . 1 1 68 68 PHE CB C 68 40.100 40.100 39.348 0.752 19860 832 1 2 . 1 1 68 68 PHE H H 68 8.087 8.087 7.945 0.142 19860 833 1 2 . 1 1 69 69 LEU N N 69 119.594 119.594 123.047 -3.453 19860 834 1 2 . 1 1 69 69 LEU HA H 69 4.476 4.476 4.251 0.225 19860 835 1 2 . 1 1 69 69 LEU C C 69 177.425 177.425 178.154 -0.729 19860 836 1 2 . 1 1 69 69 LEU CA C 69 55.805 55.805 56.486 -0.681 19860 837 1 2 . 1 1 69 69 LEU CB C 69 41.399 41.399 41.741 -0.342 19860 838 1 2 . 1 1 69 69 LEU H H 69 7.823 7.823 7.622 0.201 19860 839 1 2 . 1 1 70 70 LEU N N 70 119.723 119.723 118.115 1.608 19860 840 1 2 . 1 1 70 70 LEU HA H 70 4.341 4.341 3.889 0.452 19860 841 1 2 . 1 1 70 70 LEU C C 70 177.443 177.443 178.062 -0.619 19860 842 1 2 . 1 1 70 70 LEU CA C 70 55.288 55.288 57.307 -2.019 19860 843 1 2 . 1 1 70 70 LEU CB C 70 42.205 42.205 41.773 0.432 19860 844 1 2 . 1 1 70 70 LEU H H 70 7.905 7.905 8.015 -0.110 19860 845 1 2 . 1 1 71 71 GLU N N 71 120.533 120.533 115.093 5.440 19860 846 1 2 . 1 1 71 71 GLU HA H 71 4.200 4.200 4.311 -0.111 19860 847 1 2 . 1 1 71 71 GLU C C 71 176.250 176.250 177.263 -1.013 19860 848 1 2 . 1 1 71 71 GLU CA C 71 56.609 56.609 56.134 0.475 19860 849 1 2 . 1 1 71 71 GLU CB C 71 30.475 30.475 30.532 -0.057 19860 850 1 2 . 1 1 71 71 GLU H H 71 8.244 8.244 7.677 0.567 19860 851 1 2 . 1 1 72 72 HIS N N 72 119.783 119.783 116.270 3.513 19860 852 1 2 . 1 1 72 72 HIS HA H 72 4.623 4.623 4.317 0.306 19860 853 1 2 . 1 1 72 72 HIS C C 72 174.645 174.645 175.802 -1.157 19860 854 1 2 . 1 1 72 72 HIS CA C 72 55.737 55.737 59.317 -3.580 19860 855 1 2 . 1 1 72 72 HIS CB C 72 29.901 29.901 28.056 1.845 19860 856 1 2 . 1 1 72 72 HIS H H 72 8.403 8.403 7.834 0.569 19860 857 1 2 . 1 1 73 73 HIS N N 73 120.199 120.199 120.145 0.054 19860 858 1 2 . 1 1 73 73 HIS HA H 73 4.625 4.625 4.737 -0.112 19860 859 1 2 . 1 1 73 73 HIS C C 73 174.552 174.552 174.722 -0.170 19860 860 1 2 . 1 1 73 73 HIS CA C 73 55.754 55.754 56.370 -0.616 19860 861 1 2 . 1 1 73 73 HIS CB C 73 29.976 29.976 32.930 -2.954 19860 862 1 2 . 1 1 73 73 HIS H H 73 8.539 8.539 8.259 0.280 19860 863 1 2 . 1 1 74 74 HIS N N 74 120.457 120.457 119.336 1.121 19860 864 1 2 . 1 1 74 74 HIS HA H 74 4.655 4.655 4.389 0.266 19860 865 1 2 . 1 1 74 74 HIS C C 74 174.638 174.638 173.361 1.277 19860 866 1 2 . 1 1 74 74 HIS CA C 74 55.771 55.771 56.349 -0.578 19860 867 1 2 . 1 1 74 74 HIS CB C 74 29.916 29.916 29.266 0.650 19860 868 1 2 . 1 1 74 74 HIS H H 74 8.681 8.681 8.605 0.076 19860 869 1 2 . 1 1 75 75 HIS N N 75 120.782 120.782 122.459 -1.677 19860 870 1 2 . 1 1 75 75 HIS HA H 75 4.671 4.671 4.309 0.362 19860 871 1 2 . 1 1 75 75 HIS C C 75 174.525 174.525 173.542 0.983 19860 872 1 2 . 1 1 75 75 HIS CA C 75 55.758 55.758 55.661 0.097 19860 873 1 2 . 1 1 75 75 HIS CB C 75 29.934 29.934 31.043 -1.109 19860 874 1 2 . 1 1 75 75 HIS H H 75 8.755 8.755 8.480 0.275 19860 875 1 2 . 1 1 76 76 HIS N N 76 120.737 120.737 120.019 0.718 19860 876 1 2 . 1 1 76 76 HIS HA H 76 4.666 4.666 4.432 0.234 19860 877 1 2 . 1 1 76 76 HIS C C 76 173.873 173.873 174.219 -0.346 19860 878 1 2 . 1 1 76 76 HIS CA C 76 55.921 55.921 55.809 0.112 19860 879 1 2 . 1 1 76 76 HIS CB C 76 29.848 29.848 30.028 -0.180 19860 880 1 2 . 1 1 76 76 HIS H H 76 8.693 8.693 8.160 0.533 19860 881 1 3 . 1 1 2 2 LEU HA H 2 4.435 4.435 4.624 -0.189 19860 882 1 3 . 1 1 2 2 LEU C C 2 176.773 176.773 177.984 -1.211 19860 883 1 3 . 1 1 2 2 LEU CA C 2 55.299 55.299 55.037 0.262 19860 884 1 3 . 1 1 2 2 LEU CB C 2 42.529 42.529 42.621 -0.092 19860 885 1 3 . 1 1 3 3 LYS N N 3 123.220 123.220 121.162 2.058 19860 886 1 3 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.372 -0.047 19860 887 1 3 . 1 1 3 3 LYS C C 3 176.224 176.224 176.023 0.201 19860 888 1 3 . 1 1 3 3 LYS CA C 3 56.344 56.344 56.399 -0.055 19860 889 1 3 . 1 1 3 3 LYS CB C 3 33.335 33.335 31.945 1.390 19860 890 1 3 . 1 1 3 3 LYS H H 3 8.520 8.520 8.074 0.446 19860 891 1 3 . 1 1 4 4 HIS N N 4 119.727 119.727 121.839 -2.112 19860 892 1 3 . 1 1 4 4 HIS HA H 4 4.721 4.721 4.734 -0.013 19860 893 1 3 . 1 1 4 4 HIS C C 4 175.318 175.318 174.562 0.756 19860 894 1 3 . 1 1 4 4 HIS CA C 4 55.941 55.941 55.539 0.402 19860 895 1 3 . 1 1 4 4 HIS CB C 4 30.636 30.636 30.803 -0.167 19860 896 1 3 . 1 1 4 4 HIS H H 4 8.486 8.486 8.748 -0.262 19860 897 1 3 . 1 1 5 5 GLY N N 5 110.318 110.318 107.209 3.109 19860 898 1 3 . 1 1 5 5 GLY C C 5 172.966 172.966 172.073 0.893 19860 899 1 3 . 1 1 5 5 GLY CA C 5 45.146 45.146 45.307 -0.161 19860 900 1 3 . 1 1 5 5 GLY H H 5 8.602 8.602 7.801 0.801 19860 901 1 3 . 1 1 6 6 LYS N N 6 120.808 120.808 121.047 -0.239 19860 902 1 3 . 1 1 6 6 LYS HA H 6 4.438 4.438 4.756 -0.318 19860 903 1 3 . 1 1 6 6 LYS C C 6 175.168 175.168 174.109 1.059 19860 904 1 3 . 1 1 6 6 LYS CA C 6 56.179 56.179 53.263 2.916 19860 905 1 3 . 1 1 6 6 LYS CB C 6 34.277 34.277 36.160 -1.883 19860 906 1 3 . 1 1 6 6 LYS H H 6 8.275 8.275 8.472 -0.197 19860 907 1 3 . 1 1 7 7 TYR N N 7 118.666 118.666 121.396 -2.730 19860 908 1 3 . 1 1 7 7 TYR HA H 7 5.513 5.513 5.295 0.218 19860 909 1 3 . 1 1 7 7 TYR C C 7 176.004 176.004 176.273 -0.269 19860 910 1 3 . 1 1 7 7 TYR CA C 7 56.971 56.971 57.566 -0.595 19860 911 1 3 . 1 1 7 7 TYR CB C 7 41.032 41.032 38.539 2.493 19860 912 1 3 . 1 1 7 7 TYR H H 7 8.351 8.351 8.620 -0.269 19860 913 1 3 . 1 1 8 8 VAL N N 8 115.920 115.920 117.776 -1.856 19860 914 1 3 . 1 1 8 8 VAL HA H 8 4.860 4.860 4.666 0.194 19860 915 1 3 . 1 1 8 8 VAL C C 8 173.220 173.220 173.703 -0.483 19860 916 1 3 . 1 1 8 8 VAL CA C 8 59.694 59.694 59.486 0.208 19860 917 1 3 . 1 1 8 8 VAL CB C 8 35.246 35.246 34.888 0.358 19860 918 1 3 . 1 1 8 8 VAL H H 8 9.057 9.057 8.841 0.216 19860 919 1 3 . 1 1 9 9 TYR N N 9 118.786 118.786 117.717 1.069 19860 920 1 3 . 1 1 9 9 TYR HA H 9 5.515 5.515 5.649 -0.134 19860 921 1 3 . 1 1 9 9 TYR C C 9 175.072 175.072 175.910 -0.838 19860 922 1 3 . 1 1 9 9 TYR CA C 9 56.576 56.576 56.008 0.568 19860 923 1 3 . 1 1 9 9 TYR CB C 9 41.532 41.532 41.994 -0.462 19860 924 1 3 . 1 1 9 9 TYR H H 9 9.117 9.117 8.329 0.788 19860 925 1 3 . 1 1 10 10 ILE N N 10 121.376 121.376 122.573 -1.197 19860 926 1 3 . 1 1 10 10 ILE HA H 10 4.887 4.887 4.766 0.121 19860 927 1 3 . 1 1 10 10 ILE C C 10 176.044 176.044 176.086 -0.042 19860 928 1 3 . 1 1 10 10 ILE CA C 10 58.948 58.948 58.234 0.714 19860 929 1 3 . 1 1 10 10 ILE CB C 10 38.537 38.537 37.768 0.769 19860 930 1 3 . 1 1 10 10 ILE H H 10 9.514 9.514 9.026 0.488 19860 931 1 3 . 1 1 11 11 ASP N N 11 126.501 126.501 127.983 -1.482 19860 932 1 3 . 1 1 11 11 ASP HA H 11 4.390 4.390 4.499 -0.109 19860 933 1 3 . 1 1 11 11 ASP C C 11 175.850 175.850 176.477 -0.627 19860 934 1 3 . 1 1 11 11 ASP CA C 11 53.377 53.377 54.078 -0.701 19860 935 1 3 . 1 1 11 11 ASP CB C 11 41.808 41.808 40.885 0.923 19860 936 1 3 . 1 1 11 11 ASP H H 11 8.676 8.676 8.783 -0.107 19860 937 1 3 . 1 1 12 12 LEU N N 12 127.505 127.505 126.109 1.396 19860 938 1 3 . 1 1 12 12 LEU HA H 12 4.319 4.319 4.195 0.124 19860 939 1 3 . 1 1 12 12 LEU C C 12 176.132 176.132 177.680 -1.548 19860 940 1 3 . 1 1 12 12 LEU CA C 12 55.439 55.439 55.993 -0.554 19860 941 1 3 . 1 1 12 12 LEU CB C 12 40.312 40.312 42.037 -1.725 19860 942 1 3 . 1 1 12 12 LEU H H 12 7.692 7.692 7.698 -0.006 19860 943 1 3 . 1 1 13 13 ASN N N 13 114.351 114.351 114.642 -0.291 19860 944 1 3 . 1 1 13 13 ASN HA H 13 4.391 4.391 4.210 0.181 19860 945 1 3 . 1 1 13 13 ASN C C 13 174.440 174.440 175.579 -1.139 19860 946 1 3 . 1 1 13 13 ASN CA C 13 54.482 54.482 55.238 -0.756 19860 947 1 3 . 1 1 13 13 ASN CB C 13 37.861 37.861 36.885 0.976 19860 948 1 3 . 1 1 13 13 ASN H H 13 9.187 9.187 8.226 0.961 19860 949 1 3 . 1 1 14 14 ASN N N 14 115.057 115.057 116.562 -1.505 19860 950 1 3 . 1 1 14 14 ASN HA H 14 4.779 4.779 4.628 0.151 19860 951 1 3 . 1 1 14 14 ASN C C 14 176.213 176.213 175.825 0.388 19860 952 1 3 . 1 1 14 14 ASN CA C 14 52.149 52.149 53.104 -0.955 19860 953 1 3 . 1 1 14 14 ASN CB C 14 38.727 38.727 37.672 1.055 19860 954 1 3 . 1 1 14 14 ASN H H 14 7.737 7.737 8.291 -0.554 19860 955 1 3 . 1 1 15 15 GLY N N 15 110.453 110.453 106.294 4.159 19860 956 1 3 . 1 1 15 15 GLY C C 15 172.968 172.968 174.163 -1.195 19860 957 1 3 . 1 1 15 15 GLY CA C 15 45.136 45.136 45.003 0.133 19860 958 1 3 . 1 1 15 15 GLY H H 15 8.744 8.744 8.256 0.488 19860 959 1 3 . 1 1 16 16 LYS N N 16 116.557 116.557 119.428 -2.871 19860 960 1 3 . 1 1 16 16 LYS HA H 16 4.992 4.992 4.897 0.095 19860 961 1 3 . 1 1 16 16 LYS C C 16 175.214 175.214 174.304 0.910 19860 962 1 3 . 1 1 16 16 LYS CA C 16 54.653 54.653 55.078 -0.425 19860 963 1 3 . 1 1 16 16 LYS CB C 16 35.359 35.359 35.917 -0.558 19860 964 1 3 . 1 1 16 16 LYS H H 16 7.559 7.559 8.077 -0.518 19860 965 1 3 . 1 1 17 17 TYR N N 17 117.020 117.020 117.240 -0.220 19860 966 1 3 . 1 1 17 17 TYR HA H 17 5.551 5.551 4.981 0.570 19860 967 1 3 . 1 1 17 17 TYR C C 17 175.491 175.491 174.519 0.972 19860 968 1 3 . 1 1 17 17 TYR CA C 17 56.255 56.255 57.123 -0.869 19860 969 1 3 . 1 1 17 17 TYR CB C 17 42.270 42.270 43.174 -0.904 19860 970 1 3 . 1 1 17 17 TYR H H 17 8.577 8.577 8.385 0.192 19860 971 1 3 . 1 1 18 18 VAL N N 18 121.032 121.032 121.313 -0.281 19860 972 1 3 . 1 1 18 18 VAL HA H 18 5.027 5.027 4.469 0.558 19860 973 1 3 . 1 1 18 18 VAL C C 18 174.046 174.046 173.988 0.058 19860 974 1 3 . 1 1 18 18 VAL CA C 18 59.711 59.711 60.253 -0.542 19860 975 1 3 . 1 1 18 18 VAL CB C 18 35.076 35.076 33.712 1.364 19860 976 1 3 . 1 1 18 18 VAL H H 18 8.829 8.829 8.399 0.430 19860 977 1 3 . 1 1 19 19 LYS N N 19 130.251 130.251 129.875 0.376 19860 978 1 3 . 1 1 19 19 LYS HA H 19 4.055 4.055 4.678 -0.623 19860 979 1 3 . 1 1 19 19 LYS C C 19 175.628 175.628 175.145 0.483 19860 980 1 3 . 1 1 19 19 LYS CA C 19 56.975 56.975 54.984 1.991 19860 981 1 3 . 1 1 19 19 LYS CB C 19 33.380 33.380 33.461 -0.081 19860 982 1 3 . 1 1 19 19 LYS H H 19 8.388 8.388 8.583 -0.195 19860 983 1 3 . 1 1 20 20 VAL N N 20 127.530 127.530 125.133 2.397 19860 984 1 3 . 1 1 20 20 VAL HA H 20 4.946 4.946 4.400 0.546 19860 985 1 3 . 1 1 20 20 VAL C C 20 173.581 173.581 173.897 -0.316 19860 986 1 3 . 1 1 20 20 VAL CA C 20 60.483 60.483 59.227 1.256 19860 987 1 3 . 1 1 20 20 VAL CB C 20 35.665 35.665 35.521 0.144 19860 988 1 3 . 1 1 20 20 VAL H H 20 9.428 9.428 8.966 0.462 19860 989 1 3 . 1 1 21 21 ARG N N 21 125.804 125.804 128.627 -2.823 19860 990 1 3 . 1 1 21 21 ARG HA H 21 4.716 4.716 4.712 0.004 19860 991 1 3 . 1 1 21 21 ARG C C 21 174.905 174.905 175.473 -0.568 19860 992 1 3 . 1 1 21 21 ARG CA C 21 54.864 54.864 55.035 -0.171 19860 993 1 3 . 1 1 21 21 ARG CB C 21 32.881 32.881 30.743 2.138 19860 994 1 3 . 1 1 21 21 ARG H H 21 9.084 9.084 8.664 0.420 19860 995 1 3 . 1 1 22 22 ILE N N 22 124.167 124.167 127.079 -2.912 19860 996 1 3 . 1 1 22 22 ILE HA H 22 4.624 4.624 4.344 0.280 19860 997 1 3 . 1 1 22 22 ILE C C 22 175.887 175.887 174.971 0.916 19860 998 1 3 . 1 1 22 22 ILE CA C 22 59.717 59.717 59.246 0.471 19860 999 1 3 . 1 1 22 22 ILE CB C 22 38.699 38.699 36.927 1.772 19860 1000 1 3 . 1 1 22 22 ILE H H 22 8.554 8.554 8.975 -0.421 19860 1001 1 3 . 1 1 23 23 LEU N N 23 128.981 128.981 129.277 -0.296 19860 1002 1 3 . 1 1 23 23 LEU HA H 23 4.663 4.663 4.664 -0.001 19860 1003 1 3 . 1 1 23 23 LEU C C 23 176.174 176.174 176.089 0.085 19860 1004 1 3 . 1 1 23 23 LEU CA C 23 53.897 53.897 53.741 0.156 19860 1005 1 3 . 1 1 23 23 LEU CB C 23 43.556 43.556 41.505 2.051 19860 1006 1 3 . 1 1 23 23 LEU H H 23 8.835 8.835 8.959 -0.124 19860 1007 1 3 . 1 1 24 24 LYS N N 24 122.797 122.797 126.425 -3.628 19860 1008 1 3 . 1 1 24 24 LYS HA H 24 4.568 4.568 4.343 0.225 19860 1009 1 3 . 1 1 24 24 LYS C C 24 176.407 176.407 175.979 0.428 19860 1010 1 3 . 1 1 24 24 LYS CA C 24 55.808 55.808 55.796 0.012 19860 1011 1 3 . 1 1 24 24 LYS CB C 24 34.082 34.082 32.963 1.119 19860 1012 1 3 . 1 1 24 24 LYS H H 24 8.566 8.566 8.655 -0.089 19860 1013 1 3 . 1 1 25 25 SER N N 25 118.453 118.453 125.712 -7.259 19860 1014 1 3 . 1 1 25 25 SER HA H 25 4.477 4.477 5.010 -0.533 19860 1015 1 3 . 1 1 25 25 SER C C 25 175.038 175.038 174.502 0.536 19860 1016 1 3 . 1 1 25 25 SER CA C 25 58.146 58.146 57.087 1.059 19860 1017 1 3 . 1 1 25 25 SER CB C 25 63.977 63.977 62.595 1.382 19860 1018 1 3 . 1 1 25 25 SER H H 25 8.668 8.668 8.965 -0.297 19860 1019 1 3 . 1 1 26 26 ARG N N 26 123.008 123.008 124.950 -1.942 19860 1020 1 3 . 1 1 26 26 ARG HA H 26 4.284 4.284 4.531 -0.247 19860 1021 1 3 . 1 1 26 26 ARG C C 26 176.640 176.640 177.629 -0.989 19860 1022 1 3 . 1 1 26 26 ARG CA C 26 57.171 57.171 57.735 -0.564 19860 1023 1 3 . 1 1 26 26 ARG CB C 26 30.748 30.748 29.985 0.762 19860 1024 1 3 . 1 1 26 26 ARG H H 26 8.667 8.667 7.528 1.139 19860 1025 1 3 . 1 1 27 27 ASP N N 27 118.281 118.281 120.182 -1.901 19860 1026 1 3 . 1 1 27 27 ASP HA H 27 4.598 4.598 4.473 0.125 19860 1027 1 3 . 1 1 27 27 ASP C C 27 176.028 176.028 176.925 -0.897 19860 1028 1 3 . 1 1 27 27 ASP CA C 27 54.657 54.657 56.959 -2.301 19860 1029 1 3 . 1 1 27 27 ASP CB C 27 41.416 41.416 40.310 1.106 19860 1030 1 3 . 1 1 27 27 ASP H H 27 8.246 8.246 8.417 -0.171 19860 1031 1 3 . 1 1 28 28 ASP N N 28 118.646 118.646 116.972 1.674 19860 1032 1 3 . 1 1 28 28 ASP HA H 28 4.563 4.563 4.563 -0.000 19860 1033 1 3 . 1 1 28 28 ASP C C 28 176.165 176.165 176.435 -0.270 19860 1034 1 3 . 1 1 28 28 ASP CA C 28 54.822 54.822 55.819 -0.997 19860 1035 1 3 . 1 1 28 28 ASP CB C 28 41.150 41.150 41.495 -0.345 19860 1036 1 3 . 1 1 28 28 ASP H H 28 8.034 8.034 8.213 -0.179 19860 1037 1 3 . 1 1 29 29 ASN N N 29 117.519 117.519 113.535 3.984 19860 1038 1 3 . 1 1 29 29 ASN HA H 29 4.734 4.734 4.753 -0.019 19860 1039 1 3 . 1 1 29 29 ASN C C 29 175.116 175.116 173.366 1.750 19860 1040 1 3 . 1 1 29 29 ASN CA C 29 53.951 53.951 54.545 -0.595 19860 1041 1 3 . 1 1 29 29 ASN CB C 29 38.779 38.779 39.019 -0.240 19860 1042 1 3 . 1 1 29 29 ASN H H 29 8.473 8.473 8.300 0.173 19860 1043 1 3 . 1 1 30 30 SER N N 30 114.910 114.910 115.099 -0.189 19860 1044 1 3 . 1 1 30 30 SER HA H 30 4.493 4.493 4.619 -0.126 19860 1045 1 3 . 1 1 30 30 SER C C 30 174.235 174.235 173.402 0.833 19860 1046 1 3 . 1 1 30 30 SER CA C 30 58.669 58.669 57.564 1.105 19860 1047 1 3 . 1 1 30 30 SER CB C 30 64.403 64.403 64.358 0.046 19860 1048 1 3 . 1 1 30 30 SER H H 30 8.206 8.206 8.134 0.072 19860 1049 1 3 . 1 1 31 31 VAL N N 31 121.640 121.640 124.032 -2.392 19860 1050 1 3 . 1 1 31 31 VAL HA H 31 4.090 4.090 3.877 0.213 19860 1051 1 3 . 1 1 31 31 VAL C C 31 175.873 175.873 174.868 1.005 19860 1052 1 3 . 1 1 31 31 VAL CA C 31 62.939 62.939 63.217 -0.278 19860 1053 1 3 . 1 1 31 31 VAL CB C 31 32.878 32.878 32.321 0.557 19860 1054 1 3 . 1 1 31 31 VAL H H 31 8.242 8.242 7.176 1.066 19860 1055 1 3 . 1 1 32 32 GLU N N 32 125.144 125.144 128.593 -3.449 19860 1056 1 3 . 1 1 32 32 GLU HA H 32 4.417 4.417 5.203 -0.786 19860 1057 1 3 . 1 1 32 32 GLU C C 32 175.532 175.532 175.567 -0.035 19860 1058 1 3 . 1 1 32 32 GLU CA C 32 56.886 56.886 55.082 1.804 19860 1059 1 3 . 1 1 32 32 GLU CB C 32 31.059 31.059 30.907 0.152 19860 1060 1 3 . 1 1 32 32 GLU H H 32 8.679 8.679 8.624 0.055 19860 1061 1 3 . 1 1 33 33 LYS N N 33 120.222 120.222 122.988 -2.766 19860 1062 1 3 . 1 1 33 33 LYS HA H 33 4.574 4.574 4.275 0.299 19860 1063 1 3 . 1 1 33 33 LYS C C 33 174.194 174.194 175.137 -0.943 19860 1064 1 3 . 1 1 33 33 LYS CA C 33 55.324 55.324 54.279 1.045 19860 1065 1 3 . 1 1 33 33 LYS CB C 33 35.258 35.258 34.715 0.543 19860 1066 1 3 . 1 1 33 33 LYS H H 33 8.229 8.229 8.725 -0.496 19860 1067 1 3 . 1 1 34 34 TYR N N 34 121.014 121.014 116.830 4.184 19860 1068 1 3 . 1 1 34 34 TYR HA H 34 4.910 4.910 5.033 -0.123 19860 1069 1 3 . 1 1 34 34 TYR C C 34 175.667 175.667 176.367 -0.700 19860 1070 1 3 . 1 1 34 34 TYR CA C 34 56.984 56.984 56.661 0.323 19860 1071 1 3 . 1 1 34 34 TYR CB C 34 40.036 40.036 40.357 -0.321 19860 1072 1 3 . 1 1 34 34 TYR H H 34 8.552 8.552 8.251 0.301 19860 1073 1 3 . 1 1 35 35 VAL N N 35 124.624 124.624 121.051 3.573 19860 1074 1 3 . 1 1 35 35 VAL HA H 35 4.301 4.301 4.020 0.281 19860 1075 1 3 . 1 1 35 35 VAL C C 35 175.490 175.490 175.781 -0.291 19860 1076 1 3 . 1 1 35 35 VAL CA C 35 61.869 61.869 62.693 -0.824 19860 1077 1 3 . 1 1 35 35 VAL CB C 35 33.510 33.510 32.939 0.571 19860 1078 1 3 . 1 1 35 35 VAL H H 35 9.337 9.337 8.472 0.865 19860 1079 1 3 . 1 1 36 36 LEU N N 36 127.814 127.814 124.842 2.972 19860 1080 1 3 . 1 1 36 36 LEU HA H 36 4.326 4.326 4.519 -0.193 19860 1081 1 3 . 1 1 36 36 LEU C C 36 177.355 177.355 176.465 0.890 19860 1082 1 3 . 1 1 36 36 LEU CA C 36 56.612 56.612 55.579 1.033 19860 1083 1 3 . 1 1 36 36 LEU CB C 36 41.899 41.899 41.849 0.049 19860 1084 1 3 . 1 1 36 36 LEU H H 36 8.845 8.845 8.463 0.382 19860 1085 1 3 . 1 1 37 37 THR N N 37 112.016 112.016 114.178 -2.162 19860 1086 1 3 . 1 1 37 37 THR HA H 37 4.904 4.904 4.302 0.602 19860 1087 1 3 . 1 1 37 37 THR C C 37 173.228 173.228 174.269 -1.041 19860 1088 1 3 . 1 1 37 37 THR CA C 37 61.023 61.023 61.572 -0.549 19860 1089 1 3 . 1 1 37 37 THR CB C 37 70.829 70.829 69.755 1.074 19860 1090 1 3 . 1 1 37 37 THR H H 37 7.374 7.374 7.555 -0.181 19860 1091 1 3 . 1 1 38 38 SER N N 38 111.049 111.049 119.602 -8.553 19860 1092 1 3 . 1 1 38 38 SER HA H 38 4.635 4.635 4.608 0.027 19860 1093 1 3 . 1 1 38 38 SER C C 38 174.606 174.606 173.358 1.248 19860 1094 1 3 . 1 1 38 38 SER CA C 38 57.957 57.957 56.607 1.350 19860 1095 1 3 . 1 1 38 38 SER CB C 38 63.849 63.849 63.237 0.612 19860 1096 1 3 . 1 1 38 38 SER H H 38 8.387 8.387 8.015 0.372 19860 1097 1 3 . 1 1 39 39 HIS N N 39 122.230 122.230 123.741 -1.511 19860 1098 1 3 . 1 1 39 39 HIS HA H 39 4.768 4.768 4.322 0.446 19860 1099 1 3 . 1 1 39 39 HIS C C 39 173.143 173.143 174.066 -0.923 19860 1100 1 3 . 1 1 39 39 HIS CA C 39 56.328 56.328 57.565 -1.237 19860 1101 1 3 . 1 1 39 39 HIS CB C 39 29.938 29.938 30.280 -0.343 19860 1102 1 3 . 1 1 39 39 HIS H H 39 8.424 8.424 7.403 1.021 19860 1103 1 3 . 1 1 40 40 VAL N N 40 126.582 126.582 122.092 4.490 19860 1104 1 3 . 1 1 40 40 VAL HA H 40 4.915 4.915 4.529 0.386 19860 1105 1 3 . 1 1 40 40 VAL C C 40 175.763 175.763 175.315 0.448 19860 1106 1 3 . 1 1 40 40 VAL CA C 40 60.612 60.612 60.548 0.064 19860 1107 1 3 . 1 1 40 40 VAL CB C 40 34.085 34.085 33.495 0.590 19860 1108 1 3 . 1 1 40 40 VAL H H 40 8.364 8.364 8.066 0.298 19860 1109 1 3 . 1 1 41 41 SER N N 41 121.067 121.067 118.750 2.317 19860 1110 1 3 . 1 1 41 41 SER HA H 41 4.947 4.947 4.868 0.079 19860 1111 1 3 . 1 1 41 41 SER C C 41 174.505 174.505 174.319 0.186 19860 1112 1 3 . 1 1 41 41 SER CA C 41 57.001 57.001 57.382 -0.381 19860 1113 1 3 . 1 1 41 41 SER CB C 41 65.504 65.504 65.096 0.408 19860 1114 1 3 . 1 1 41 41 SER H H 41 9.297 9.297 9.056 0.241 19860 1115 1 3 . 1 1 42 42 LYS N N 42 123.812 123.812 124.462 -0.650 19860 1116 1 3 . 1 1 42 42 LYS HA H 42 4.905 4.905 4.173 0.732 19860 1117 1 3 . 1 1 42 42 LYS C C 42 175.037 175.037 175.850 -0.813 19860 1118 1 3 . 1 1 42 42 LYS CA C 42 56.600 56.600 57.993 -1.393 19860 1119 1 3 . 1 1 42 42 LYS CB C 42 32.827 32.827 32.933 -0.106 19860 1120 1 3 . 1 1 42 42 LYS H H 42 8.962 8.962 8.802 0.160 19860 1121 1 3 . 1 1 43 43 ASN N N 43 115.779 115.779 115.780 -0.001 19860 1122 1 3 . 1 1 43 43 ASN HA H 43 4.906 4.906 4.797 0.109 19860 1123 1 3 . 1 1 43 43 ASN C C 43 173.479 173.479 174.319 -0.840 19860 1124 1 3 . 1 1 43 43 ASN CA C 43 51.840 51.840 52.128 -0.288 19860 1125 1 3 . 1 1 43 43 ASN CB C 43 40.763 40.763 40.140 0.623 19860 1126 1 3 . 1 1 43 43 ASN H H 43 8.053 8.053 7.866 0.187 19860 1127 1 3 . 1 1 44 44 ARG N N 44 124.471 124.471 118.597 5.874 19860 1128 1 3 . 1 1 44 44 ARG HA H 44 3.217 3.217 4.442 -1.225 19860 1129 1 3 . 1 1 44 44 ARG C C 44 173.869 173.869 174.394 -0.525 19860 1130 1 3 . 1 1 44 44 ARG CA C 44 54.034 54.034 53.857 0.177 19860 1131 1 3 . 1 1 44 44 ARG CB C 44 29.917 29.917 30.167 -0.250 19860 1132 1 3 . 1 1 44 44 ARG H H 44 8.565 8.565 8.575 -0.010 19860 1133 1 3 . 1 1 45 45 PRO HA H 45 4.123 4.123 4.290 -0.167 19860 1134 1 3 . 1 1 45 45 PRO C C 45 176.434 176.434 176.344 0.090 19860 1135 1 3 . 1 1 45 45 PRO CA C 45 62.292 62.292 61.983 0.309 19860 1136 1 3 . 1 1 45 45 PRO CB C 45 32.110 32.110 32.297 -0.187 19860 1137 1 3 . 1 1 46 46 LYS N N 46 122.529 122.529 120.818 1.711 19860 1138 1 3 . 1 1 46 46 LYS HA H 46 4.110 4.110 4.208 -0.098 19860 1139 1 3 . 1 1 46 46 LYS C C 46 176.931 176.931 176.811 0.120 19860 1140 1 3 . 1 1 46 46 LYS CA C 46 57.000 57.000 56.901 0.099 19860 1141 1 3 . 1 1 46 46 LYS CB C 46 33.095 33.095 32.166 0.929 19860 1142 1 3 . 1 1 46 46 LYS H H 46 8.470 8.470 8.338 0.132 19860 1143 1 3 . 1 1 47 47 ASN N N 47 117.122 117.122 120.003 -2.881 19860 1144 1 3 . 1 1 47 47 ASN HA H 47 4.589 4.589 4.732 -0.143 19860 1145 1 3 . 1 1 47 47 ASN C C 47 174.011 174.011 173.499 0.512 19860 1146 1 3 . 1 1 47 47 ASN CA C 47 53.493 53.493 52.587 0.906 19860 1147 1 3 . 1 1 47 47 ASN CB C 47 37.868 37.868 37.821 0.047 19860 1148 1 3 . 1 1 47 47 ASN H H 47 8.745 8.745 8.199 0.546 19860 1149 1 3 . 1 1 48 48 ALA N N 48 119.908 119.908 126.533 -6.625 19860 1150 1 3 . 1 1 48 48 ALA HA H 48 4.609 4.609 4.514 0.095 19860 1151 1 3 . 1 1 48 48 ALA C C 48 176.506 176.506 175.530 0.976 19860 1152 1 3 . 1 1 48 48 ALA CA C 48 51.136 51.136 51.662 -0.526 19860 1153 1 3 . 1 1 48 48 ALA CB C 48 22.389 22.389 21.400 0.989 19860 1154 1 3 . 1 1 48 48 ALA H H 48 7.394 7.394 7.739 -0.345 19860 1155 1 3 . 1 1 49 49 ILE N N 49 123.192 123.192 122.227 0.965 19860 1156 1 3 . 1 1 49 49 ILE HA H 49 4.140 4.140 4.495 -0.355 19860 1157 1 3 . 1 1 49 49 ILE C C 49 174.731 174.731 175.221 -0.490 19860 1158 1 3 . 1 1 49 49 ILE CA C 49 61.597 61.597 60.161 1.436 19860 1159 1 3 . 1 1 49 49 ILE CB C 49 38.166 38.166 38.122 0.044 19860 1160 1 3 . 1 1 49 49 ILE H H 49 8.878 8.878 8.690 0.188 19860 1161 1 3 . 1 1 50 50 VAL N N 50 127.552 127.552 121.564 5.988 19860 1162 1 3 . 1 1 50 50 VAL HA H 50 5.289 5.289 5.564 -0.275 19860 1163 1 3 . 1 1 50 50 VAL C C 50 176.411 176.411 175.400 1.011 19860 1164 1 3 . 1 1 50 50 VAL CA C 50 60.499 60.499 59.920 0.579 19860 1165 1 3 . 1 1 50 50 VAL CB C 50 33.890 33.890 33.933 -0.043 19860 1166 1 3 . 1 1 50 50 VAL H H 50 8.371 8.371 8.275 0.096 19860 1167 1 3 . 1 1 51 51 ILE N N 51 126.906 126.906 126.505 0.401 19860 1168 1 3 . 1 1 51 51 ILE HA H 51 4.691 4.691 4.450 0.241 19860 1169 1 3 . 1 1 51 51 ILE C C 51 175.322 175.322 175.173 0.149 19860 1170 1 3 . 1 1 51 51 ILE CA C 51 59.439 59.439 60.331 -0.892 19860 1171 1 3 . 1 1 51 51 ILE CB C 51 41.189 41.189 40.393 0.796 19860 1172 1 3 . 1 1 51 51 ILE H H 51 9.314 9.314 9.007 0.307 19860 1173 1 3 . 1 1 52 52 LYS N N 52 123.523 123.523 127.527 -4.004 19860 1174 1 3 . 1 1 52 52 LYS HA H 52 4.686 4.686 4.748 -0.062 19860 1175 1 3 . 1 1 52 52 LYS C C 52 178.237 178.237 178.077 0.160 19860 1176 1 3 . 1 1 52 52 LYS CA C 52 56.120 56.120 55.821 0.299 19860 1177 1 3 . 1 1 52 52 LYS CB C 52 33.392 33.392 33.895 -0.503 19860 1178 1 3 . 1 1 52 52 LYS H H 52 8.737 8.737 8.726 0.011 19860 1179 1 3 . 1 1 53 53 MET N N 53 119.701 119.701 121.817 -2.116 19860 1180 1 3 . 1 1 53 53 MET HA H 53 3.908 3.908 4.023 -0.115 19860 1181 1 3 . 1 1 53 53 MET C C 53 177.401 177.401 178.208 -0.807 19860 1182 1 3 . 1 1 53 53 MET CA C 53 58.725 58.725 60.418 -1.693 19860 1183 1 3 . 1 1 53 53 MET CB C 53 33.383 33.383 32.299 1.084 19860 1184 1 3 . 1 1 53 53 MET H H 53 8.799 8.799 8.338 0.461 19860 1185 1 3 . 1 1 54 54 ASP N N 54 113.357 113.357 118.004 -4.647 19860 1186 1 3 . 1 1 54 54 ASP HA H 54 4.288 4.288 4.343 -0.055 19860 1187 1 3 . 1 1 54 54 ASP C C 54 176.649 176.649 177.964 -1.315 19860 1188 1 3 . 1 1 54 54 ASP CA C 54 56.682 56.682 56.717 -0.035 19860 1189 1 3 . 1 1 54 54 ASP CB C 54 40.670 40.670 40.655 0.015 19860 1190 1 3 . 1 1 54 54 ASP H H 54 8.262 8.262 8.530 -0.268 19860 1191 1 3 . 1 1 55 55 ASN N N 55 114.935 114.935 116.602 -1.667 19860 1192 1 3 . 1 1 55 55 ASN HA H 55 5.001 5.001 4.675 0.326 19860 1193 1 3 . 1 1 55 55 ASN C C 55 175.032 175.032 176.068 -1.036 19860 1194 1 3 . 1 1 55 55 ASN CA C 55 52.897 52.897 54.150 -1.253 19860 1195 1 3 . 1 1 55 55 ASN CB C 55 39.184 39.184 39.243 -0.059 19860 1196 1 3 . 1 1 55 55 ASN H H 55 7.971 7.971 7.924 0.047 19860 1197 1 3 . 1 1 56 56 LEU N N 56 120.385 120.385 122.607 -2.222 19860 1198 1 3 . 1 1 56 56 LEU HA H 56 4.488 4.488 4.389 0.099 19860 1199 1 3 . 1 1 56 56 LEU C C 56 174.131 174.131 175.136 -1.005 19860 1200 1 3 . 1 1 56 56 LEU CA C 56 52.912 52.912 52.501 0.411 19860 1201 1 3 . 1 1 56 56 LEU CB C 56 41.958 41.958 40.134 1.824 19860 1202 1 3 . 1 1 56 56 LEU H H 56 7.331 7.331 7.465 -0.134 19860 1203 1 3 . 1 1 57 57 PRO HA H 57 4.617 4.617 4.523 0.094 19860 1204 1 3 . 1 1 57 57 PRO C C 57 178.627 178.627 177.720 0.907 19860 1205 1 3 . 1 1 57 57 PRO CA C 57 62.751 62.751 62.813 -0.062 19860 1206 1 3 . 1 1 57 57 PRO CB C 57 32.718 32.718 32.357 0.361 19860 1207 1 3 . 1 1 58 58 ILE N N 58 125.295 125.295 119.102 6.193 19860 1208 1 3 . 1 1 58 58 ILE HA H 58 3.783 3.783 3.769 0.014 19860 1209 1 3 . 1 1 58 58 ILE C C 58 176.776 176.776 177.627 -0.851 19860 1210 1 3 . 1 1 58 58 ILE CA C 58 64.583 64.583 64.386 0.197 19860 1211 1 3 . 1 1 58 58 ILE CB C 58 37.959 37.959 37.216 0.743 19860 1212 1 3 . 1 1 58 58 ILE H H 58 8.882 8.882 8.439 0.443 19860 1213 1 3 . 1 1 59 59 GLU N N 59 118.869 118.869 119.145 -0.276 19860 1214 1 3 . 1 1 59 59 GLU HA H 59 4.254 4.254 4.128 0.126 19860 1215 1 3 . 1 1 59 59 GLU C C 59 179.370 179.370 179.107 0.263 19860 1216 1 3 . 1 1 59 59 GLU CA C 59 59.757 59.757 59.727 0.029 19860 1217 1 3 . 1 1 59 59 GLU CB C 59 29.053 29.053 28.750 0.303 19860 1218 1 3 . 1 1 59 59 GLU H H 59 9.348 9.348 8.762 0.586 19860 1219 1 3 . 1 1 60 60 VAL N N 60 118.990 118.990 119.945 -0.955 19860 1220 1 3 . 1 1 60 60 VAL HA H 60 3.772 3.772 3.641 0.131 19860 1221 1 3 . 1 1 60 60 VAL C C 60 177.451 177.451 177.790 -0.339 19860 1222 1 3 . 1 1 60 60 VAL CA C 60 65.331 65.331 66.662 -1.331 19860 1223 1 3 . 1 1 60 60 VAL CB C 60 31.869 31.869 31.540 0.329 19860 1224 1 3 . 1 1 60 60 VAL H H 60 7.290 7.290 7.572 -0.282 19860 1225 1 3 . 1 1 61 61 LYS N N 61 120.824 120.824 119.792 1.032 19860 1226 1 3 . 1 1 61 61 LYS HA H 61 3.782 3.782 3.880 -0.098 19860 1227 1 3 . 1 1 61 61 LYS C C 61 179.444 179.444 178.578 0.866 19860 1228 1 3 . 1 1 61 61 LYS CA C 61 61.060 61.060 60.113 0.947 19860 1229 1 3 . 1 1 61 61 LYS CB C 61 32.196 32.196 31.812 0.384 19860 1230 1 3 . 1 1 61 61 LYS H H 61 8.043 8.043 8.032 0.011 19860 1231 1 3 . 1 1 62 62 ASP N N 62 119.231 119.231 119.929 -0.698 19860 1232 1 3 . 1 1 62 62 ASP HA H 62 4.427 4.427 4.367 0.061 19860 1233 1 3 . 1 1 62 62 ASP C C 62 178.420 178.420 178.291 0.129 19860 1234 1 3 . 1 1 62 62 ASP CA C 62 57.851 57.851 57.658 0.193 19860 1235 1 3 . 1 1 62 62 ASP CB C 62 40.780 40.780 40.950 -0.170 19860 1236 1 3 . 1 1 62 62 ASP H H 62 8.766 8.766 8.094 0.672 19860 1237 1 3 . 1 1 63 63 LYS N N 63 119.623 119.623 119.730 -0.107 19860 1238 1 3 . 1 1 63 63 LYS HA H 63 4.025 4.025 4.115 -0.090 19860 1239 1 3 . 1 1 63 63 LYS C C 63 178.866 178.866 179.398 -0.532 19860 1240 1 3 . 1 1 63 63 LYS CA C 63 59.667 59.667 59.128 0.539 19860 1241 1 3 . 1 1 63 63 LYS CB C 63 32.929 32.929 32.623 0.306 19860 1242 1 3 . 1 1 63 63 LYS H H 63 7.391 7.391 7.726 -0.335 19860 1243 1 3 . 1 1 64 64 LEU N N 64 118.806 118.806 119.661 -0.855 19860 1244 1 3 . 1 1 64 64 LEU HA H 64 4.216 4.216 3.930 0.286 19860 1245 1 3 . 1 1 64 64 LEU C C 64 178.793 178.793 178.543 0.250 19860 1246 1 3 . 1 1 64 64 LEU CA C 64 58.011 58.011 57.857 0.154 19860 1247 1 3 . 1 1 64 64 LEU CB C 64 42.251 42.251 41.336 0.915 19860 1248 1 3 . 1 1 64 64 LEU H H 64 8.357 8.357 8.822 -0.465 19860 1249 1 3 . 1 1 65 65 THR N N 65 115.102 115.102 115.177 -0.075 19860 1250 1 3 . 1 1 65 65 THR HA H 65 3.920 3.920 3.719 0.201 19860 1251 1 3 . 1 1 65 65 THR C C 65 176.410 176.410 176.732 -0.322 19860 1252 1 3 . 1 1 65 65 THR CA C 65 66.705 66.705 66.653 0.052 19860 1253 1 3 . 1 1 65 65 THR CB C 65 68.876 68.876 68.341 0.535 19860 1254 1 3 . 1 1 65 65 THR H H 65 8.343 8.343 7.661 0.682 19860 1255 1 3 . 1 1 66 66 ARG N N 66 119.405 119.405 119.863 -0.458 19860 1256 1 3 . 1 1 66 66 ARG HA H 66 4.067 4.067 4.052 0.015 19860 1257 1 3 . 1 1 66 66 ARG C C 66 177.988 177.988 178.287 -0.299 19860 1258 1 3 . 1 1 66 66 ARG CA C 66 58.961 58.961 58.971 -0.010 19860 1259 1 3 . 1 1 66 66 ARG CB C 66 30.302 30.302 30.058 0.243 19860 1260 1 3 . 1 1 66 66 ARG H H 66 7.832 7.832 7.465 0.367 19860 1261 1 3 . 1 1 67 67 PHE N N 67 117.304 117.304 119.433 -2.129 19860 1262 1 3 . 1 1 67 67 PHE HA H 67 4.323 4.323 4.291 0.032 19860 1263 1 3 . 1 1 67 67 PHE C C 67 177.141 177.141 176.084 1.057 19860 1264 1 3 . 1 1 67 67 PHE CA C 67 59.989 59.989 61.107 -1.118 19860 1265 1 3 . 1 1 67 67 PHE CB C 67 39.269 39.269 40.060 -0.791 19860 1266 1 3 . 1 1 67 67 PHE H H 67 8.190 8.190 7.912 0.278 19860 1267 1 3 . 1 1 68 68 PHE N N 68 114.297 114.297 111.659 2.638 19860 1268 1 3 . 1 1 68 68 PHE HA H 68 4.696 4.696 4.740 -0.044 19860 1269 1 3 . 1 1 68 68 PHE C C 68 175.969 175.969 176.520 -0.551 19860 1270 1 3 . 1 1 68 68 PHE CA C 68 59.112 59.112 57.904 1.208 19860 1271 1 3 . 1 1 68 68 PHE CB C 68 40.100 40.100 39.326 0.774 19860 1272 1 3 . 1 1 68 68 PHE H H 68 8.087 8.087 7.580 0.507 19860 1273 1 3 . 1 1 69 69 LEU N N 69 119.594 119.594 121.674 -2.080 19860 1274 1 3 . 1 1 69 69 LEU HA H 69 4.476 4.476 4.444 0.032 19860 1275 1 3 . 1 1 69 69 LEU C C 69 177.425 177.425 178.168 -0.743 19860 1276 1 3 . 1 1 69 69 LEU CA C 69 55.805 55.805 57.116 -1.311 19860 1277 1 3 . 1 1 69 69 LEU CB C 69 41.399 41.399 42.019 -0.620 19860 1278 1 3 . 1 1 69 69 LEU H H 69 7.823 7.823 7.121 0.702 19860 1279 1 3 . 1 1 70 70 LEU N N 70 119.723 119.723 118.855 0.868 19860 1280 1 3 . 1 1 70 70 LEU HA H 70 4.341 4.341 4.327 0.014 19860 1281 1 3 . 1 1 70 70 LEU C C 70 177.443 177.443 177.868 -0.425 19860 1282 1 3 . 1 1 70 70 LEU CA C 70 55.288 55.288 57.247 -1.959 19860 1283 1 3 . 1 1 70 70 LEU CB C 70 42.205 42.205 42.291 -0.086 19860 1284 1 3 . 1 1 70 70 LEU H H 70 7.905 7.905 8.140 -0.235 19860 1285 1 3 . 1 1 71 71 GLU N N 71 120.533 120.533 117.649 2.884 19860 1286 1 3 . 1 1 71 71 GLU HA H 71 4.200 4.200 4.405 -0.205 19860 1287 1 3 . 1 1 71 71 GLU C C 71 176.250 176.250 178.362 -2.112 19860 1288 1 3 . 1 1 71 71 GLU CA C 71 56.609 56.609 57.992 -1.383 19860 1289 1 3 . 1 1 71 71 GLU CB C 71 30.475 30.475 30.477 -0.002 19860 1290 1 3 . 1 1 71 71 GLU H H 71 8.244 8.244 7.527 0.717 19860 1291 1 3 . 1 1 72 72 HIS N N 72 119.783 119.783 119.665 0.118 19860 1292 1 3 . 1 1 72 72 HIS HA H 72 4.623 4.623 4.785 -0.162 19860 1293 1 3 . 1 1 72 72 HIS C C 72 174.645 174.645 174.846 -0.201 19860 1294 1 3 . 1 1 72 72 HIS CA C 72 55.737 55.737 54.845 0.892 19860 1295 1 3 . 1 1 72 72 HIS CB C 72 29.901 29.901 29.062 0.839 19860 1296 1 3 . 1 1 72 72 HIS H H 72 8.403 8.403 8.113 0.290 19860 1297 1 3 . 1 1 73 73 HIS N N 73 120.199 120.199 119.082 1.117 19860 1298 1 3 . 1 1 73 73 HIS HA H 73 4.625 4.625 4.455 0.170 19860 1299 1 3 . 1 1 73 73 HIS C C 73 174.552 174.552 174.976 -0.424 19860 1300 1 3 . 1 1 73 73 HIS CA C 73 55.754 55.754 59.013 -3.259 19860 1301 1 3 . 1 1 73 73 HIS CB C 73 29.976 29.976 31.405 -1.429 19860 1302 1 3 . 1 1 73 73 HIS H H 73 8.539 8.539 7.672 0.867 19860 1303 1 3 . 1 1 74 74 HIS N N 74 120.457 120.457 113.846 6.611 19860 1304 1 3 . 1 1 74 74 HIS HA H 74 4.655 4.655 4.474 0.181 19860 1305 1 3 . 1 1 74 74 HIS C C 74 174.638 174.638 173.422 1.216 19860 1306 1 3 . 1 1 74 74 HIS CA C 74 55.771 55.771 55.801 -0.030 19860 1307 1 3 . 1 1 74 74 HIS CB C 74 29.916 29.916 29.267 0.649 19860 1308 1 3 . 1 1 74 74 HIS H H 74 8.681 8.681 8.446 0.235 19860 1309 1 3 . 1 1 75 75 HIS N N 75 120.782 120.782 119.786 0.996 19860 1310 1 3 . 1 1 75 75 HIS HA H 75 4.671 4.671 4.670 0.001 19860 1311 1 3 . 1 1 75 75 HIS C C 75 174.525 174.525 174.344 0.181 19860 1312 1 3 . 1 1 75 75 HIS CA C 75 55.758 55.758 57.102 -1.344 19860 1313 1 3 . 1 1 75 75 HIS CB C 75 29.934 29.934 28.439 1.495 19860 1314 1 3 . 1 1 75 75 HIS H H 75 8.755 8.755 8.622 0.133 19860 1315 1 3 . 1 1 76 76 HIS N N 76 120.737 120.737 122.847 -2.110 19860 1316 1 3 . 1 1 76 76 HIS HA H 76 4.666 4.666 4.512 0.154 19860 1317 1 3 . 1 1 76 76 HIS C C 76 173.873 173.873 173.971 -0.098 19860 1318 1 3 . 1 1 76 76 HIS CA C 76 55.921 55.921 56.279 -0.358 19860 1319 1 3 . 1 1 76 76 HIS CB C 76 29.848 29.848 31.398 -1.550 19860 1320 1 3 . 1 1 76 76 HIS H H 76 8.693 8.693 8.965 -0.272 19860 1321 1 4 . 1 1 2 2 LEU HA H 2 4.435 4.435 4.041 0.394 19860 1322 1 4 . 1 1 2 2 LEU C C 2 176.773 176.773 175.271 1.502 19860 1323 1 4 . 1 1 2 2 LEU CA C 2 55.299 55.299 55.794 -0.495 19860 1324 1 4 . 1 1 2 2 LEU CB C 2 42.529 42.529 41.388 1.141 19860 1325 1 4 . 1 1 3 3 LYS N N 3 123.220 123.220 120.096 3.124 19860 1326 1 4 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.461 -0.136 19860 1327 1 4 . 1 1 3 3 LYS C C 3 176.224 176.224 175.391 0.833 19860 1328 1 4 . 1 1 3 3 LYS CA C 3 56.344 56.344 55.392 0.952 19860 1329 1 4 . 1 1 3 3 LYS CB C 3 33.335 33.335 33.945 -0.610 19860 1330 1 4 . 1 1 3 3 LYS H H 3 8.520 8.520 7.930 0.590 19860 1331 1 4 . 1 1 4 4 HIS N N 4 119.727 119.727 117.880 1.847 19860 1332 1 4 . 1 1 4 4 HIS HA H 4 4.721 4.721 4.317 0.404 19860 1333 1 4 . 1 1 4 4 HIS C C 4 175.318 175.318 173.737 1.581 19860 1334 1 4 . 1 1 4 4 HIS CA C 4 55.941 55.941 56.175 -0.233 19860 1335 1 4 . 1 1 4 4 HIS CB C 4 30.636 30.636 29.512 1.124 19860 1336 1 4 . 1 1 4 4 HIS H H 4 8.486 8.486 8.546 -0.060 19860 1337 1 4 . 1 1 5 5 GLY N N 5 110.318 110.318 109.983 0.335 19860 1338 1 4 . 1 1 5 5 GLY C C 5 172.966 172.966 172.693 0.273 19860 1339 1 4 . 1 1 5 5 GLY CA C 5 45.146 45.146 44.838 0.308 19860 1340 1 4 . 1 1 5 5 GLY H H 5 8.602 8.602 8.312 0.290 19860 1341 1 4 . 1 1 6 6 LYS N N 6 120.808 120.808 123.134 -2.326 19860 1342 1 4 . 1 1 6 6 LYS HA H 6 4.438 4.438 4.561 -0.123 19860 1343 1 4 . 1 1 6 6 LYS C C 6 175.168 175.168 175.385 -0.217 19860 1344 1 4 . 1 1 6 6 LYS CA C 6 56.179 56.179 53.665 2.514 19860 1345 1 4 . 1 1 6 6 LYS CB C 6 34.277 34.277 35.367 -1.089 19860 1346 1 4 . 1 1 6 6 LYS H H 6 8.275 8.275 8.187 0.088 19860 1347 1 4 . 1 1 7 7 TYR N N 7 118.666 118.666 119.008 -0.342 19860 1348 1 4 . 1 1 7 7 TYR HA H 7 5.513 5.513 5.374 0.139 19860 1349 1 4 . 1 1 7 7 TYR C C 7 176.004 176.004 176.423 -0.419 19860 1350 1 4 . 1 1 7 7 TYR CA C 7 56.971 56.971 57.183 -0.212 19860 1351 1 4 . 1 1 7 7 TYR CB C 7 41.032 41.032 39.523 1.509 19860 1352 1 4 . 1 1 7 7 TYR H H 7 8.351 8.351 8.544 -0.193 19860 1353 1 4 . 1 1 8 8 VAL N N 8 115.920 115.920 120.755 -4.835 19860 1354 1 4 . 1 1 8 8 VAL HA H 8 4.860 4.860 4.896 -0.036 19860 1355 1 4 . 1 1 8 8 VAL C C 8 173.220 173.220 173.378 -0.158 19860 1356 1 4 . 1 1 8 8 VAL CA C 8 59.694 59.694 58.952 0.742 19860 1357 1 4 . 1 1 8 8 VAL CB C 8 35.246 35.246 35.057 0.189 19860 1358 1 4 . 1 1 8 8 VAL H H 8 9.057 9.057 8.884 0.173 19860 1359 1 4 . 1 1 9 9 TYR N N 9 118.786 118.786 117.095 1.691 19860 1360 1 4 . 1 1 9 9 TYR HA H 9 5.515 5.515 5.666 -0.151 19860 1361 1 4 . 1 1 9 9 TYR C C 9 175.072 175.072 175.802 -0.730 19860 1362 1 4 . 1 1 9 9 TYR CA C 9 56.576 56.576 55.903 0.673 19860 1363 1 4 . 1 1 9 9 TYR CB C 9 41.532 41.532 42.582 -1.050 19860 1364 1 4 . 1 1 9 9 TYR H H 9 9.117 9.117 8.252 0.865 19860 1365 1 4 . 1 1 10 10 ILE N N 10 121.376 121.376 121.691 -0.315 19860 1366 1 4 . 1 1 10 10 ILE HA H 10 4.887 4.887 4.686 0.201 19860 1367 1 4 . 1 1 10 10 ILE C C 10 176.044 176.044 176.259 -0.215 19860 1368 1 4 . 1 1 10 10 ILE CA C 10 58.948 58.948 58.427 0.521 19860 1369 1 4 . 1 1 10 10 ILE CB C 10 38.537 38.537 37.898 0.639 19860 1370 1 4 . 1 1 10 10 ILE H H 10 9.514 9.514 8.633 0.881 19860 1371 1 4 . 1 1 11 11 ASP N N 11 126.501 126.501 128.151 -1.650 19860 1372 1 4 . 1 1 11 11 ASP HA H 11 4.390 4.390 4.299 0.091 19860 1373 1 4 . 1 1 11 11 ASP C C 11 175.850 175.850 176.536 -0.686 19860 1374 1 4 . 1 1 11 11 ASP CA C 11 53.377 53.377 53.873 -0.496 19860 1375 1 4 . 1 1 11 11 ASP CB C 11 41.808 41.808 40.292 1.516 19860 1376 1 4 . 1 1 11 11 ASP H H 11 8.676 8.676 8.826 -0.150 19860 1377 1 4 . 1 1 12 12 LEU N N 12 127.505 127.505 124.927 2.578 19860 1378 1 4 . 1 1 12 12 LEU HA H 12 4.319 4.319 4.182 0.137 19860 1379 1 4 . 1 1 12 12 LEU C C 12 176.132 176.132 177.678 -1.546 19860 1380 1 4 . 1 1 12 12 LEU CA C 12 55.439 55.439 55.714 -0.275 19860 1381 1 4 . 1 1 12 12 LEU CB C 12 40.312 40.312 42.141 -1.829 19860 1382 1 4 . 1 1 12 12 LEU H H 12 7.692 7.692 7.704 -0.012 19860 1383 1 4 . 1 1 13 13 ASN N N 13 114.351 114.351 114.037 0.314 19860 1384 1 4 . 1 1 13 13 ASN HA H 13 4.391 4.391 4.307 0.084 19860 1385 1 4 . 1 1 13 13 ASN C C 13 174.440 174.440 174.882 -0.442 19860 1386 1 4 . 1 1 13 13 ASN CA C 13 54.482 54.482 54.625 -0.143 19860 1387 1 4 . 1 1 13 13 ASN CB C 13 37.861 37.861 38.138 -0.277 19860 1388 1 4 . 1 1 13 13 ASN H H 13 9.187 9.187 7.739 1.448 19860 1389 1 4 . 1 1 14 14 ASN N N 14 115.057 115.057 116.497 -1.440 19860 1390 1 4 . 1 1 14 14 ASN HA H 14 4.779 4.779 4.758 0.021 19860 1391 1 4 . 1 1 14 14 ASN C C 14 176.213 176.213 175.804 0.409 19860 1392 1 4 . 1 1 14 14 ASN CA C 14 52.149 52.149 53.132 -0.983 19860 1393 1 4 . 1 1 14 14 ASN CB C 14 38.727 38.727 38.456 0.271 19860 1394 1 4 . 1 1 14 14 ASN H H 14 7.737 7.737 8.273 -0.536 19860 1395 1 4 . 1 1 15 15 GLY N N 15 110.453 110.453 105.929 4.524 19860 1396 1 4 . 1 1 15 15 GLY C C 15 172.968 172.968 172.874 0.094 19860 1397 1 4 . 1 1 15 15 GLY CA C 15 45.136 45.136 45.165 -0.029 19860 1398 1 4 . 1 1 15 15 GLY H H 15 8.744 8.744 8.322 0.422 19860 1399 1 4 . 1 1 16 16 LYS N N 16 116.557 116.557 118.556 -1.999 19860 1400 1 4 . 1 1 16 16 LYS HA H 16 4.992 4.992 5.004 -0.012 19860 1401 1 4 . 1 1 16 16 LYS C C 16 175.214 175.214 174.225 0.989 19860 1402 1 4 . 1 1 16 16 LYS CA C 16 54.653 54.653 54.791 -0.138 19860 1403 1 4 . 1 1 16 16 LYS CB C 16 35.359 35.359 35.512 -0.153 19860 1404 1 4 . 1 1 16 16 LYS H H 16 7.559 7.559 7.064 0.495 19860 1405 1 4 . 1 1 17 17 TYR N N 17 117.020 117.020 118.333 -1.313 19860 1406 1 4 . 1 1 17 17 TYR HA H 17 5.551 5.551 4.974 0.577 19860 1407 1 4 . 1 1 17 17 TYR C C 17 175.491 175.491 174.366 1.125 19860 1408 1 4 . 1 1 17 17 TYR CA C 17 56.255 56.255 57.264 -1.008 19860 1409 1 4 . 1 1 17 17 TYR CB C 17 42.270 42.270 42.873 -0.603 19860 1410 1 4 . 1 1 17 17 TYR H H 17 8.577 8.577 9.137 -0.560 19860 1411 1 4 . 1 1 18 18 VAL N N 18 121.032 121.032 121.797 -0.765 19860 1412 1 4 . 1 1 18 18 VAL HA H 18 5.027 5.027 4.444 0.583 19860 1413 1 4 . 1 1 18 18 VAL C C 18 174.046 174.046 174.606 -0.560 19860 1414 1 4 . 1 1 18 18 VAL CA C 18 59.711 59.711 60.394 -0.683 19860 1415 1 4 . 1 1 18 18 VAL CB C 18 35.076 35.076 34.625 0.451 19860 1416 1 4 . 1 1 18 18 VAL H H 18 8.829 8.829 8.433 0.396 19860 1417 1 4 . 1 1 19 19 LYS N N 19 130.251 130.251 130.046 0.205 19860 1418 1 4 . 1 1 19 19 LYS HA H 19 4.055 4.055 4.285 -0.230 19860 1419 1 4 . 1 1 19 19 LYS C C 19 175.628 175.628 175.403 0.225 19860 1420 1 4 . 1 1 19 19 LYS CA C 19 56.975 56.975 55.858 1.117 19860 1421 1 4 . 1 1 19 19 LYS CB C 19 33.380 33.380 32.476 0.904 19860 1422 1 4 . 1 1 19 19 LYS H H 19 8.388 8.388 8.456 -0.068 19860 1423 1 4 . 1 1 20 20 VAL N N 20 127.530 127.530 125.852 1.678 19860 1424 1 4 . 1 1 20 20 VAL HA H 20 4.946 4.946 4.398 0.548 19860 1425 1 4 . 1 1 20 20 VAL C C 20 173.581 173.581 173.731 -0.150 19860 1426 1 4 . 1 1 20 20 VAL CA C 20 60.483 60.483 59.341 1.142 19860 1427 1 4 . 1 1 20 20 VAL CB C 20 35.665 35.665 35.735 -0.070 19860 1428 1 4 . 1 1 20 20 VAL H H 20 9.428 9.428 8.963 0.465 19860 1429 1 4 . 1 1 21 21 ARG N N 21 125.804 125.804 128.959 -3.155 19860 1430 1 4 . 1 1 21 21 ARG HA H 21 4.716 4.716 4.605 0.111 19860 1431 1 4 . 1 1 21 21 ARG C C 21 174.905 174.905 175.432 -0.527 19860 1432 1 4 . 1 1 21 21 ARG CA C 21 54.864 54.864 54.811 0.053 19860 1433 1 4 . 1 1 21 21 ARG CB C 21 32.881 32.881 30.627 2.254 19860 1434 1 4 . 1 1 21 21 ARG H H 21 9.084 9.084 8.580 0.504 19860 1435 1 4 . 1 1 22 22 ILE N N 22 124.167 124.167 126.985 -2.818 19860 1436 1 4 . 1 1 22 22 ILE HA H 22 4.624 4.624 4.128 0.496 19860 1437 1 4 . 1 1 22 22 ILE C C 22 175.887 175.887 174.917 0.970 19860 1438 1 4 . 1 1 22 22 ILE CA C 22 59.717 59.717 59.063 0.654 19860 1439 1 4 . 1 1 22 22 ILE CB C 22 38.699 38.699 36.583 2.116 19860 1440 1 4 . 1 1 22 22 ILE H H 22 8.554 8.554 8.913 -0.359 19860 1441 1 4 . 1 1 23 23 LEU N N 23 128.981 128.981 130.015 -1.034 19860 1442 1 4 . 1 1 23 23 LEU HA H 23 4.663 4.663 4.874 -0.211 19860 1443 1 4 . 1 1 23 23 LEU C C 23 176.174 176.174 175.651 0.523 19860 1444 1 4 . 1 1 23 23 LEU CA C 23 53.897 53.897 53.923 -0.026 19860 1445 1 4 . 1 1 23 23 LEU CB C 23 43.556 43.556 41.817 1.739 19860 1446 1 4 . 1 1 23 23 LEU H H 23 8.835 8.835 8.879 -0.044 19860 1447 1 4 . 1 1 24 24 LYS N N 24 122.797 122.797 126.981 -4.184 19860 1448 1 4 . 1 1 24 24 LYS HA H 24 4.568 4.568 4.728 -0.160 19860 1449 1 4 . 1 1 24 24 LYS C C 24 176.407 176.407 175.240 1.167 19860 1450 1 4 . 1 1 24 24 LYS CA C 24 55.808 55.808 54.972 0.836 19860 1451 1 4 . 1 1 24 24 LYS CB C 24 34.082 34.082 34.454 -0.372 19860 1452 1 4 . 1 1 24 24 LYS H H 24 8.566 8.566 8.793 -0.227 19860 1453 1 4 . 1 1 25 25 SER N N 25 118.453 118.453 122.889 -4.436 19860 1454 1 4 . 1 1 25 25 SER HA H 25 4.477 4.477 4.926 -0.449 19860 1455 1 4 . 1 1 25 25 SER C C 25 175.038 175.038 174.862 0.176 19860 1456 1 4 . 1 1 25 25 SER CA C 25 58.146 58.146 56.783 1.363 19860 1457 1 4 . 1 1 25 25 SER CB C 25 63.977 63.977 64.168 -0.191 19860 1458 1 4 . 1 1 25 25 SER H H 25 8.668 8.668 9.003 -0.335 19860 1459 1 4 . 1 1 26 26 ARG N N 26 123.008 123.008 126.396 -3.388 19860 1460 1 4 . 1 1 26 26 ARG HA H 26 4.284 4.284 4.306 -0.022 19860 1461 1 4 . 1 1 26 26 ARG C C 26 176.640 176.640 176.516 0.124 19860 1462 1 4 . 1 1 26 26 ARG CA C 26 57.171 57.171 58.069 -0.898 19860 1463 1 4 . 1 1 26 26 ARG CB C 26 30.748 30.748 30.308 0.440 19860 1464 1 4 . 1 1 26 26 ARG H H 26 8.667 8.667 8.006 0.661 19860 1465 1 4 . 1 1 27 27 ASP N N 27 118.281 118.281 119.019 -0.738 19860 1466 1 4 . 1 1 27 27 ASP HA H 27 4.598 4.598 4.372 0.226 19860 1467 1 4 . 1 1 27 27 ASP C C 27 176.028 176.028 177.018 -0.990 19860 1468 1 4 . 1 1 27 27 ASP CA C 27 54.657 54.657 56.668 -2.011 19860 1469 1 4 . 1 1 27 27 ASP CB C 27 41.416 41.416 40.037 1.379 19860 1470 1 4 . 1 1 27 27 ASP H H 27 8.246 8.246 8.320 -0.074 19860 1471 1 4 . 1 1 28 28 ASP N N 28 118.646 118.646 118.088 0.558 19860 1472 1 4 . 1 1 28 28 ASP HA H 28 4.563 4.563 4.531 0.032 19860 1473 1 4 . 1 1 28 28 ASP C C 28 176.165 176.165 176.270 -0.105 19860 1474 1 4 . 1 1 28 28 ASP CA C 28 54.822 54.822 55.920 -1.098 19860 1475 1 4 . 1 1 28 28 ASP CB C 28 41.150 41.150 41.281 -0.131 19860 1476 1 4 . 1 1 28 28 ASP H H 28 8.034 8.034 8.084 -0.050 19860 1477 1 4 . 1 1 29 29 ASN N N 29 117.519 117.519 113.707 3.812 19860 1478 1 4 . 1 1 29 29 ASN HA H 29 4.734 4.734 4.597 0.137 19860 1479 1 4 . 1 1 29 29 ASN C C 29 175.116 175.116 173.218 1.898 19860 1480 1 4 . 1 1 29 29 ASN CA C 29 53.951 53.951 54.370 -0.419 19860 1481 1 4 . 1 1 29 29 ASN CB C 29 38.779 38.779 39.008 -0.229 19860 1482 1 4 . 1 1 29 29 ASN H H 29 8.473 8.473 7.780 0.693 19860 1483 1 4 . 1 1 30 30 SER N N 30 114.910 114.910 114.881 0.029 19860 1484 1 4 . 1 1 30 30 SER HA H 30 4.493 4.493 4.532 -0.039 19860 1485 1 4 . 1 1 30 30 SER C C 30 174.235 174.235 172.982 1.253 19860 1486 1 4 . 1 1 30 30 SER CA C 30 58.669 58.669 58.114 0.555 19860 1487 1 4 . 1 1 30 30 SER CB C 30 64.403 64.403 63.192 1.211 19860 1488 1 4 . 1 1 30 30 SER H H 30 8.206 8.206 7.891 0.315 19860 1489 1 4 . 1 1 31 31 VAL N N 31 121.640 121.640 125.401 -3.761 19860 1490 1 4 . 1 1 31 31 VAL HA H 31 4.090 4.090 4.170 -0.080 19860 1491 1 4 . 1 1 31 31 VAL C C 31 175.873 175.873 174.660 1.213 19860 1492 1 4 . 1 1 31 31 VAL CA C 31 62.939 62.939 62.287 0.652 19860 1493 1 4 . 1 1 31 31 VAL CB C 31 32.878 32.878 32.187 0.691 19860 1494 1 4 . 1 1 31 31 VAL H H 31 8.242 8.242 8.469 -0.227 19860 1495 1 4 . 1 1 32 32 GLU N N 32 125.144 125.144 127.867 -2.723 19860 1496 1 4 . 1 1 32 32 GLU HA H 32 4.417 4.417 5.401 -0.984 19860 1497 1 4 . 1 1 32 32 GLU C C 32 175.532 175.532 175.502 0.030 19860 1498 1 4 . 1 1 32 32 GLU CA C 32 56.886 56.886 54.799 2.087 19860 1499 1 4 . 1 1 32 32 GLU CB C 32 31.059 31.059 31.670 -0.611 19860 1500 1 4 . 1 1 32 32 GLU H H 32 8.679 8.679 8.538 0.141 19860 1501 1 4 . 1 1 33 33 LYS N N 33 120.222 120.222 123.797 -3.575 19860 1502 1 4 . 1 1 33 33 LYS HA H 33 4.574 4.574 4.473 0.101 19860 1503 1 4 . 1 1 33 33 LYS C C 33 174.194 174.194 174.088 0.106 19860 1504 1 4 . 1 1 33 33 LYS CA C 33 55.324 55.324 54.310 1.014 19860 1505 1 4 . 1 1 33 33 LYS CB C 33 35.258 35.258 36.950 -1.692 19860 1506 1 4 . 1 1 33 33 LYS H H 33 8.229 8.229 8.410 -0.181 19860 1507 1 4 . 1 1 34 34 TYR N N 34 121.014 121.014 118.645 2.369 19860 1508 1 4 . 1 1 34 34 TYR HA H 34 4.910 4.910 5.163 -0.253 19860 1509 1 4 . 1 1 34 34 TYR C C 34 175.667 175.667 176.505 -0.838 19860 1510 1 4 . 1 1 34 34 TYR CA C 34 56.984 56.984 56.979 0.005 19860 1511 1 4 . 1 1 34 34 TYR CB C 34 40.036 40.036 40.638 -0.602 19860 1512 1 4 . 1 1 34 34 TYR H H 34 8.552 8.552 8.453 0.099 19860 1513 1 4 . 1 1 35 35 VAL N N 35 124.624 124.624 121.138 3.486 19860 1514 1 4 . 1 1 35 35 VAL HA H 35 4.301 4.301 4.019 0.282 19860 1515 1 4 . 1 1 35 35 VAL C C 35 175.490 175.490 176.432 -0.942 19860 1516 1 4 . 1 1 35 35 VAL CA C 35 61.869 61.869 62.681 -0.812 19860 1517 1 4 . 1 1 35 35 VAL CB C 35 33.510 33.510 33.236 0.273 19860 1518 1 4 . 1 1 35 35 VAL H H 35 9.337 9.337 8.374 0.963 19860 1519 1 4 . 1 1 36 36 LEU N N 36 127.814 127.814 125.009 2.805 19860 1520 1 4 . 1 1 36 36 LEU HA H 36 4.326 4.326 4.552 -0.226 19860 1521 1 4 . 1 1 36 36 LEU C C 36 177.355 177.355 176.919 0.436 19860 1522 1 4 . 1 1 36 36 LEU CA C 36 56.612 56.612 54.972 1.640 19860 1523 1 4 . 1 1 36 36 LEU CB C 36 41.899 41.899 40.950 0.949 19860 1524 1 4 . 1 1 36 36 LEU H H 36 8.845 8.845 8.503 0.342 19860 1525 1 4 . 1 1 37 37 THR N N 37 112.016 112.016 114.695 -2.679 19860 1526 1 4 . 1 1 37 37 THR HA H 37 4.904 4.904 4.341 0.563 19860 1527 1 4 . 1 1 37 37 THR C C 37 173.228 173.228 174.467 -1.239 19860 1528 1 4 . 1 1 37 37 THR CA C 37 61.023 61.023 61.266 -0.243 19860 1529 1 4 . 1 1 37 37 THR CB C 37 70.829 70.829 69.960 0.869 19860 1530 1 4 . 1 1 37 37 THR H H 37 7.374 7.374 7.543 -0.169 19860 1531 1 4 . 1 1 38 38 SER N N 38 111.049 111.049 119.234 -8.185 19860 1532 1 4 . 1 1 38 38 SER HA H 38 4.635 4.635 4.601 0.034 19860 1533 1 4 . 1 1 38 38 SER C C 38 174.606 174.606 173.002 1.604 19860 1534 1 4 . 1 1 38 38 SER CA C 38 57.957 57.957 56.563 1.394 19860 1535 1 4 . 1 1 38 38 SER CB C 38 63.849 63.849 63.108 0.741 19860 1536 1 4 . 1 1 38 38 SER H H 38 8.387 8.387 8.099 0.288 19860 1537 1 4 . 1 1 39 39 HIS N N 39 122.230 122.230 122.175 0.055 19860 1538 1 4 . 1 1 39 39 HIS HA H 39 4.768 4.768 4.185 0.583 19860 1539 1 4 . 1 1 39 39 HIS C C 39 173.143 173.143 174.546 -1.403 19860 1540 1 4 . 1 1 39 39 HIS CA C 39 56.328 56.328 57.245 -0.917 19860 1541 1 4 . 1 1 39 39 HIS CB C 39 29.938 29.938 29.620 0.318 19860 1542 1 4 . 1 1 39 39 HIS H H 39 8.424 8.424 7.507 0.917 19860 1543 1 4 . 1 1 40 40 VAL N N 40 126.582 126.582 121.288 5.294 19860 1544 1 4 . 1 1 40 40 VAL HA H 40 4.915 4.915 4.693 0.222 19860 1545 1 4 . 1 1 40 40 VAL C C 40 175.763 175.763 175.721 0.042 19860 1546 1 4 . 1 1 40 40 VAL CA C 40 60.612 60.612 60.513 0.099 19860 1547 1 4 . 1 1 40 40 VAL CB C 40 34.085 34.085 33.197 0.888 19860 1548 1 4 . 1 1 40 40 VAL H H 40 8.364 8.364 8.200 0.164 19860 1549 1 4 . 1 1 41 41 SER N N 41 121.067 121.067 120.006 1.061 19860 1550 1 4 . 1 1 41 41 SER HA H 41 4.947 4.947 5.006 -0.059 19860 1551 1 4 . 1 1 41 41 SER C C 41 174.505 174.505 173.640 0.865 19860 1552 1 4 . 1 1 41 41 SER CA C 41 57.001 57.001 57.125 -0.124 19860 1553 1 4 . 1 1 41 41 SER CB C 41 65.504 65.504 65.401 0.103 19860 1554 1 4 . 1 1 41 41 SER H H 41 9.297 9.297 9.161 0.136 19860 1555 1 4 . 1 1 42 42 LYS N N 42 123.812 123.812 121.521 2.291 19860 1556 1 4 . 1 1 42 42 LYS HA H 42 4.905 4.905 4.313 0.592 19860 1557 1 4 . 1 1 42 42 LYS C C 42 175.037 175.037 175.346 -0.309 19860 1558 1 4 . 1 1 42 42 LYS CA C 42 56.600 56.600 56.383 0.217 19860 1559 1 4 . 1 1 42 42 LYS CB C 42 32.827 32.827 32.479 0.348 19860 1560 1 4 . 1 1 42 42 LYS H H 42 8.962 8.962 8.550 0.412 19860 1561 1 4 . 1 1 43 43 ASN N N 43 115.779 115.779 117.735 -1.956 19860 1562 1 4 . 1 1 43 43 ASN HA H 43 4.906 4.906 4.784 0.122 19860 1563 1 4 . 1 1 43 43 ASN C C 43 173.479 173.479 173.764 -0.285 19860 1564 1 4 . 1 1 43 43 ASN CA C 43 51.840 51.840 52.373 -0.534 19860 1565 1 4 . 1 1 43 43 ASN CB C 43 40.763 40.763 41.269 -0.506 19860 1566 1 4 . 1 1 43 43 ASN H H 43 8.053 8.053 7.876 0.177 19860 1567 1 4 . 1 1 44 44 ARG N N 44 124.471 124.471 120.517 3.954 19860 1568 1 4 . 1 1 44 44 ARG HA H 44 3.217 3.217 4.112 -0.895 19860 1569 1 4 . 1 1 44 44 ARG C C 44 173.869 173.869 173.758 0.111 19860 1570 1 4 . 1 1 44 44 ARG CA C 44 54.034 54.034 53.411 0.623 19860 1571 1 4 . 1 1 44 44 ARG CB C 44 29.917 29.917 29.989 -0.072 19860 1572 1 4 . 1 1 44 44 ARG H H 44 8.565 8.565 8.390 0.175 19860 1573 1 4 . 1 1 45 45 PRO HA H 45 4.123 4.123 4.264 -0.141 19860 1574 1 4 . 1 1 45 45 PRO C C 45 176.434 176.434 176.493 -0.059 19860 1575 1 4 . 1 1 45 45 PRO CA C 45 62.292 62.292 62.235 0.057 19860 1576 1 4 . 1 1 45 45 PRO CB C 45 32.110 32.110 31.880 0.230 19860 1577 1 4 . 1 1 46 46 LYS N N 46 122.529 122.529 122.270 0.259 19860 1578 1 4 . 1 1 46 46 LYS HA H 46 4.110 4.110 4.264 -0.154 19860 1579 1 4 . 1 1 46 46 LYS C C 46 176.931 176.931 176.021 0.910 19860 1580 1 4 . 1 1 46 46 LYS CA C 46 57.000 57.000 56.857 0.143 19860 1581 1 4 . 1 1 46 46 LYS CB C 46 33.095 33.095 32.735 0.360 19860 1582 1 4 . 1 1 46 46 LYS H H 46 8.470 8.470 8.350 0.120 19860 1583 1 4 . 1 1 47 47 ASN N N 47 117.122 117.122 117.018 0.104 19860 1584 1 4 . 1 1 47 47 ASN HA H 47 4.589 4.589 4.753 -0.164 19860 1585 1 4 . 1 1 47 47 ASN C C 47 174.011 174.011 173.781 0.230 19860 1586 1 4 . 1 1 47 47 ASN CA C 47 53.493 53.493 52.704 0.789 19860 1587 1 4 . 1 1 47 47 ASN CB C 47 37.868 37.868 38.216 -0.348 19860 1588 1 4 . 1 1 47 47 ASN H H 47 8.745 8.745 8.168 0.577 19860 1589 1 4 . 1 1 48 48 ALA N N 48 119.908 119.908 123.277 -3.369 19860 1590 1 4 . 1 1 48 48 ALA HA H 48 4.609 4.609 4.653 -0.044 19860 1591 1 4 . 1 1 48 48 ALA C C 48 176.506 176.506 176.392 0.114 19860 1592 1 4 . 1 1 48 48 ALA CA C 48 51.136 51.136 51.072 0.064 19860 1593 1 4 . 1 1 48 48 ALA CB C 48 22.389 22.389 21.745 0.644 19860 1594 1 4 . 1 1 48 48 ALA H H 48 7.394 7.394 7.513 -0.119 19860 1595 1 4 . 1 1 49 49 ILE N N 49 123.192 123.192 122.192 1.000 19860 1596 1 4 . 1 1 49 49 ILE HA H 49 4.140 4.140 4.379 -0.239 19860 1597 1 4 . 1 1 49 49 ILE C C 49 174.731 174.731 175.213 -0.482 19860 1598 1 4 . 1 1 49 49 ILE CA C 49 61.597 61.597 60.219 1.378 19860 1599 1 4 . 1 1 49 49 ILE CB C 49 38.166 38.166 37.960 0.206 19860 1600 1 4 . 1 1 49 49 ILE H H 49 8.878 8.878 8.540 0.338 19860 1601 1 4 . 1 1 50 50 VAL N N 50 127.552 127.552 123.606 3.946 19860 1602 1 4 . 1 1 50 50 VAL HA H 50 5.289 5.289 5.589 -0.300 19860 1603 1 4 . 1 1 50 50 VAL C C 50 176.411 176.411 175.287 1.124 19860 1604 1 4 . 1 1 50 50 VAL CA C 50 60.499 60.499 59.479 1.020 19860 1605 1 4 . 1 1 50 50 VAL CB C 50 33.890 33.890 33.308 0.582 19860 1606 1 4 . 1 1 50 50 VAL H H 50 8.371 8.371 8.349 0.022 19860 1607 1 4 . 1 1 51 51 ILE N N 51 126.906 126.906 127.268 -0.362 19860 1608 1 4 . 1 1 51 51 ILE HA H 51 4.691 4.691 4.434 0.257 19860 1609 1 4 . 1 1 51 51 ILE C C 51 175.322 175.322 175.052 0.270 19860 1610 1 4 . 1 1 51 51 ILE CA C 51 59.439 59.439 60.254 -0.815 19860 1611 1 4 . 1 1 51 51 ILE CB C 51 41.189 41.189 40.721 0.468 19860 1612 1 4 . 1 1 51 51 ILE H H 51 9.314 9.314 8.451 0.863 19860 1613 1 4 . 1 1 52 52 LYS N N 52 123.523 123.523 126.950 -3.427 19860 1614 1 4 . 1 1 52 52 LYS HA H 52 4.686 4.686 4.579 0.107 19860 1615 1 4 . 1 1 52 52 LYS C C 52 178.237 178.237 177.982 0.255 19860 1616 1 4 . 1 1 52 52 LYS CA C 52 56.120 56.120 56.007 0.113 19860 1617 1 4 . 1 1 52 52 LYS CB C 52 33.392 33.392 33.739 -0.347 19860 1618 1 4 . 1 1 52 52 LYS H H 52 8.737 8.737 8.715 0.022 19860 1619 1 4 . 1 1 53 53 MET N N 53 119.701 119.701 122.666 -2.965 19860 1620 1 4 . 1 1 53 53 MET HA H 53 3.908 3.908 4.027 -0.119 19860 1621 1 4 . 1 1 53 53 MET C C 53 177.401 177.401 178.228 -0.827 19860 1622 1 4 . 1 1 53 53 MET CA C 53 58.725 58.725 60.208 -1.483 19860 1623 1 4 . 1 1 53 53 MET CB C 53 33.383 33.383 32.389 0.994 19860 1624 1 4 . 1 1 53 53 MET H H 53 8.799 8.799 8.415 0.384 19860 1625 1 4 . 1 1 54 54 ASP N N 54 113.357 113.357 117.670 -4.313 19860 1626 1 4 . 1 1 54 54 ASP HA H 54 4.288 4.288 4.377 -0.089 19860 1627 1 4 . 1 1 54 54 ASP C C 54 176.649 176.649 177.517 -0.868 19860 1628 1 4 . 1 1 54 54 ASP CA C 54 56.682 56.682 56.378 0.304 19860 1629 1 4 . 1 1 54 54 ASP CB C 54 40.670 40.670 40.681 -0.011 19860 1630 1 4 . 1 1 54 54 ASP H H 54 8.262 8.262 8.528 -0.266 19860 1631 1 4 . 1 1 55 55 ASN N N 55 114.935 114.935 117.044 -2.109 19860 1632 1 4 . 1 1 55 55 ASN HA H 55 5.001 5.001 4.687 0.314 19860 1633 1 4 . 1 1 55 55 ASN C C 55 175.032 175.032 175.358 -0.326 19860 1634 1 4 . 1 1 55 55 ASN CA C 55 52.897 52.897 53.448 -0.551 19860 1635 1 4 . 1 1 55 55 ASN CB C 55 39.184 39.184 39.228 -0.044 19860 1636 1 4 . 1 1 55 55 ASN H H 55 7.971 7.971 7.764 0.207 19860 1637 1 4 . 1 1 56 56 LEU N N 56 120.385 120.385 123.336 -2.951 19860 1638 1 4 . 1 1 56 56 LEU HA H 56 4.488 4.488 4.364 0.124 19860 1639 1 4 . 1 1 56 56 LEU C C 56 174.131 174.131 174.984 -0.853 19860 1640 1 4 . 1 1 56 56 LEU CA C 56 52.912 52.912 52.156 0.756 19860 1641 1 4 . 1 1 56 56 LEU CB C 56 41.958 41.958 41.092 0.866 19860 1642 1 4 . 1 1 56 56 LEU H H 56 7.331 7.331 7.447 -0.116 19860 1643 1 4 . 1 1 57 57 PRO HA H 57 4.617 4.617 4.556 0.061 19860 1644 1 4 . 1 1 57 57 PRO C C 57 178.627 178.627 177.775 0.852 19860 1645 1 4 . 1 1 57 57 PRO CA C 57 62.751 62.751 62.285 0.466 19860 1646 1 4 . 1 1 57 57 PRO CB C 57 32.718 32.718 32.443 0.275 19860 1647 1 4 . 1 1 58 58 ILE N N 58 125.295 125.295 118.589 6.706 19860 1648 1 4 . 1 1 58 58 ILE HA H 58 3.783 3.783 3.750 0.033 19860 1649 1 4 . 1 1 58 58 ILE C C 58 176.776 176.776 177.626 -0.850 19860 1650 1 4 . 1 1 58 58 ILE CA C 58 64.583 64.583 63.948 0.635 19860 1651 1 4 . 1 1 58 58 ILE CB C 58 37.959 37.959 37.114 0.846 19860 1652 1 4 . 1 1 58 58 ILE H H 58 8.882 8.882 8.470 0.412 19860 1653 1 4 . 1 1 59 59 GLU N N 59 118.869 118.869 120.588 -1.719 19860 1654 1 4 . 1 1 59 59 GLU HA H 59 4.254 4.254 4.037 0.217 19860 1655 1 4 . 1 1 59 59 GLU C C 59 179.370 179.370 179.026 0.344 19860 1656 1 4 . 1 1 59 59 GLU CA C 59 59.757 59.757 59.502 0.255 19860 1657 1 4 . 1 1 59 59 GLU CB C 59 29.053 29.053 29.087 -0.034 19860 1658 1 4 . 1 1 59 59 GLU H H 59 9.348 9.348 8.606 0.742 19860 1659 1 4 . 1 1 60 60 VAL N N 60 118.990 118.990 119.253 -0.263 19860 1660 1 4 . 1 1 60 60 VAL HA H 60 3.772 3.772 3.750 0.022 19860 1661 1 4 . 1 1 60 60 VAL C C 60 177.451 177.451 178.034 -0.583 19860 1662 1 4 . 1 1 60 60 VAL CA C 60 65.331 65.331 65.629 -0.298 19860 1663 1 4 . 1 1 60 60 VAL CB C 60 31.869 31.869 31.218 0.651 19860 1664 1 4 . 1 1 60 60 VAL H H 60 7.290 7.290 7.569 -0.279 19860 1665 1 4 . 1 1 61 61 LYS N N 61 120.824 120.824 120.347 0.477 19860 1666 1 4 . 1 1 61 61 LYS HA H 61 3.782 3.782 3.862 -0.080 19860 1667 1 4 . 1 1 61 61 LYS C C 61 179.444 179.444 178.722 0.722 19860 1668 1 4 . 1 1 61 61 LYS CA C 61 61.060 61.060 60.391 0.669 19860 1669 1 4 . 1 1 61 61 LYS CB C 61 32.196 32.196 31.893 0.303 19860 1670 1 4 . 1 1 61 61 LYS H H 61 8.043 8.043 8.153 -0.110 19860 1671 1 4 . 1 1 62 62 ASP N N 62 119.231 119.231 119.543 -0.312 19860 1672 1 4 . 1 1 62 62 ASP HA H 62 4.427 4.427 4.332 0.095 19860 1673 1 4 . 1 1 62 62 ASP C C 62 178.420 178.420 178.184 0.236 19860 1674 1 4 . 1 1 62 62 ASP CA C 62 57.851 57.851 57.710 0.141 19860 1675 1 4 . 1 1 62 62 ASP CB C 62 40.780 40.780 40.762 0.018 19860 1676 1 4 . 1 1 62 62 ASP H H 62 8.766 8.766 8.226 0.540 19860 1677 1 4 . 1 1 63 63 LYS N N 63 119.623 119.623 119.476 0.147 19860 1678 1 4 . 1 1 63 63 LYS HA H 63 4.025 4.025 4.053 -0.028 19860 1679 1 4 . 1 1 63 63 LYS C C 63 178.866 178.866 179.278 -0.412 19860 1680 1 4 . 1 1 63 63 LYS CA C 63 59.667 59.667 58.813 0.854 19860 1681 1 4 . 1 1 63 63 LYS CB C 63 32.929 32.929 32.147 0.782 19860 1682 1 4 . 1 1 63 63 LYS H H 63 7.391 7.391 7.471 -0.080 19860 1683 1 4 . 1 1 64 64 LEU N N 64 118.806 118.806 118.718 0.088 19860 1684 1 4 . 1 1 64 64 LEU HA H 64 4.216 4.216 3.867 0.349 19860 1685 1 4 . 1 1 64 64 LEU C C 64 178.793 178.793 178.935 -0.142 19860 1686 1 4 . 1 1 64 64 LEU CA C 64 58.011 58.011 57.806 0.205 19860 1687 1 4 . 1 1 64 64 LEU CB C 64 42.251 42.251 41.049 1.202 19860 1688 1 4 . 1 1 64 64 LEU H H 64 8.357 8.357 8.642 -0.285 19860 1689 1 4 . 1 1 65 65 THR N N 65 115.102 115.102 114.928 0.174 19860 1690 1 4 . 1 1 65 65 THR HA H 65 3.920 3.920 3.679 0.241 19860 1691 1 4 . 1 1 65 65 THR C C 65 176.410 176.410 176.196 0.214 19860 1692 1 4 . 1 1 65 65 THR CA C 65 66.705 66.705 66.929 -0.224 19860 1693 1 4 . 1 1 65 65 THR CB C 65 68.876 68.876 68.459 0.417 19860 1694 1 4 . 1 1 65 65 THR H H 65 8.343 8.343 8.223 0.120 19860 1695 1 4 . 1 1 66 66 ARG N N 66 119.405 119.405 119.227 0.178 19860 1696 1 4 . 1 1 66 66 ARG HA H 66 4.067 4.067 4.090 -0.023 19860 1697 1 4 . 1 1 66 66 ARG C C 66 177.988 177.988 177.747 0.241 19860 1698 1 4 . 1 1 66 66 ARG CA C 66 58.961 58.961 58.632 0.329 19860 1699 1 4 . 1 1 66 66 ARG CB C 66 30.302 30.302 30.248 0.054 19860 1700 1 4 . 1 1 66 66 ARG H H 66 7.832 7.832 7.656 0.176 19860 1701 1 4 . 1 1 67 67 PHE N N 67 117.304 117.304 119.510 -2.206 19860 1702 1 4 . 1 1 67 67 PHE HA H 67 4.323 4.323 4.385 -0.062 19860 1703 1 4 . 1 1 67 67 PHE C C 67 177.141 177.141 176.145 0.996 19860 1704 1 4 . 1 1 67 67 PHE CA C 67 59.989 59.989 60.825 -0.836 19860 1705 1 4 . 1 1 67 67 PHE CB C 67 39.269 39.269 40.288 -1.019 19860 1706 1 4 . 1 1 67 67 PHE H H 67 8.190 8.190 7.942 0.248 19860 1707 1 4 . 1 1 68 68 PHE N N 68 114.297 114.297 113.137 1.160 19860 1708 1 4 . 1 1 68 68 PHE HA H 68 4.696 4.696 4.843 -0.147 19860 1709 1 4 . 1 1 68 68 PHE C C 68 175.969 175.969 175.879 0.090 19860 1710 1 4 . 1 1 68 68 PHE CA C 68 59.112 59.112 57.965 1.147 19860 1711 1 4 . 1 1 68 68 PHE CB C 68 40.100 40.100 39.620 0.480 19860 1712 1 4 . 1 1 68 68 PHE H H 68 8.087 8.087 8.072 0.015 19860 1713 1 4 . 1 1 69 69 LEU N N 69 119.594 119.594 122.224 -2.630 19860 1714 1 4 . 1 1 69 69 LEU HA H 69 4.476 4.476 4.443 0.033 19860 1715 1 4 . 1 1 69 69 LEU C C 69 177.425 177.425 176.843 0.582 19860 1716 1 4 . 1 1 69 69 LEU CA C 69 55.805 55.805 54.672 1.133 19860 1717 1 4 . 1 1 69 69 LEU CB C 69 41.399 41.399 41.633 -0.234 19860 1718 1 4 . 1 1 69 69 LEU H H 69 7.823 7.823 7.601 0.222 19860 1719 1 4 . 1 1 70 70 LEU N N 70 119.723 119.723 116.017 3.706 19860 1720 1 4 . 1 1 70 70 LEU HA H 70 4.341 4.341 4.262 0.079 19860 1721 1 4 . 1 1 70 70 LEU C C 70 177.443 177.443 177.219 0.224 19860 1722 1 4 . 1 1 70 70 LEU CA C 70 55.288 55.288 55.295 -0.007 19860 1723 1 4 . 1 1 70 70 LEU CB C 70 42.205 42.205 40.872 1.333 19860 1724 1 4 . 1 1 70 70 LEU H H 70 7.905 7.905 7.347 0.558 19860 1725 1 4 . 1 1 71 71 GLU N N 71 120.533 120.533 120.577 -0.044 19860 1726 1 4 . 1 1 71 71 GLU HA H 71 4.200 4.200 4.124 0.076 19860 1727 1 4 . 1 1 71 71 GLU C C 71 176.250 176.250 175.665 0.585 19860 1728 1 4 . 1 1 71 71 GLU CA C 71 56.609 56.609 56.566 0.043 19860 1729 1 4 . 1 1 71 71 GLU CB C 71 30.475 30.475 28.569 1.906 19860 1730 1 4 . 1 1 71 71 GLU H H 71 8.244 8.244 7.601 0.643 19860 1731 1 4 . 1 1 72 72 HIS N N 72 119.783 119.783 121.065 -1.282 19860 1732 1 4 . 1 1 72 72 HIS HA H 72 4.623 4.623 4.812 -0.189 19860 1733 1 4 . 1 1 72 72 HIS C C 72 174.645 174.645 173.846 0.799 19860 1734 1 4 . 1 1 72 72 HIS CA C 72 55.737 55.737 55.775 -0.038 19860 1735 1 4 . 1 1 72 72 HIS CB C 72 29.901 29.901 32.580 -2.679 19860 1736 1 4 . 1 1 72 72 HIS H H 72 8.403 8.403 8.113 0.290 19860 1737 1 4 . 1 1 73 73 HIS N N 73 120.199 120.199 119.941 0.258 19860 1738 1 4 . 1 1 73 73 HIS HA H 73 4.625 4.625 4.931 -0.306 19860 1739 1 4 . 1 1 73 73 HIS C C 73 174.552 174.552 173.734 0.818 19860 1740 1 4 . 1 1 73 73 HIS CA C 73 55.754 55.754 55.492 0.262 19860 1741 1 4 . 1 1 73 73 HIS CB C 73 29.976 29.976 29.722 0.254 19860 1742 1 4 . 1 1 73 73 HIS H H 73 8.539 8.539 8.431 0.108 19860 1743 1 4 . 1 1 74 74 HIS N N 74 120.457 120.457 123.411 -2.954 19860 1744 1 4 . 1 1 74 74 HIS HA H 74 4.655 4.655 4.719 -0.064 19860 1745 1 4 . 1 1 74 74 HIS C C 74 174.638 174.638 174.884 -0.246 19860 1746 1 4 . 1 1 74 74 HIS CA C 74 55.771 55.771 56.087 -0.316 19860 1747 1 4 . 1 1 74 74 HIS CB C 74 29.916 29.916 30.640 -0.724 19860 1748 1 4 . 1 1 74 74 HIS H H 74 8.681 8.681 8.589 0.092 19860 1749 1 4 . 1 1 75 75 HIS N N 75 120.782 120.782 118.521 2.261 19860 1750 1 4 . 1 1 75 75 HIS HA H 75 4.671 4.671 4.572 0.099 19860 1751 1 4 . 1 1 75 75 HIS C C 75 174.525 174.525 176.073 -1.548 19860 1752 1 4 . 1 1 75 75 HIS CA C 75 55.758 55.758 55.939 -0.181 19860 1753 1 4 . 1 1 75 75 HIS CB C 75 29.934 29.934 29.953 -0.019 19860 1754 1 4 . 1 1 75 75 HIS H H 75 8.755 8.755 8.540 0.215 19860 1755 1 4 . 1 1 76 76 HIS N N 76 120.737 120.737 116.656 4.081 19860 1756 1 4 . 1 1 76 76 HIS HA H 76 4.666 4.666 4.102 0.564 19860 1757 1 4 . 1 1 76 76 HIS C C 76 173.873 173.873 175.717 -1.844 19860 1758 1 4 . 1 1 76 76 HIS CA C 76 55.921 55.921 58.514 -2.594 19860 1759 1 4 . 1 1 76 76 HIS CB C 76 29.848 29.848 28.399 1.449 19860 1760 1 4 . 1 1 76 76 HIS H H 76 8.693 8.693 8.752 -0.059 19860 1761 1 5 . 1 1 2 2 LEU HA H 2 4.435 4.435 4.621 -0.186 19860 1762 1 5 . 1 1 2 2 LEU C C 2 176.773 176.773 174.869 1.904 19860 1763 1 5 . 1 1 2 2 LEU CA C 2 55.299 55.299 56.128 -0.829 19860 1764 1 5 . 1 1 2 2 LEU CB C 2 42.529 42.529 42.632 -0.103 19860 1765 1 5 . 1 1 3 3 LYS N N 3 123.220 123.220 124.943 -1.723 19860 1766 1 5 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.389 -0.064 19860 1767 1 5 . 1 1 3 3 LYS C C 3 176.224 176.224 175.135 1.089 19860 1768 1 5 . 1 1 3 3 LYS CA C 3 56.344 56.344 55.601 0.743 19860 1769 1 5 . 1 1 3 3 LYS CB C 3 33.335 33.335 34.600 -1.265 19860 1770 1 5 . 1 1 3 3 LYS H H 3 8.520 8.520 8.076 0.444 19860 1771 1 5 . 1 1 4 4 HIS N N 4 119.727 119.727 120.938 -1.211 19860 1772 1 5 . 1 1 4 4 HIS HA H 4 4.721 4.721 4.532 0.189 19860 1773 1 5 . 1 1 4 4 HIS C C 4 175.318 175.318 174.498 0.820 19860 1774 1 5 . 1 1 4 4 HIS CA C 4 55.941 55.941 55.223 0.718 19860 1775 1 5 . 1 1 4 4 HIS CB C 4 30.636 30.636 28.714 1.922 19860 1776 1 5 . 1 1 4 4 HIS H H 4 8.486 8.486 8.255 0.231 19860 1777 1 5 . 1 1 5 5 GLY N N 5 110.318 110.318 110.170 0.148 19860 1778 1 5 . 1 1 5 5 GLY C C 5 172.966 172.966 171.997 0.969 19860 1779 1 5 . 1 1 5 5 GLY CA C 5 45.146 45.146 45.228 -0.082 19860 1780 1 5 . 1 1 5 5 GLY H H 5 8.602 8.602 8.035 0.567 19860 1781 1 5 . 1 1 6 6 LYS N N 6 120.808 120.808 124.680 -3.872 19860 1782 1 5 . 1 1 6 6 LYS HA H 6 4.438 4.438 4.579 -0.141 19860 1783 1 5 . 1 1 6 6 LYS C C 6 175.168 175.168 175.651 -0.483 19860 1784 1 5 . 1 1 6 6 LYS CA C 6 56.179 56.179 55.196 0.983 19860 1785 1 5 . 1 1 6 6 LYS CB C 6 34.277 34.277 34.309 -0.031 19860 1786 1 5 . 1 1 6 6 LYS H H 6 8.275 8.275 8.216 0.059 19860 1787 1 5 . 1 1 7 7 TYR N N 7 118.666 118.666 122.585 -3.919 19860 1788 1 5 . 1 1 7 7 TYR HA H 7 5.513 5.513 5.033 0.480 19860 1789 1 5 . 1 1 7 7 TYR C C 7 176.004 176.004 176.270 -0.266 19860 1790 1 5 . 1 1 7 7 TYR CA C 7 56.971 56.971 58.114 -1.143 19860 1791 1 5 . 1 1 7 7 TYR CB C 7 41.032 41.032 38.493 2.539 19860 1792 1 5 . 1 1 7 7 TYR H H 7 8.351 8.351 8.701 -0.350 19860 1793 1 5 . 1 1 8 8 VAL N N 8 115.920 115.920 119.757 -3.837 19860 1794 1 5 . 1 1 8 8 VAL HA H 8 4.860 4.860 4.596 0.264 19860 1795 1 5 . 1 1 8 8 VAL C C 8 173.220 173.220 173.615 -0.395 19860 1796 1 5 . 1 1 8 8 VAL CA C 8 59.694 59.694 59.593 0.101 19860 1797 1 5 . 1 1 8 8 VAL CB C 8 35.246 35.246 34.371 0.875 19860 1798 1 5 . 1 1 8 8 VAL H H 8 9.057 9.057 8.919 0.138 19860 1799 1 5 . 1 1 9 9 TYR N N 9 118.786 118.786 118.389 0.397 19860 1800 1 5 . 1 1 9 9 TYR HA H 9 5.515 5.515 5.607 -0.092 19860 1801 1 5 . 1 1 9 9 TYR C C 9 175.072 175.072 175.976 -0.904 19860 1802 1 5 . 1 1 9 9 TYR CA C 9 56.576 56.576 56.020 0.556 19860 1803 1 5 . 1 1 9 9 TYR CB C 9 41.532 41.532 42.121 -0.589 19860 1804 1 5 . 1 1 9 9 TYR H H 9 9.117 9.117 8.585 0.532 19860 1805 1 5 . 1 1 10 10 ILE N N 10 121.376 121.376 122.424 -1.048 19860 1806 1 5 . 1 1 10 10 ILE HA H 10 4.887 4.887 4.559 0.328 19860 1807 1 5 . 1 1 10 10 ILE C C 10 176.044 176.044 176.143 -0.099 19860 1808 1 5 . 1 1 10 10 ILE CA C 10 58.948 58.948 58.601 0.347 19860 1809 1 5 . 1 1 10 10 ILE CB C 10 38.537 38.537 37.767 0.770 19860 1810 1 5 . 1 1 10 10 ILE H H 10 9.514 9.514 9.098 0.416 19860 1811 1 5 . 1 1 11 11 ASP N N 11 126.501 126.501 128.030 -1.529 19860 1812 1 5 . 1 1 11 11 ASP HA H 11 4.390 4.390 4.451 -0.061 19860 1813 1 5 . 1 1 11 11 ASP C C 11 175.850 175.850 176.316 -0.466 19860 1814 1 5 . 1 1 11 11 ASP CA C 11 53.377 53.377 53.999 -0.622 19860 1815 1 5 . 1 1 11 11 ASP CB C 11 41.808 41.808 40.584 1.224 19860 1816 1 5 . 1 1 11 11 ASP H H 11 8.676 8.676 8.843 -0.167 19860 1817 1 5 . 1 1 12 12 LEU N N 12 127.505 127.505 124.971 2.534 19860 1818 1 5 . 1 1 12 12 LEU HA H 12 4.319 4.319 4.145 0.174 19860 1819 1 5 . 1 1 12 12 LEU C C 12 176.132 176.132 177.809 -1.677 19860 1820 1 5 . 1 1 12 12 LEU CA C 12 55.439 55.439 55.813 -0.374 19860 1821 1 5 . 1 1 12 12 LEU CB C 12 40.312 40.312 41.928 -1.617 19860 1822 1 5 . 1 1 12 12 LEU H H 12 7.692 7.692 7.610 0.082 19860 1823 1 5 . 1 1 13 13 ASN N N 13 114.351 114.351 113.489 0.862 19860 1824 1 5 . 1 1 13 13 ASN HA H 13 4.391 4.391 4.155 0.236 19860 1825 1 5 . 1 1 13 13 ASN C C 13 174.440 174.440 175.141 -0.701 19860 1826 1 5 . 1 1 13 13 ASN CA C 13 54.482 54.482 54.585 -0.103 19860 1827 1 5 . 1 1 13 13 ASN CB C 13 37.861 37.861 37.608 0.254 19860 1828 1 5 . 1 1 13 13 ASN H H 13 9.187 9.187 7.936 1.251 19860 1829 1 5 . 1 1 14 14 ASN N N 14 115.057 115.057 116.929 -1.872 19860 1830 1 5 . 1 1 14 14 ASN HA H 14 4.779 4.779 4.703 0.076 19860 1831 1 5 . 1 1 14 14 ASN C C 14 176.213 176.213 175.569 0.644 19860 1832 1 5 . 1 1 14 14 ASN CA C 14 52.149 52.149 52.681 -0.532 19860 1833 1 5 . 1 1 14 14 ASN CB C 14 38.727 38.727 37.767 0.961 19860 1834 1 5 . 1 1 14 14 ASN H H 14 7.737 7.737 8.036 -0.299 19860 1835 1 5 . 1 1 15 15 GLY N N 15 110.453 110.453 106.557 3.896 19860 1836 1 5 . 1 1 15 15 GLY C C 15 172.968 172.968 173.318 -0.350 19860 1837 1 5 . 1 1 15 15 GLY CA C 15 45.136 45.136 45.039 0.097 19860 1838 1 5 . 1 1 15 15 GLY H H 15 8.744 8.744 8.074 0.670 19860 1839 1 5 . 1 1 16 16 LYS N N 16 116.557 116.557 118.852 -2.295 19860 1840 1 5 . 1 1 16 16 LYS HA H 16 4.992 4.992 5.147 -0.155 19860 1841 1 5 . 1 1 16 16 LYS C C 16 175.214 175.214 174.027 1.187 19860 1842 1 5 . 1 1 16 16 LYS CA C 16 54.653 54.653 54.728 -0.075 19860 1843 1 5 . 1 1 16 16 LYS CB C 16 35.359 35.359 36.023 -0.664 19860 1844 1 5 . 1 1 16 16 LYS H H 16 7.559 7.559 7.391 0.168 19860 1845 1 5 . 1 1 17 17 TYR N N 17 117.020 117.020 117.464 -0.444 19860 1846 1 5 . 1 1 17 17 TYR HA H 17 5.551 5.551 4.814 0.737 19860 1847 1 5 . 1 1 17 17 TYR C C 17 175.491 175.491 174.316 1.175 19860 1848 1 5 . 1 1 17 17 TYR CA C 17 56.255 56.255 57.432 -1.177 19860 1849 1 5 . 1 1 17 17 TYR CB C 17 42.270 42.270 42.878 -0.608 19860 1850 1 5 . 1 1 17 17 TYR H H 17 8.577 8.577 9.058 -0.481 19860 1851 1 5 . 1 1 18 18 VAL N N 18 121.032 121.032 121.592 -0.560 19860 1852 1 5 . 1 1 18 18 VAL HA H 18 5.027 5.027 4.558 0.469 19860 1853 1 5 . 1 1 18 18 VAL C C 18 174.046 174.046 174.171 -0.125 19860 1854 1 5 . 1 1 18 18 VAL CA C 18 59.711 59.711 60.429 -0.718 19860 1855 1 5 . 1 1 18 18 VAL CB C 18 35.076 35.076 34.469 0.607 19860 1856 1 5 . 1 1 18 18 VAL H H 18 8.829 8.829 8.415 0.414 19860 1857 1 5 . 1 1 19 19 LYS N N 19 130.251 130.251 129.692 0.559 19860 1858 1 5 . 1 1 19 19 LYS HA H 19 4.055 4.055 4.689 -0.634 19860 1859 1 5 . 1 1 19 19 LYS C C 19 175.628 175.628 175.025 0.603 19860 1860 1 5 . 1 1 19 19 LYS CA C 19 56.975 56.975 55.003 1.972 19860 1861 1 5 . 1 1 19 19 LYS CB C 19 33.380 33.380 33.561 -0.181 19860 1862 1 5 . 1 1 19 19 LYS H H 19 8.388 8.388 8.111 0.277 19860 1863 1 5 . 1 1 20 20 VAL N N 20 127.530 127.530 125.615 1.915 19860 1864 1 5 . 1 1 20 20 VAL HA H 20 4.946 4.946 4.372 0.574 19860 1865 1 5 . 1 1 20 20 VAL C C 20 173.581 173.581 173.753 -0.172 19860 1866 1 5 . 1 1 20 20 VAL CA C 20 60.483 60.483 59.051 1.432 19860 1867 1 5 . 1 1 20 20 VAL CB C 20 35.665 35.665 35.838 -0.173 19860 1868 1 5 . 1 1 20 20 VAL H H 20 9.428 9.428 9.023 0.405 19860 1869 1 5 . 1 1 21 21 ARG N N 21 125.804 125.804 128.947 -3.143 19860 1870 1 5 . 1 1 21 21 ARG HA H 21 4.716 4.716 4.651 0.065 19860 1871 1 5 . 1 1 21 21 ARG C C 21 174.905 174.905 174.970 -0.065 19860 1872 1 5 . 1 1 21 21 ARG CA C 21 54.864 54.864 54.982 -0.118 19860 1873 1 5 . 1 1 21 21 ARG CB C 21 32.881 32.881 30.674 2.207 19860 1874 1 5 . 1 1 21 21 ARG H H 21 9.084 9.084 8.620 0.464 19860 1875 1 5 . 1 1 22 22 ILE N N 22 124.167 124.167 127.326 -3.159 19860 1876 1 5 . 1 1 22 22 ILE HA H 22 4.624 4.624 4.265 0.359 19860 1877 1 5 . 1 1 22 22 ILE C C 22 175.887 175.887 174.735 1.152 19860 1878 1 5 . 1 1 22 22 ILE CA C 22 59.717 59.717 58.484 1.233 19860 1879 1 5 . 1 1 22 22 ILE CB C 22 38.699 38.699 36.727 1.972 19860 1880 1 5 . 1 1 22 22 ILE H H 22 8.554 8.554 8.918 -0.364 19860 1881 1 5 . 1 1 23 23 LEU N N 23 128.981 128.981 129.718 -0.737 19860 1882 1 5 . 1 1 23 23 LEU HA H 23 4.663 4.663 4.581 0.082 19860 1883 1 5 . 1 1 23 23 LEU C C 23 176.174 176.174 176.145 0.029 19860 1884 1 5 . 1 1 23 23 LEU CA C 23 53.897 53.897 54.252 -0.355 19860 1885 1 5 . 1 1 23 23 LEU CB C 23 43.556 43.556 41.558 1.998 19860 1886 1 5 . 1 1 23 23 LEU H H 23 8.835 8.835 9.050 -0.215 19860 1887 1 5 . 1 1 24 24 LYS N N 24 122.797 122.797 126.696 -3.899 19860 1888 1 5 . 1 1 24 24 LYS HA H 24 4.568 4.568 4.409 0.159 19860 1889 1 5 . 1 1 24 24 LYS C C 24 176.407 176.407 176.114 0.293 19860 1890 1 5 . 1 1 24 24 LYS CA C 24 55.808 55.808 56.009 -0.201 19860 1891 1 5 . 1 1 24 24 LYS CB C 24 34.082 34.082 32.843 1.239 19860 1892 1 5 . 1 1 24 24 LYS H H 24 8.566 8.566 8.195 0.371 19860 1893 1 5 . 1 1 25 25 SER N N 25 118.453 118.453 125.678 -7.225 19860 1894 1 5 . 1 1 25 25 SER HA H 25 4.477 4.477 5.004 -0.527 19860 1895 1 5 . 1 1 25 25 SER C C 25 175.038 175.038 174.133 0.905 19860 1896 1 5 . 1 1 25 25 SER CA C 25 58.146 58.146 57.202 0.944 19860 1897 1 5 . 1 1 25 25 SER CB C 25 63.977 63.977 62.303 1.674 19860 1898 1 5 . 1 1 25 25 SER H H 25 8.668 8.668 9.192 -0.524 19860 1899 1 5 . 1 1 26 26 ARG N N 26 123.008 123.008 125.184 -2.176 19860 1900 1 5 . 1 1 26 26 ARG HA H 26 4.284 4.284 4.354 -0.070 19860 1901 1 5 . 1 1 26 26 ARG C C 26 176.640 176.640 176.258 0.382 19860 1902 1 5 . 1 1 26 26 ARG CA C 26 57.171 57.171 58.145 -0.974 19860 1903 1 5 . 1 1 26 26 ARG CB C 26 30.748 30.748 30.302 0.446 19860 1904 1 5 . 1 1 26 26 ARG H H 26 8.667 8.667 7.469 1.198 19860 1905 1 5 . 1 1 27 27 ASP N N 27 118.281 118.281 116.858 1.423 19860 1906 1 5 . 1 1 27 27 ASP HA H 27 4.598 4.598 4.425 0.173 19860 1907 1 5 . 1 1 27 27 ASP C C 27 176.028 176.028 176.836 -0.808 19860 1908 1 5 . 1 1 27 27 ASP CA C 27 54.657 54.657 56.218 -1.561 19860 1909 1 5 . 1 1 27 27 ASP CB C 27 41.416 41.416 40.114 1.302 19860 1910 1 5 . 1 1 27 27 ASP H H 27 8.246 8.246 8.270 -0.024 19860 1911 1 5 . 1 1 28 28 ASP N N 28 118.646 118.646 118.664 -0.018 19860 1912 1 5 . 1 1 28 28 ASP HA H 28 4.563 4.563 4.559 0.004 19860 1913 1 5 . 1 1 28 28 ASP C C 28 176.165 176.165 176.249 -0.084 19860 1914 1 5 . 1 1 28 28 ASP CA C 28 54.822 54.822 54.855 -0.033 19860 1915 1 5 . 1 1 28 28 ASP CB C 28 41.150 41.150 42.078 -0.928 19860 1916 1 5 . 1 1 28 28 ASP H H 28 8.034 8.034 7.773 0.261 19860 1917 1 5 . 1 1 29 29 ASN N N 29 117.519 117.519 114.164 3.355 19860 1918 1 5 . 1 1 29 29 ASN HA H 29 4.734 4.734 4.721 0.013 19860 1919 1 5 . 1 1 29 29 ASN C C 29 175.116 175.116 173.934 1.182 19860 1920 1 5 . 1 1 29 29 ASN CA C 29 53.951 53.951 53.764 0.187 19860 1921 1 5 . 1 1 29 29 ASN CB C 29 38.779 38.779 39.315 -0.536 19860 1922 1 5 . 1 1 29 29 ASN H H 29 8.473 8.473 8.324 0.149 19860 1923 1 5 . 1 1 30 30 SER N N 30 114.910 114.910 115.533 -0.623 19860 1924 1 5 . 1 1 30 30 SER HA H 30 4.493 4.493 4.609 -0.116 19860 1925 1 5 . 1 1 30 30 SER C C 30 174.235 174.235 173.195 1.040 19860 1926 1 5 . 1 1 30 30 SER CA C 30 58.669 58.669 58.130 0.538 19860 1927 1 5 . 1 1 30 30 SER CB C 30 64.403 64.403 64.440 -0.037 19860 1928 1 5 . 1 1 30 30 SER H H 30 8.206 8.206 8.425 -0.219 19860 1929 1 5 . 1 1 31 31 VAL N N 31 121.640 121.640 124.565 -2.925 19860 1930 1 5 . 1 1 31 31 VAL HA H 31 4.090 4.090 4.068 0.022 19860 1931 1 5 . 1 1 31 31 VAL C C 31 175.873 175.873 174.610 1.263 19860 1932 1 5 . 1 1 31 31 VAL CA C 31 62.939 62.939 62.157 0.782 19860 1933 1 5 . 1 1 31 31 VAL CB C 31 32.878 32.878 31.498 1.380 19860 1934 1 5 . 1 1 31 31 VAL H H 31 8.242 8.242 7.471 0.771 19860 1935 1 5 . 1 1 32 32 GLU N N 32 125.144 125.144 128.862 -3.718 19860 1936 1 5 . 1 1 32 32 GLU HA H 32 4.417 4.417 5.162 -0.745 19860 1937 1 5 . 1 1 32 32 GLU C C 32 175.532 175.532 175.905 -0.373 19860 1938 1 5 . 1 1 32 32 GLU CA C 32 56.886 56.886 55.095 1.791 19860 1939 1 5 . 1 1 32 32 GLU CB C 32 31.059 31.059 30.601 0.458 19860 1940 1 5 . 1 1 32 32 GLU H H 32 8.679 8.679 8.809 -0.130 19860 1941 1 5 . 1 1 33 33 LYS N N 33 120.222 120.222 126.776 -6.554 19860 1942 1 5 . 1 1 33 33 LYS HA H 33 4.574 4.574 4.608 -0.034 19860 1943 1 5 . 1 1 33 33 LYS C C 33 174.194 174.194 175.446 -1.252 19860 1944 1 5 . 1 1 33 33 LYS CA C 33 55.324 55.324 55.686 -0.362 19860 1945 1 5 . 1 1 33 33 LYS CB C 33 35.258 35.258 33.281 1.977 19860 1946 1 5 . 1 1 33 33 LYS H H 33 8.229 8.229 8.946 -0.717 19860 1947 1 5 . 1 1 34 34 TYR N N 34 121.014 121.014 123.793 -2.779 19860 1948 1 5 . 1 1 34 34 TYR HA H 34 4.910 4.910 4.703 0.207 19860 1949 1 5 . 1 1 34 34 TYR C C 34 175.667 175.667 176.890 -1.223 19860 1950 1 5 . 1 1 34 34 TYR CA C 34 56.984 56.984 57.344 -0.360 19860 1951 1 5 . 1 1 34 34 TYR CB C 34 40.036 40.036 38.777 1.259 19860 1952 1 5 . 1 1 34 34 TYR H H 34 8.552 8.552 8.758 -0.206 19860 1953 1 5 . 1 1 35 35 VAL N N 35 124.624 124.624 122.753 1.871 19860 1954 1 5 . 1 1 35 35 VAL HA H 35 4.301 4.301 4.032 0.269 19860 1955 1 5 . 1 1 35 35 VAL C C 35 175.490 175.490 176.609 -1.119 19860 1956 1 5 . 1 1 35 35 VAL CA C 35 61.869 61.869 62.401 -0.532 19860 1957 1 5 . 1 1 35 35 VAL CB C 35 33.510 33.510 33.059 0.451 19860 1958 1 5 . 1 1 35 35 VAL H H 35 9.337 9.337 8.314 1.023 19860 1959 1 5 . 1 1 36 36 LEU N N 36 127.814 127.814 125.000 2.814 19860 1960 1 5 . 1 1 36 36 LEU HA H 36 4.326 4.326 4.407 -0.081 19860 1961 1 5 . 1 1 36 36 LEU C C 36 177.355 177.355 176.935 0.420 19860 1962 1 5 . 1 1 36 36 LEU CA C 36 56.612 56.612 54.852 1.760 19860 1963 1 5 . 1 1 36 36 LEU CB C 36 41.899 41.899 41.107 0.792 19860 1964 1 5 . 1 1 36 36 LEU H H 36 8.845 8.845 8.404 0.441 19860 1965 1 5 . 1 1 37 37 THR N N 37 112.016 112.016 111.951 0.065 19860 1966 1 5 . 1 1 37 37 THR HA H 37 4.904 4.904 4.311 0.593 19860 1967 1 5 . 1 1 37 37 THR C C 37 173.228 173.228 174.052 -0.824 19860 1968 1 5 . 1 1 37 37 THR CA C 37 61.023 61.023 62.286 -1.263 19860 1969 1 5 . 1 1 37 37 THR CB C 37 70.829 70.829 69.349 1.480 19860 1970 1 5 . 1 1 37 37 THR H H 37 7.374 7.374 7.911 -0.537 19860 1971 1 5 . 1 1 38 38 SER N N 38 111.049 111.049 118.764 -7.715 19860 1972 1 5 . 1 1 38 38 SER HA H 38 4.635 4.635 4.671 -0.036 19860 1973 1 5 . 1 1 38 38 SER C C 38 174.606 174.606 173.516 1.090 19860 1974 1 5 . 1 1 38 38 SER CA C 38 57.957 57.957 56.633 1.324 19860 1975 1 5 . 1 1 38 38 SER CB C 38 63.849 63.849 63.533 0.316 19860 1976 1 5 . 1 1 38 38 SER H H 38 8.387 8.387 8.311 0.076 19860 1977 1 5 . 1 1 39 39 HIS N N 39 122.230 122.230 122.012 0.218 19860 1978 1 5 . 1 1 39 39 HIS HA H 39 4.768 4.768 4.033 0.735 19860 1979 1 5 . 1 1 39 39 HIS C C 39 173.143 173.143 174.552 -1.409 19860 1980 1 5 . 1 1 39 39 HIS CA C 39 56.328 56.328 57.254 -0.926 19860 1981 1 5 . 1 1 39 39 HIS CB C 39 29.938 29.938 30.411 -0.473 19860 1982 1 5 . 1 1 39 39 HIS H H 39 8.424 8.424 7.328 1.096 19860 1983 1 5 . 1 1 40 40 VAL N N 40 126.582 126.582 120.209 6.373 19860 1984 1 5 . 1 1 40 40 VAL HA H 40 4.915 4.915 4.880 0.035 19860 1985 1 5 . 1 1 40 40 VAL C C 40 175.763 175.763 175.229 0.534 19860 1986 1 5 . 1 1 40 40 VAL CA C 40 60.612 60.612 59.881 0.731 19860 1987 1 5 . 1 1 40 40 VAL CB C 40 34.085 34.085 33.430 0.655 19860 1988 1 5 . 1 1 40 40 VAL H H 40 8.364 8.364 8.323 0.041 19860 1989 1 5 . 1 1 41 41 SER N N 41 121.067 121.067 118.257 2.810 19860 1990 1 5 . 1 1 41 41 SER HA H 41 4.947 4.947 4.992 -0.045 19860 1991 1 5 . 1 1 41 41 SER C C 41 174.505 174.505 173.895 0.610 19860 1992 1 5 . 1 1 41 41 SER CA C 41 57.001 57.001 56.786 0.215 19860 1993 1 5 . 1 1 41 41 SER CB C 41 65.504 65.504 65.447 0.057 19860 1994 1 5 . 1 1 41 41 SER H H 41 9.297 9.297 9.072 0.225 19860 1995 1 5 . 1 1 42 42 LYS N N 42 123.812 123.812 123.517 0.295 19860 1996 1 5 . 1 1 42 42 LYS HA H 42 4.905 4.905 4.387 0.518 19860 1997 1 5 . 1 1 42 42 LYS C C 42 175.037 175.037 175.694 -0.657 19860 1998 1 5 . 1 1 42 42 LYS CA C 42 56.600 56.600 55.965 0.635 19860 1999 1 5 . 1 1 42 42 LYS CB C 42 32.827 32.827 32.568 0.259 19860 2000 1 5 . 1 1 42 42 LYS H H 42 8.962 8.962 8.566 0.396 19860 2001 1 5 . 1 1 43 43 ASN N N 43 115.779 115.779 119.469 -3.690 19860 2002 1 5 . 1 1 43 43 ASN HA H 43 4.906 4.906 4.621 0.285 19860 2003 1 5 . 1 1 43 43 ASN C C 43 173.479 173.479 174.346 -0.867 19860 2004 1 5 . 1 1 43 43 ASN CA C 43 51.840 51.840 53.207 -1.367 19860 2005 1 5 . 1 1 43 43 ASN CB C 43 40.763 40.763 39.337 1.426 19860 2006 1 5 . 1 1 43 43 ASN H H 43 8.053 8.053 7.440 0.613 19860 2007 1 5 . 1 1 44 44 ARG N N 44 124.471 124.471 122.642 1.829 19860 2008 1 5 . 1 1 44 44 ARG HA H 44 3.217 3.217 3.991 -0.774 19860 2009 1 5 . 1 1 44 44 ARG C C 44 173.869 173.869 173.440 0.429 19860 2010 1 5 . 1 1 44 44 ARG CA C 44 54.034 54.034 53.200 0.834 19860 2011 1 5 . 1 1 44 44 ARG CB C 44 29.917 29.917 30.147 -0.230 19860 2012 1 5 . 1 1 44 44 ARG H H 44 8.565 8.565 8.307 0.258 19860 2013 1 5 . 1 1 45 45 PRO HA H 45 4.123 4.123 4.378 -0.255 19860 2014 1 5 . 1 1 45 45 PRO C C 45 176.434 176.434 176.165 0.269 19860 2015 1 5 . 1 1 45 45 PRO CA C 45 62.292 62.292 62.026 0.266 19860 2016 1 5 . 1 1 45 45 PRO CB C 45 32.110 32.110 32.357 -0.247 19860 2017 1 5 . 1 1 46 46 LYS N N 46 122.529 122.529 121.805 0.724 19860 2018 1 5 . 1 1 46 46 LYS HA H 46 4.110 4.110 4.190 -0.080 19860 2019 1 5 . 1 1 46 46 LYS C C 46 176.931 176.931 177.025 -0.094 19860 2020 1 5 . 1 1 46 46 LYS CA C 46 57.000 57.000 56.879 0.121 19860 2021 1 5 . 1 1 46 46 LYS CB C 46 33.095 33.095 32.550 0.545 19860 2022 1 5 . 1 1 46 46 LYS H H 46 8.470 8.470 8.581 -0.111 19860 2023 1 5 . 1 1 47 47 ASN N N 47 117.122 117.122 117.663 -0.541 19860 2024 1 5 . 1 1 47 47 ASN HA H 47 4.589 4.589 4.641 -0.052 19860 2025 1 5 . 1 1 47 47 ASN C C 47 174.011 174.011 175.070 -1.059 19860 2026 1 5 . 1 1 47 47 ASN CA C 47 53.493 53.493 53.307 0.186 19860 2027 1 5 . 1 1 47 47 ASN CB C 47 37.868 37.868 38.136 -0.269 19860 2028 1 5 . 1 1 47 47 ASN H H 47 8.745 8.745 7.975 0.770 19860 2029 1 5 . 1 1 48 48 ALA N N 48 119.908 119.908 123.034 -3.126 19860 2030 1 5 . 1 1 48 48 ALA HA H 48 4.609 4.609 4.440 0.169 19860 2031 1 5 . 1 1 48 48 ALA C C 48 176.506 176.506 176.840 -0.334 19860 2032 1 5 . 1 1 48 48 ALA CA C 48 51.136 51.136 51.142 -0.006 19860 2033 1 5 . 1 1 48 48 ALA CB C 48 22.389 22.389 20.715 1.673 19860 2034 1 5 . 1 1 48 48 ALA H H 48 7.394 7.394 7.408 -0.014 19860 2035 1 5 . 1 1 49 49 ILE N N 49 123.192 123.192 121.061 2.131 19860 2036 1 5 . 1 1 49 49 ILE HA H 49 4.140 4.140 4.216 -0.076 19860 2037 1 5 . 1 1 49 49 ILE C C 49 174.731 174.731 175.483 -0.752 19860 2038 1 5 . 1 1 49 49 ILE CA C 49 61.597 61.597 60.237 1.360 19860 2039 1 5 . 1 1 49 49 ILE CB C 49 38.166 38.166 37.090 1.076 19860 2040 1 5 . 1 1 49 49 ILE H H 49 8.878 8.878 8.429 0.449 19860 2041 1 5 . 1 1 50 50 VAL N N 50 127.552 127.552 124.314 3.238 19860 2042 1 5 . 1 1 50 50 VAL HA H 50 5.289 5.289 5.608 -0.319 19860 2043 1 5 . 1 1 50 50 VAL C C 50 176.411 176.411 175.501 0.910 19860 2044 1 5 . 1 1 50 50 VAL CA C 50 60.499 60.499 59.986 0.513 19860 2045 1 5 . 1 1 50 50 VAL CB C 50 33.890 33.890 33.430 0.460 19860 2046 1 5 . 1 1 50 50 VAL H H 50 8.371 8.371 8.279 0.092 19860 2047 1 5 . 1 1 51 51 ILE N N 51 126.906 126.906 127.326 -0.420 19860 2048 1 5 . 1 1 51 51 ILE HA H 51 4.691 4.691 4.435 0.256 19860 2049 1 5 . 1 1 51 51 ILE C C 51 175.322 175.322 175.331 -0.009 19860 2050 1 5 . 1 1 51 51 ILE CA C 51 59.439 59.439 60.247 -0.808 19860 2051 1 5 . 1 1 51 51 ILE CB C 51 41.189 41.189 40.659 0.530 19860 2052 1 5 . 1 1 51 51 ILE H H 51 9.314 9.314 9.006 0.308 19860 2053 1 5 . 1 1 52 52 LYS N N 52 123.523 123.523 126.446 -2.923 19860 2054 1 5 . 1 1 52 52 LYS HA H 52 4.686 4.686 4.392 0.294 19860 2055 1 5 . 1 1 52 52 LYS C C 52 178.237 178.237 178.024 0.213 19860 2056 1 5 . 1 1 52 52 LYS CA C 52 56.120 56.120 56.592 -0.472 19860 2057 1 5 . 1 1 52 52 LYS CB C 52 33.392 33.392 33.513 -0.121 19860 2058 1 5 . 1 1 52 52 LYS H H 52 8.737 8.737 8.772 -0.035 19860 2059 1 5 . 1 1 53 53 MET N N 53 119.701 119.701 124.313 -4.612 19860 2060 1 5 . 1 1 53 53 MET HA H 53 3.908 3.908 4.105 -0.197 19860 2061 1 5 . 1 1 53 53 MET C C 53 177.401 177.401 178.053 -0.652 19860 2062 1 5 . 1 1 53 53 MET CA C 53 58.725 58.725 60.111 -1.386 19860 2063 1 5 . 1 1 53 53 MET CB C 53 33.383 33.383 32.429 0.954 19860 2064 1 5 . 1 1 53 53 MET H H 53 8.799 8.799 9.145 -0.346 19860 2065 1 5 . 1 1 54 54 ASP N N 54 113.357 113.357 117.597 -4.240 19860 2066 1 5 . 1 1 54 54 ASP HA H 54 4.288 4.288 4.415 -0.127 19860 2067 1 5 . 1 1 54 54 ASP C C 54 176.649 176.649 177.338 -0.689 19860 2068 1 5 . 1 1 54 54 ASP CA C 54 56.682 56.682 56.393 0.289 19860 2069 1 5 . 1 1 54 54 ASP CB C 54 40.670 40.670 40.727 -0.057 19860 2070 1 5 . 1 1 54 54 ASP H H 54 8.262 8.262 8.516 -0.254 19860 2071 1 5 . 1 1 55 55 ASN N N 55 114.935 114.935 116.987 -2.052 19860 2072 1 5 . 1 1 55 55 ASN HA H 55 5.001 5.001 4.766 0.235 19860 2073 1 5 . 1 1 55 55 ASN C C 55 175.032 175.032 175.285 -0.253 19860 2074 1 5 . 1 1 55 55 ASN CA C 55 52.897 52.897 53.332 -0.435 19860 2075 1 5 . 1 1 55 55 ASN CB C 55 39.184 39.184 39.392 -0.208 19860 2076 1 5 . 1 1 55 55 ASN H H 55 7.971 7.971 7.924 0.047 19860 2077 1 5 . 1 1 56 56 LEU N N 56 120.385 120.385 123.406 -3.021 19860 2078 1 5 . 1 1 56 56 LEU HA H 56 4.488 4.488 4.746 -0.258 19860 2079 1 5 . 1 1 56 56 LEU C C 56 174.131 174.131 174.941 -0.810 19860 2080 1 5 . 1 1 56 56 LEU CA C 56 52.912 52.912 52.161 0.751 19860 2081 1 5 . 1 1 56 56 LEU CB C 56 41.958 41.958 41.468 0.490 19860 2082 1 5 . 1 1 56 56 LEU H H 56 7.331 7.331 7.521 -0.190 19860 2083 1 5 . 1 1 57 57 PRO HA H 57 4.617 4.617 4.452 0.165 19860 2084 1 5 . 1 1 57 57 PRO C C 57 178.627 178.627 177.718 0.909 19860 2085 1 5 . 1 1 57 57 PRO CA C 57 62.751 62.751 62.732 0.019 19860 2086 1 5 . 1 1 57 57 PRO CB C 57 32.718 32.718 32.146 0.572 19860 2087 1 5 . 1 1 58 58 ILE N N 58 125.295 125.295 120.118 5.177 19860 2088 1 5 . 1 1 58 58 ILE HA H 58 3.783 3.783 3.741 0.042 19860 2089 1 5 . 1 1 58 58 ILE C C 58 176.776 176.776 177.492 -0.716 19860 2090 1 5 . 1 1 58 58 ILE CA C 58 64.583 64.583 64.185 0.398 19860 2091 1 5 . 1 1 58 58 ILE CB C 58 37.959 37.959 37.316 0.643 19860 2092 1 5 . 1 1 58 58 ILE H H 58 8.882 8.882 8.361 0.521 19860 2093 1 5 . 1 1 59 59 GLU N N 59 118.869 118.869 120.194 -1.325 19860 2094 1 5 . 1 1 59 59 GLU HA H 59 4.254 4.254 4.039 0.215 19860 2095 1 5 . 1 1 59 59 GLU C C 59 179.370 179.370 178.594 0.776 19860 2096 1 5 . 1 1 59 59 GLU CA C 59 59.757 59.757 59.220 0.537 19860 2097 1 5 . 1 1 59 59 GLU CB C 59 29.053 29.053 28.684 0.369 19860 2098 1 5 . 1 1 59 59 GLU H H 59 9.348 9.348 8.714 0.633 19860 2099 1 5 . 1 1 60 60 VAL N N 60 118.990 118.990 121.340 -2.350 19860 2100 1 5 . 1 1 60 60 VAL HA H 60 3.772 3.772 3.724 0.048 19860 2101 1 5 . 1 1 60 60 VAL C C 60 177.451 177.451 178.033 -0.582 19860 2102 1 5 . 1 1 60 60 VAL CA C 60 65.331 65.331 66.249 -0.918 19860 2103 1 5 . 1 1 60 60 VAL CB C 60 31.869 31.869 31.763 0.106 19860 2104 1 5 . 1 1 60 60 VAL H H 60 7.290 7.290 7.557 -0.267 19860 2105 1 5 . 1 1 61 61 LYS N N 61 120.824 120.824 120.205 0.619 19860 2106 1 5 . 1 1 61 61 LYS HA H 61 3.782 3.782 3.901 -0.119 19860 2107 1 5 . 1 1 61 61 LYS C C 61 179.444 179.444 178.795 0.649 19860 2108 1 5 . 1 1 61 61 LYS CA C 61 61.060 61.060 60.090 0.970 19860 2109 1 5 . 1 1 61 61 LYS CB C 61 32.196 32.196 31.903 0.293 19860 2110 1 5 . 1 1 61 61 LYS H H 61 8.043 8.043 8.122 -0.079 19860 2111 1 5 . 1 1 62 62 ASP N N 62 119.231 119.231 119.980 -0.749 19860 2112 1 5 . 1 1 62 62 ASP HA H 62 4.427 4.427 4.351 0.076 19860 2113 1 5 . 1 1 62 62 ASP C C 62 178.420 178.420 178.118 0.302 19860 2114 1 5 . 1 1 62 62 ASP CA C 62 57.851 57.851 57.488 0.363 19860 2115 1 5 . 1 1 62 62 ASP CB C 62 40.780 40.780 40.747 0.033 19860 2116 1 5 . 1 1 62 62 ASP H H 62 8.766 8.766 8.364 0.402 19860 2117 1 5 . 1 1 63 63 LYS N N 63 119.623 119.623 119.318 0.305 19860 2118 1 5 . 1 1 63 63 LYS HA H 63 4.025 4.025 4.064 -0.039 19860 2119 1 5 . 1 1 63 63 LYS C C 63 178.866 178.866 179.297 -0.431 19860 2120 1 5 . 1 1 63 63 LYS CA C 63 59.667 59.667 59.202 0.465 19860 2121 1 5 . 1 1 63 63 LYS CB C 63 32.929 32.929 32.568 0.361 19860 2122 1 5 . 1 1 63 63 LYS H H 63 7.391 7.391 7.497 -0.106 19860 2123 1 5 . 1 1 64 64 LEU N N 64 118.806 118.806 120.345 -1.539 19860 2124 1 5 . 1 1 64 64 LEU HA H 64 4.216 4.216 3.776 0.440 19860 2125 1 5 . 1 1 64 64 LEU C C 64 178.793 178.793 178.388 0.405 19860 2126 1 5 . 1 1 64 64 LEU CA C 64 58.011 58.011 58.097 -0.086 19860 2127 1 5 . 1 1 64 64 LEU CB C 64 42.251 42.251 41.388 0.863 19860 2128 1 5 . 1 1 64 64 LEU H H 64 8.357 8.357 8.641 -0.284 19860 2129 1 5 . 1 1 65 65 THR N N 65 115.102 115.102 114.691 0.411 19860 2130 1 5 . 1 1 65 65 THR HA H 65 3.920 3.920 3.737 0.183 19860 2131 1 5 . 1 1 65 65 THR C C 65 176.410 176.410 176.492 -0.082 19860 2132 1 5 . 1 1 65 65 THR CA C 65 66.705 66.705 66.783 -0.078 19860 2133 1 5 . 1 1 65 65 THR CB C 65 68.876 68.876 68.308 0.568 19860 2134 1 5 . 1 1 65 65 THR H H 65 8.343 8.343 8.148 0.195 19860 2135 1 5 . 1 1 66 66 ARG N N 66 119.405 119.405 119.796 -0.391 19860 2136 1 5 . 1 1 66 66 ARG HA H 66 4.067 4.067 4.037 0.030 19860 2137 1 5 . 1 1 66 66 ARG C C 66 177.988 177.988 178.263 -0.275 19860 2138 1 5 . 1 1 66 66 ARG CA C 66 58.961 58.961 59.242 -0.281 19860 2139 1 5 . 1 1 66 66 ARG CB C 66 30.302 30.302 29.895 0.407 19860 2140 1 5 . 1 1 66 66 ARG H H 66 7.832 7.832 7.854 -0.022 19860 2141 1 5 . 1 1 67 67 PHE N N 67 117.304 117.304 120.572 -3.268 19860 2142 1 5 . 1 1 67 67 PHE HA H 67 4.323 4.323 4.319 0.004 19860 2143 1 5 . 1 1 67 67 PHE C C 67 177.141 177.141 175.456 1.685 19860 2144 1 5 . 1 1 67 67 PHE CA C 67 59.989 59.989 61.232 -1.243 19860 2145 1 5 . 1 1 67 67 PHE CB C 67 39.269 39.269 40.400 -1.131 19860 2146 1 5 . 1 1 67 67 PHE H H 67 8.190 8.190 7.649 0.541 19860 2147 1 5 . 1 1 68 68 PHE N N 68 114.297 114.297 110.122 4.175 19860 2148 1 5 . 1 1 68 68 PHE HA H 68 4.696 4.696 4.878 -0.182 19860 2149 1 5 . 1 1 68 68 PHE C C 68 175.969 175.969 176.234 -0.265 19860 2150 1 5 . 1 1 68 68 PHE CA C 68 59.112 59.112 56.469 2.643 19860 2151 1 5 . 1 1 68 68 PHE CB C 68 40.100 40.100 39.430 0.670 19860 2152 1 5 . 1 1 68 68 PHE H H 68 8.087 8.087 7.544 0.543 19860 2153 1 5 . 1 1 69 69 LEU N N 69 119.594 119.594 122.299 -2.705 19860 2154 1 5 . 1 1 69 69 LEU HA H 69 4.476 4.476 4.418 0.058 19860 2155 1 5 . 1 1 69 69 LEU C C 69 177.425 177.425 177.091 0.334 19860 2156 1 5 . 1 1 69 69 LEU CA C 69 55.805 55.805 56.985 -1.180 19860 2157 1 5 . 1 1 69 69 LEU CB C 69 41.399 41.399 42.608 -1.209 19860 2158 1 5 . 1 1 69 69 LEU H H 69 7.823 7.823 7.089 0.734 19860 2159 1 5 . 1 1 70 70 LEU N N 70 119.723 119.723 120.164 -0.441 19860 2160 1 5 . 1 1 70 70 LEU HA H 70 4.341 4.341 4.549 -0.208 19860 2161 1 5 . 1 1 70 70 LEU C C 70 177.443 177.443 174.854 2.589 19860 2162 1 5 . 1 1 70 70 LEU CA C 70 55.288 55.288 54.092 1.196 19860 2163 1 5 . 1 1 70 70 LEU CB C 70 42.205 42.205 39.308 2.897 19860 2164 1 5 . 1 1 70 70 LEU H H 70 7.905 7.905 7.865 0.040 19860 2165 1 5 . 1 1 71 71 GLU N N 71 120.533 120.533 121.390 -0.857 19860 2166 1 5 . 1 1 71 71 GLU HA H 71 4.200 4.200 4.482 -0.282 19860 2167 1 5 . 1 1 71 71 GLU C C 71 176.250 176.250 174.723 1.527 19860 2168 1 5 . 1 1 71 71 GLU CA C 71 56.609 56.609 54.724 1.885 19860 2169 1 5 . 1 1 71 71 GLU CB C 71 30.475 30.475 32.436 -1.961 19860 2170 1 5 . 1 1 71 71 GLU H H 71 8.244 8.244 7.539 0.705 19860 2171 1 5 . 1 1 72 72 HIS N N 72 119.783 119.783 115.928 3.855 19860 2172 1 5 . 1 1 72 72 HIS HA H 72 4.623 4.623 4.223 0.400 19860 2173 1 5 . 1 1 72 72 HIS C C 72 174.645 174.645 172.854 1.791 19860 2174 1 5 . 1 1 72 72 HIS CA C 72 55.737 55.737 56.278 -0.541 19860 2175 1 5 . 1 1 72 72 HIS CB C 72 29.901 29.901 27.286 2.615 19860 2176 1 5 . 1 1 72 72 HIS H H 72 8.403 8.403 8.613 -0.210 19860 2177 1 5 . 1 1 73 73 HIS N N 73 120.199 120.199 120.303 -0.104 19860 2178 1 5 . 1 1 73 73 HIS HA H 73 4.625 4.625 4.829 -0.204 19860 2179 1 5 . 1 1 73 73 HIS C C 73 174.552 174.552 174.203 0.349 19860 2180 1 5 . 1 1 73 73 HIS CA C 73 55.754 55.754 54.890 0.864 19860 2181 1 5 . 1 1 73 73 HIS CB C 73 29.976 29.976 32.095 -2.119 19860 2182 1 5 . 1 1 73 73 HIS H H 73 8.539 8.539 7.814 0.725 19860 2183 1 5 . 1 1 74 74 HIS N N 74 120.457 120.457 119.024 1.433 19860 2184 1 5 . 1 1 74 74 HIS HA H 74 4.655 4.655 4.877 -0.222 19860 2185 1 5 . 1 1 74 74 HIS C C 74 174.638 174.638 174.374 0.264 19860 2186 1 5 . 1 1 74 74 HIS CA C 74 55.771 55.771 55.883 -0.112 19860 2187 1 5 . 1 1 74 74 HIS CB C 74 29.916 29.916 30.598 -0.682 19860 2188 1 5 . 1 1 74 74 HIS H H 74 8.681 8.681 8.815 -0.134 19860 2189 1 5 . 1 1 75 75 HIS N N 75 120.782 120.782 118.687 2.095 19860 2190 1 5 . 1 1 75 75 HIS HA H 75 4.671 4.671 4.441 0.230 19860 2191 1 5 . 1 1 75 75 HIS C C 75 174.525 174.525 174.538 -0.013 19860 2192 1 5 . 1 1 75 75 HIS CA C 75 55.758 55.758 57.541 -1.783 19860 2193 1 5 . 1 1 75 75 HIS CB C 75 29.934 29.934 30.589 -0.655 19860 2194 1 5 . 1 1 75 75 HIS H H 75 8.755 8.755 8.421 0.334 19860 2195 1 5 . 1 1 76 76 HIS N N 76 120.737 120.737 113.994 6.743 19860 2196 1 5 . 1 1 76 76 HIS HA H 76 4.666 4.666 4.478 0.188 19860 2197 1 5 . 1 1 76 76 HIS C C 76 173.873 173.873 173.751 0.122 19860 2198 1 5 . 1 1 76 76 HIS CA C 76 55.921 55.921 56.513 -0.592 19860 2199 1 5 . 1 1 76 76 HIS CB C 76 29.848 29.848 30.009 -0.161 19860 2200 1 5 . 1 1 76 76 HIS H H 76 8.693 8.693 8.525 0.168 19860 2201 1 6 . 1 1 2 2 LEU HA H 2 4.435 4.435 3.968 0.467 19860 2202 1 6 . 1 1 2 2 LEU C C 2 176.773 176.773 175.884 0.889 19860 2203 1 6 . 1 1 2 2 LEU CA C 2 55.299 55.299 56.414 -1.115 19860 2204 1 6 . 1 1 2 2 LEU CB C 2 42.529 42.529 41.697 0.832 19860 2205 1 6 . 1 1 3 3 LYS N N 3 123.220 123.220 118.137 5.083 19860 2206 1 6 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.019 0.306 19860 2207 1 6 . 1 1 3 3 LYS C C 3 176.224 176.224 175.934 0.290 19860 2208 1 6 . 1 1 3 3 LYS CA C 3 56.344 56.344 56.907 -0.563 19860 2209 1 6 . 1 1 3 3 LYS CB C 3 33.335 33.335 30.040 3.295 19860 2210 1 6 . 1 1 3 3 LYS H H 3 8.520 8.520 8.158 0.362 19860 2211 1 6 . 1 1 4 4 HIS N N 4 119.727 119.727 117.936 1.791 19860 2212 1 6 . 1 1 4 4 HIS HA H 4 4.721 4.721 4.505 0.216 19860 2213 1 6 . 1 1 4 4 HIS C C 4 175.318 175.318 174.423 0.895 19860 2214 1 6 . 1 1 4 4 HIS CA C 4 55.941 55.941 57.014 -1.073 19860 2215 1 6 . 1 1 4 4 HIS CB C 4 30.636 30.636 31.000 -0.364 19860 2216 1 6 . 1 1 4 4 HIS H H 4 8.486 8.486 8.343 0.143 19860 2217 1 6 . 1 1 5 5 GLY N N 5 110.318 110.318 105.865 4.453 19860 2218 1 6 . 1 1 5 5 GLY C C 5 172.966 172.966 172.652 0.314 19860 2219 1 6 . 1 1 5 5 GLY CA C 5 45.146 45.146 44.427 0.719 19860 2220 1 6 . 1 1 5 5 GLY H H 5 8.602 8.602 7.657 0.945 19860 2221 1 6 . 1 1 6 6 LYS N N 6 120.808 120.808 124.861 -4.053 19860 2222 1 6 . 1 1 6 6 LYS HA H 6 4.438 4.438 4.782 -0.344 19860 2223 1 6 . 1 1 6 6 LYS C C 6 175.168 175.168 175.053 0.115 19860 2224 1 6 . 1 1 6 6 LYS CA C 6 56.179 56.179 54.324 1.855 19860 2225 1 6 . 1 1 6 6 LYS CB C 6 34.277 34.277 35.486 -1.210 19860 2226 1 6 . 1 1 6 6 LYS H H 6 8.275 8.275 8.364 -0.089 19860 2227 1 6 . 1 1 7 7 TYR N N 7 118.666 118.666 121.341 -2.675 19860 2228 1 6 . 1 1 7 7 TYR HA H 7 5.513 5.513 5.460 0.053 19860 2229 1 6 . 1 1 7 7 TYR C C 7 176.004 176.004 176.228 -0.224 19860 2230 1 6 . 1 1 7 7 TYR CA C 7 56.971 56.971 57.681 -0.710 19860 2231 1 6 . 1 1 7 7 TYR CB C 7 41.032 41.032 39.172 1.860 19860 2232 1 6 . 1 1 7 7 TYR H H 7 8.351 8.351 8.666 -0.315 19860 2233 1 6 . 1 1 8 8 VAL N N 8 115.920 115.920 119.076 -3.156 19860 2234 1 6 . 1 1 8 8 VAL HA H 8 4.860 4.860 4.932 -0.072 19860 2235 1 6 . 1 1 8 8 VAL C C 8 173.220 173.220 173.616 -0.396 19860 2236 1 6 . 1 1 8 8 VAL CA C 8 59.694 59.694 59.202 0.492 19860 2237 1 6 . 1 1 8 8 VAL CB C 8 35.246 35.246 35.020 0.226 19860 2238 1 6 . 1 1 8 8 VAL H H 8 9.057 9.057 8.976 0.081 19860 2239 1 6 . 1 1 9 9 TYR N N 9 118.786 118.786 116.965 1.821 19860 2240 1 6 . 1 1 9 9 TYR HA H 9 5.515 5.515 5.647 -0.132 19860 2241 1 6 . 1 1 9 9 TYR C C 9 175.072 175.072 176.076 -1.004 19860 2242 1 6 . 1 1 9 9 TYR CA C 9 56.576 56.576 55.954 0.622 19860 2243 1 6 . 1 1 9 9 TYR CB C 9 41.532 41.532 42.366 -0.834 19860 2244 1 6 . 1 1 9 9 TYR H H 9 9.117 9.117 8.890 0.227 19860 2245 1 6 . 1 1 10 10 ILE N N 10 121.376 121.376 121.705 -0.329 19860 2246 1 6 . 1 1 10 10 ILE HA H 10 4.887 4.887 4.724 0.163 19860 2247 1 6 . 1 1 10 10 ILE C C 10 176.044 176.044 175.993 0.051 19860 2248 1 6 . 1 1 10 10 ILE CA C 10 58.948 58.948 58.284 0.664 19860 2249 1 6 . 1 1 10 10 ILE CB C 10 38.537 38.537 38.103 0.434 19860 2250 1 6 . 1 1 10 10 ILE H H 10 9.514 9.514 8.862 0.652 19860 2251 1 6 . 1 1 11 11 ASP N N 11 126.501 126.501 128.374 -1.873 19860 2252 1 6 . 1 1 11 11 ASP HA H 11 4.390 4.390 4.542 -0.152 19860 2253 1 6 . 1 1 11 11 ASP C C 11 175.850 175.850 176.261 -0.411 19860 2254 1 6 . 1 1 11 11 ASP CA C 11 53.377 53.377 54.666 -1.290 19860 2255 1 6 . 1 1 11 11 ASP CB C 11 41.808 41.808 40.684 1.123 19860 2256 1 6 . 1 1 11 11 ASP H H 11 8.676 8.676 8.793 -0.117 19860 2257 1 6 . 1 1 12 12 LEU N N 12 127.505 127.505 125.388 2.117 19860 2258 1 6 . 1 1 12 12 LEU HA H 12 4.319 4.319 4.263 0.056 19860 2259 1 6 . 1 1 12 12 LEU C C 12 176.132 176.132 177.321 -1.189 19860 2260 1 6 . 1 1 12 12 LEU CA C 12 55.439 55.439 55.222 0.217 19860 2261 1 6 . 1 1 12 12 LEU CB C 12 40.312 40.312 42.153 -1.841 19860 2262 1 6 . 1 1 12 12 LEU H H 12 7.692 7.692 7.488 0.204 19860 2263 1 6 . 1 1 13 13 ASN N N 13 114.351 114.351 114.009 0.342 19860 2264 1 6 . 1 1 13 13 ASN HA H 13 4.391 4.391 4.284 0.107 19860 2265 1 6 . 1 1 13 13 ASN C C 13 174.440 174.440 174.382 0.058 19860 2266 1 6 . 1 1 13 13 ASN CA C 13 54.482 54.482 54.387 0.095 19860 2267 1 6 . 1 1 13 13 ASN CB C 13 37.861 37.861 37.977 -0.116 19860 2268 1 6 . 1 1 13 13 ASN H H 13 9.187 9.187 7.745 1.442 19860 2269 1 6 . 1 1 14 14 ASN N N 14 115.057 115.057 115.668 -0.611 19860 2270 1 6 . 1 1 14 14 ASN HA H 14 4.779 4.779 4.777 0.002 19860 2271 1 6 . 1 1 14 14 ASN C C 14 176.213 176.213 175.400 0.813 19860 2272 1 6 . 1 1 14 14 ASN CA C 14 52.149 52.149 52.747 -0.598 19860 2273 1 6 . 1 1 14 14 ASN CB C 14 38.727 38.727 38.514 0.214 19860 2274 1 6 . 1 1 14 14 ASN H H 14 7.737 7.737 7.812 -0.075 19860 2275 1 6 . 1 1 15 15 GLY N N 15 110.453 110.453 106.262 4.191 19860 2276 1 6 . 1 1 15 15 GLY C C 15 172.968 172.968 172.990 -0.022 19860 2277 1 6 . 1 1 15 15 GLY CA C 15 45.136 45.136 45.013 0.123 19860 2278 1 6 . 1 1 15 15 GLY H H 15 8.744 8.744 8.177 0.567 19860 2279 1 6 . 1 1 16 16 LYS N N 16 116.557 116.557 118.429 -1.872 19860 2280 1 6 . 1 1 16 16 LYS HA H 16 4.992 4.992 4.955 0.037 19860 2281 1 6 . 1 1 16 16 LYS C C 16 175.214 175.214 174.122 1.092 19860 2282 1 6 . 1 1 16 16 LYS CA C 16 54.653 54.653 54.971 -0.318 19860 2283 1 6 . 1 1 16 16 LYS CB C 16 35.359 35.359 35.492 -0.133 19860 2284 1 6 . 1 1 16 16 LYS H H 16 7.559 7.559 7.344 0.215 19860 2285 1 6 . 1 1 17 17 TYR N N 17 117.020 117.020 118.324 -1.304 19860 2286 1 6 . 1 1 17 17 TYR HA H 17 5.551 5.551 4.822 0.729 19860 2287 1 6 . 1 1 17 17 TYR C C 17 175.491 175.491 174.136 1.355 19860 2288 1 6 . 1 1 17 17 TYR CA C 17 56.255 56.255 57.420 -1.165 19860 2289 1 6 . 1 1 17 17 TYR CB C 17 42.270 42.270 42.952 -0.682 19860 2290 1 6 . 1 1 17 17 TYR H H 17 8.577 8.577 9.179 -0.602 19860 2291 1 6 . 1 1 18 18 VAL N N 18 121.032 121.032 121.334 -0.302 19860 2292 1 6 . 1 1 18 18 VAL HA H 18 5.027 5.027 4.510 0.517 19860 2293 1 6 . 1 1 18 18 VAL C C 18 174.046 174.046 174.255 -0.209 19860 2294 1 6 . 1 1 18 18 VAL CA C 18 59.711 59.711 60.253 -0.542 19860 2295 1 6 . 1 1 18 18 VAL CB C 18 35.076 35.076 34.526 0.549 19860 2296 1 6 . 1 1 18 18 VAL H H 18 8.829 8.829 8.419 0.410 19860 2297 1 6 . 1 1 19 19 LYS N N 19 130.251 130.251 129.820 0.431 19860 2298 1 6 . 1 1 19 19 LYS HA H 19 4.055 4.055 4.520 -0.465 19860 2299 1 6 . 1 1 19 19 LYS C C 19 175.628 175.628 175.309 0.319 19860 2300 1 6 . 1 1 19 19 LYS CA C 19 56.975 56.975 55.236 1.739 19860 2301 1 6 . 1 1 19 19 LYS CB C 19 33.380 33.380 33.132 0.248 19860 2302 1 6 . 1 1 19 19 LYS H H 19 8.388 8.388 8.496 -0.108 19860 2303 1 6 . 1 1 20 20 VAL N N 20 127.530 127.530 125.247 2.283 19860 2304 1 6 . 1 1 20 20 VAL HA H 20 4.946 4.946 4.426 0.520 19860 2305 1 6 . 1 1 20 20 VAL C C 20 173.581 173.581 173.932 -0.351 19860 2306 1 6 . 1 1 20 20 VAL CA C 20 60.483 60.483 59.336 1.147 19860 2307 1 6 . 1 1 20 20 VAL CB C 20 35.665 35.665 35.448 0.217 19860 2308 1 6 . 1 1 20 20 VAL H H 20 9.428 9.428 9.068 0.360 19860 2309 1 6 . 1 1 21 21 ARG N N 21 125.804 125.804 128.440 -2.636 19860 2310 1 6 . 1 1 21 21 ARG HA H 21 4.716 4.716 4.495 0.221 19860 2311 1 6 . 1 1 21 21 ARG C C 21 174.905 174.905 175.314 -0.409 19860 2312 1 6 . 1 1 21 21 ARG CA C 21 54.864 54.864 54.929 -0.065 19860 2313 1 6 . 1 1 21 21 ARG CB C 21 32.881 32.881 30.390 2.491 19860 2314 1 6 . 1 1 21 21 ARG H H 21 9.084 9.084 8.619 0.465 19860 2315 1 6 . 1 1 22 22 ILE N N 22 124.167 124.167 127.052 -2.885 19860 2316 1 6 . 1 1 22 22 ILE HA H 22 4.624 4.624 4.263 0.361 19860 2317 1 6 . 1 1 22 22 ILE C C 22 175.887 175.887 174.796 1.091 19860 2318 1 6 . 1 1 22 22 ILE CA C 22 59.717 59.717 58.989 0.728 19860 2319 1 6 . 1 1 22 22 ILE CB C 22 38.699 38.699 36.797 1.902 19860 2320 1 6 . 1 1 22 22 ILE H H 22 8.554 8.554 8.935 -0.381 19860 2321 1 6 . 1 1 23 23 LEU N N 23 128.981 128.981 129.820 -0.839 19860 2322 1 6 . 1 1 23 23 LEU HA H 23 4.663 4.663 4.666 -0.003 19860 2323 1 6 . 1 1 23 23 LEU C C 23 176.174 176.174 175.734 0.440 19860 2324 1 6 . 1 1 23 23 LEU CA C 23 53.897 53.897 53.373 0.524 19860 2325 1 6 . 1 1 23 23 LEU CB C 23 43.556 43.556 41.503 2.053 19860 2326 1 6 . 1 1 23 23 LEU H H 23 8.835 8.835 9.012 -0.177 19860 2327 1 6 . 1 1 24 24 LYS N N 24 122.797 122.797 126.734 -3.937 19860 2328 1 6 . 1 1 24 24 LYS HA H 24 4.568 4.568 4.326 0.242 19860 2329 1 6 . 1 1 24 24 LYS C C 24 176.407 176.407 175.598 0.809 19860 2330 1 6 . 1 1 24 24 LYS CA C 24 55.808 55.808 55.533 0.274 19860 2331 1 6 . 1 1 24 24 LYS CB C 24 34.082 34.082 33.147 0.935 19860 2332 1 6 . 1 1 24 24 LYS H H 24 8.566 8.566 8.314 0.252 19860 2333 1 6 . 1 1 25 25 SER N N 25 118.453 118.453 123.894 -5.441 19860 2334 1 6 . 1 1 25 25 SER HA H 25 4.477 4.477 4.980 -0.503 19860 2335 1 6 . 1 1 25 25 SER C C 25 175.038 175.038 173.849 1.189 19860 2336 1 6 . 1 1 25 25 SER CA C 25 58.146 58.146 57.812 0.334 19860 2337 1 6 . 1 1 25 25 SER CB C 25 63.977 63.977 63.801 0.176 19860 2338 1 6 . 1 1 25 25 SER H H 25 8.668 8.668 8.986 -0.318 19860 2339 1 6 . 1 1 26 26 ARG N N 26 123.008 123.008 127.430 -4.422 19860 2340 1 6 . 1 1 26 26 ARG HA H 26 4.284 4.284 4.302 -0.018 19860 2341 1 6 . 1 1 26 26 ARG C C 26 176.640 176.640 176.749 -0.109 19860 2342 1 6 . 1 1 26 26 ARG CA C 26 57.171 57.171 57.885 -0.714 19860 2343 1 6 . 1 1 26 26 ARG CB C 26 30.748 30.748 30.428 0.320 19860 2344 1 6 . 1 1 26 26 ARG H H 26 8.667 8.667 8.363 0.304 19860 2345 1 6 . 1 1 27 27 ASP N N 27 118.281 118.281 117.892 0.389 19860 2346 1 6 . 1 1 27 27 ASP HA H 27 4.598 4.598 4.402 0.196 19860 2347 1 6 . 1 1 27 27 ASP C C 27 176.028 176.028 177.635 -1.607 19860 2348 1 6 . 1 1 27 27 ASP CA C 27 54.657 54.657 56.568 -1.911 19860 2349 1 6 . 1 1 27 27 ASP CB C 27 41.416 41.416 40.417 0.999 19860 2350 1 6 . 1 1 27 27 ASP H H 27 8.246 8.246 8.425 -0.179 19860 2351 1 6 . 1 1 28 28 ASP N N 28 118.646 118.646 118.607 0.039 19860 2352 1 6 . 1 1 28 28 ASP HA H 28 4.563 4.563 4.453 0.110 19860 2353 1 6 . 1 1 28 28 ASP C C 28 176.165 176.165 176.218 -0.053 19860 2354 1 6 . 1 1 28 28 ASP CA C 28 54.822 54.822 56.361 -1.539 19860 2355 1 6 . 1 1 28 28 ASP CB C 28 41.150 41.150 41.232 -0.082 19860 2356 1 6 . 1 1 28 28 ASP H H 28 8.034 8.034 8.364 -0.330 19860 2357 1 6 . 1 1 29 29 ASN N N 29 117.519 117.519 114.539 2.980 19860 2358 1 6 . 1 1 29 29 ASN HA H 29 4.734 4.734 4.667 0.067 19860 2359 1 6 . 1 1 29 29 ASN C C 29 175.116 175.116 173.919 1.197 19860 2360 1 6 . 1 1 29 29 ASN CA C 29 53.951 53.951 54.063 -0.112 19860 2361 1 6 . 1 1 29 29 ASN CB C 29 38.779 38.779 39.855 -1.075 19860 2362 1 6 . 1 1 29 29 ASN H H 29 8.473 8.473 7.777 0.696 19860 2363 1 6 . 1 1 30 30 SER N N 30 114.910 114.910 113.458 1.452 19860 2364 1 6 . 1 1 30 30 SER HA H 30 4.493 4.493 4.555 -0.062 19860 2365 1 6 . 1 1 30 30 SER C C 30 174.235 174.235 172.694 1.541 19860 2366 1 6 . 1 1 30 30 SER CA C 30 58.669 58.669 58.325 0.344 19860 2367 1 6 . 1 1 30 30 SER CB C 30 64.403 64.403 63.000 1.403 19860 2368 1 6 . 1 1 30 30 SER H H 30 8.206 8.206 8.175 0.031 19860 2369 1 6 . 1 1 31 31 VAL N N 31 121.640 121.640 124.120 -2.480 19860 2370 1 6 . 1 1 31 31 VAL HA H 31 4.090 4.090 4.008 0.082 19860 2371 1 6 . 1 1 31 31 VAL C C 31 175.873 175.873 175.037 0.836 19860 2372 1 6 . 1 1 31 31 VAL CA C 31 62.939 62.939 62.497 0.442 19860 2373 1 6 . 1 1 31 31 VAL CB C 31 32.878 32.878 32.475 0.403 19860 2374 1 6 . 1 1 31 31 VAL H H 31 8.242 8.242 8.210 0.032 19860 2375 1 6 . 1 1 32 32 GLU N N 32 125.144 125.144 129.035 -3.891 19860 2376 1 6 . 1 1 32 32 GLU HA H 32 4.417 4.417 4.715 -0.298 19860 2377 1 6 . 1 1 32 32 GLU C C 32 175.532 175.532 175.136 0.396 19860 2378 1 6 . 1 1 32 32 GLU CA C 32 56.886 56.886 55.362 1.524 19860 2379 1 6 . 1 1 32 32 GLU CB C 32 31.059 31.059 29.453 1.606 19860 2380 1 6 . 1 1 32 32 GLU H H 32 8.679 8.679 8.692 -0.013 19860 2381 1 6 . 1 1 33 33 LYS N N 33 120.222 120.222 124.992 -4.770 19860 2382 1 6 . 1 1 33 33 LYS HA H 33 4.574 4.574 4.295 0.279 19860 2383 1 6 . 1 1 33 33 LYS C C 33 174.194 174.194 174.954 -0.760 19860 2384 1 6 . 1 1 33 33 LYS CA C 33 55.324 55.324 55.335 -0.011 19860 2385 1 6 . 1 1 33 33 LYS CB C 33 35.258 35.258 33.884 1.374 19860 2386 1 6 . 1 1 33 33 LYS H H 33 8.229 8.229 8.655 -0.426 19860 2387 1 6 . 1 1 34 34 TYR N N 34 121.014 121.014 119.636 1.378 19860 2388 1 6 . 1 1 34 34 TYR HA H 34 4.910 4.910 5.052 -0.142 19860 2389 1 6 . 1 1 34 34 TYR C C 34 175.667 175.667 176.823 -1.156 19860 2390 1 6 . 1 1 34 34 TYR CA C 34 56.984 56.984 56.980 0.004 19860 2391 1 6 . 1 1 34 34 TYR CB C 34 40.036 40.036 40.197 -0.161 19860 2392 1 6 . 1 1 34 34 TYR H H 34 8.552 8.552 8.171 0.381 19860 2393 1 6 . 1 1 35 35 VAL N N 35 124.624 124.624 121.493 3.131 19860 2394 1 6 . 1 1 35 35 VAL HA H 35 4.301 4.301 3.928 0.373 19860 2395 1 6 . 1 1 35 35 VAL C C 35 175.490 175.490 175.492 -0.002 19860 2396 1 6 . 1 1 35 35 VAL CA C 35 61.869 61.869 62.402 -0.533 19860 2397 1 6 . 1 1 35 35 VAL CB C 35 33.510 33.510 32.858 0.652 19860 2398 1 6 . 1 1 35 35 VAL H H 35 9.337 9.337 8.381 0.956 19860 2399 1 6 . 1 1 36 36 LEU N N 36 127.814 127.814 125.297 2.517 19860 2400 1 6 . 1 1 36 36 LEU HA H 36 4.326 4.326 4.514 -0.188 19860 2401 1 6 . 1 1 36 36 LEU C C 36 177.355 177.355 176.164 1.191 19860 2402 1 6 . 1 1 36 36 LEU CA C 36 56.612 56.612 55.562 1.050 19860 2403 1 6 . 1 1 36 36 LEU CB C 36 41.899 41.899 42.077 -0.178 19860 2404 1 6 . 1 1 36 36 LEU H H 36 8.845 8.845 8.356 0.489 19860 2405 1 6 . 1 1 37 37 THR N N 37 112.016 112.016 113.549 -1.533 19860 2406 1 6 . 1 1 37 37 THR HA H 37 4.904 4.904 4.134 0.770 19860 2407 1 6 . 1 1 37 37 THR C C 37 173.228 173.228 173.933 -0.705 19860 2408 1 6 . 1 1 37 37 THR CA C 37 61.023 61.023 60.877 0.146 19860 2409 1 6 . 1 1 37 37 THR CB C 37 70.829 70.829 69.075 1.754 19860 2410 1 6 . 1 1 37 37 THR H H 37 7.374 7.374 7.425 -0.051 19860 2411 1 6 . 1 1 38 38 SER N N 38 111.049 111.049 118.517 -7.468 19860 2412 1 6 . 1 1 38 38 SER HA H 38 4.635 4.635 4.750 -0.115 19860 2413 1 6 . 1 1 38 38 SER C C 38 174.606 174.606 173.871 0.735 19860 2414 1 6 . 1 1 38 38 SER CA C 38 57.957 57.957 56.981 0.976 19860 2415 1 6 . 1 1 38 38 SER CB C 38 63.849 63.849 63.289 0.559 19860 2416 1 6 . 1 1 38 38 SER H H 38 8.387 8.387 8.050 0.337 19860 2417 1 6 . 1 1 39 39 HIS N N 39 122.230 122.230 122.161 0.069 19860 2418 1 6 . 1 1 39 39 HIS HA H 39 4.768 4.768 4.442 0.326 19860 2419 1 6 . 1 1 39 39 HIS C C 39 173.143 173.143 174.797 -1.654 19860 2420 1 6 . 1 1 39 39 HIS CA C 39 56.328 56.328 56.580 -0.252 19860 2421 1 6 . 1 1 39 39 HIS CB C 39 29.938 29.938 30.067 -0.129 19860 2422 1 6 . 1 1 39 39 HIS H H 39 8.424 8.424 7.359 1.065 19860 2423 1 6 . 1 1 40 40 VAL N N 40 126.582 126.582 121.673 4.909 19860 2424 1 6 . 1 1 40 40 VAL HA H 40 4.915 4.915 4.735 0.180 19860 2425 1 6 . 1 1 40 40 VAL C C 40 175.763 175.763 175.414 0.349 19860 2426 1 6 . 1 1 40 40 VAL CA C 40 60.612 60.612 60.618 -0.006 19860 2427 1 6 . 1 1 40 40 VAL CB C 40 34.085 34.085 33.546 0.539 19860 2428 1 6 . 1 1 40 40 VAL H H 40 8.364 8.364 8.438 -0.074 19860 2429 1 6 . 1 1 41 41 SER N N 41 121.067 121.067 120.846 0.221 19860 2430 1 6 . 1 1 41 41 SER HA H 41 4.947 4.947 4.976 -0.029 19860 2431 1 6 . 1 1 41 41 SER C C 41 174.505 174.505 174.116 0.389 19860 2432 1 6 . 1 1 41 41 SER CA C 41 57.001 57.001 57.343 -0.342 19860 2433 1 6 . 1 1 41 41 SER CB C 41 65.504 65.504 65.972 -0.468 19860 2434 1 6 . 1 1 41 41 SER H H 41 9.297 9.297 9.156 0.141 19860 2435 1 6 . 1 1 42 42 LYS N N 42 123.812 123.812 121.450 2.362 19860 2436 1 6 . 1 1 42 42 LYS HA H 42 4.905 4.905 4.316 0.589 19860 2437 1 6 . 1 1 42 42 LYS C C 42 175.037 175.037 175.980 -0.943 19860 2438 1 6 . 1 1 42 42 LYS CA C 42 56.600 56.600 56.545 0.055 19860 2439 1 6 . 1 1 42 42 LYS CB C 42 32.827 32.827 33.001 -0.174 19860 2440 1 6 . 1 1 42 42 LYS H H 42 8.962 8.962 8.600 0.362 19860 2441 1 6 . 1 1 43 43 ASN N N 43 115.779 115.779 118.562 -2.783 19860 2442 1 6 . 1 1 43 43 ASN HA H 43 4.906 4.906 4.559 0.347 19860 2443 1 6 . 1 1 43 43 ASN C C 43 173.479 173.479 174.528 -1.049 19860 2444 1 6 . 1 1 43 43 ASN CA C 43 51.840 51.840 53.123 -1.283 19860 2445 1 6 . 1 1 43 43 ASN CB C 43 40.763 40.763 38.914 1.849 19860 2446 1 6 . 1 1 43 43 ASN H H 43 8.053 8.053 8.054 -0.001 19860 2447 1 6 . 1 1 44 44 ARG N N 44 124.471 124.471 123.034 1.437 19860 2448 1 6 . 1 1 44 44 ARG HA H 44 3.217 3.217 3.940 -0.723 19860 2449 1 6 . 1 1 44 44 ARG C C 44 173.869 173.869 174.137 -0.268 19860 2450 1 6 . 1 1 44 44 ARG CA C 44 54.034 54.034 53.981 0.053 19860 2451 1 6 . 1 1 44 44 ARG CB C 44 29.917 29.917 29.690 0.227 19860 2452 1 6 . 1 1 44 44 ARG H H 44 8.565 8.565 8.306 0.259 19860 2453 1 6 . 1 1 45 45 PRO HA H 45 4.123 4.123 4.184 -0.061 19860 2454 1 6 . 1 1 45 45 PRO C C 45 176.434 176.434 176.276 0.158 19860 2455 1 6 . 1 1 45 45 PRO CA C 45 62.292 62.292 62.458 -0.166 19860 2456 1 6 . 1 1 45 45 PRO CB C 45 32.110 32.110 32.460 -0.350 19860 2457 1 6 . 1 1 46 46 LYS N N 46 122.529 122.529 122.569 -0.040 19860 2458 1 6 . 1 1 46 46 LYS HA H 46 4.110 4.110 4.181 -0.071 19860 2459 1 6 . 1 1 46 46 LYS C C 46 176.931 176.931 177.083 -0.152 19860 2460 1 6 . 1 1 46 46 LYS CA C 46 57.000 57.000 57.185 -0.185 19860 2461 1 6 . 1 1 46 46 LYS CB C 46 33.095 33.095 32.784 0.311 19860 2462 1 6 . 1 1 46 46 LYS H H 46 8.470 8.470 8.362 0.108 19860 2463 1 6 . 1 1 47 47 ASN N N 47 117.122 117.122 117.656 -0.534 19860 2464 1 6 . 1 1 47 47 ASN HA H 47 4.589 4.589 4.737 -0.148 19860 2465 1 6 . 1 1 47 47 ASN C C 47 174.011 174.011 174.394 -0.383 19860 2466 1 6 . 1 1 47 47 ASN CA C 47 53.493 53.493 52.845 0.648 19860 2467 1 6 . 1 1 47 47 ASN CB C 47 37.868 37.868 39.307 -1.439 19860 2468 1 6 . 1 1 47 47 ASN H H 47 8.745 8.745 8.165 0.580 19860 2469 1 6 . 1 1 48 48 ALA N N 48 119.908 119.908 123.328 -3.420 19860 2470 1 6 . 1 1 48 48 ALA HA H 48 4.609 4.609 4.551 0.058 19860 2471 1 6 . 1 1 48 48 ALA C C 48 176.506 176.506 176.907 -0.401 19860 2472 1 6 . 1 1 48 48 ALA CA C 48 51.136 51.136 51.189 -0.053 19860 2473 1 6 . 1 1 48 48 ALA CB C 48 22.389 22.389 21.039 1.350 19860 2474 1 6 . 1 1 48 48 ALA H H 48 7.394 7.394 7.470 -0.076 19860 2475 1 6 . 1 1 49 49 ILE N N 49 123.192 123.192 121.293 1.899 19860 2476 1 6 . 1 1 49 49 ILE HA H 49 4.140 4.140 4.349 -0.209 19860 2477 1 6 . 1 1 49 49 ILE C C 49 174.731 174.731 175.253 -0.522 19860 2478 1 6 . 1 1 49 49 ILE CA C 49 61.597 61.597 60.217 1.380 19860 2479 1 6 . 1 1 49 49 ILE CB C 49 38.166 38.166 38.260 -0.094 19860 2480 1 6 . 1 1 49 49 ILE H H 49 8.878 8.878 8.454 0.424 19860 2481 1 6 . 1 1 50 50 VAL N N 50 127.552 127.552 123.090 4.462 19860 2482 1 6 . 1 1 50 50 VAL HA H 50 5.289 5.289 5.621 -0.332 19860 2483 1 6 . 1 1 50 50 VAL C C 50 176.411 176.411 175.263 1.148 19860 2484 1 6 . 1 1 50 50 VAL CA C 50 60.499 60.499 59.494 1.005 19860 2485 1 6 . 1 1 50 50 VAL CB C 50 33.890 33.890 33.408 0.482 19860 2486 1 6 . 1 1 50 50 VAL H H 50 8.371 8.371 8.277 0.094 19860 2487 1 6 . 1 1 51 51 ILE N N 51 126.906 126.906 127.568 -0.662 19860 2488 1 6 . 1 1 51 51 ILE HA H 51 4.691 4.691 4.432 0.259 19860 2489 1 6 . 1 1 51 51 ILE C C 51 175.322 175.322 175.193 0.129 19860 2490 1 6 . 1 1 51 51 ILE CA C 51 59.439 59.439 60.246 -0.807 19860 2491 1 6 . 1 1 51 51 ILE CB C 51 41.189 41.189 40.491 0.698 19860 2492 1 6 . 1 1 51 51 ILE H H 51 9.314 9.314 8.924 0.390 19860 2493 1 6 . 1 1 52 52 LYS N N 52 123.523 123.523 127.129 -3.606 19860 2494 1 6 . 1 1 52 52 LYS HA H 52 4.686 4.686 4.567 0.119 19860 2495 1 6 . 1 1 52 52 LYS C C 52 178.237 178.237 178.084 0.153 19860 2496 1 6 . 1 1 52 52 LYS CA C 52 56.120 56.120 56.196 -0.076 19860 2497 1 6 . 1 1 52 52 LYS CB C 52 33.392 33.392 33.667 -0.275 19860 2498 1 6 . 1 1 52 52 LYS H H 52 8.737 8.737 8.770 -0.033 19860 2499 1 6 . 1 1 53 53 MET N N 53 119.701 119.701 122.648 -2.947 19860 2500 1 6 . 1 1 53 53 MET HA H 53 3.908 3.908 4.045 -0.137 19860 2501 1 6 . 1 1 53 53 MET C C 53 177.401 177.401 178.175 -0.774 19860 2502 1 6 . 1 1 53 53 MET CA C 53 58.725 58.725 60.179 -1.454 19860 2503 1 6 . 1 1 53 53 MET CB C 53 33.383 33.383 32.314 1.069 19860 2504 1 6 . 1 1 53 53 MET H H 53 8.799 8.799 8.409 0.390 19860 2505 1 6 . 1 1 54 54 ASP N N 54 113.357 113.357 118.233 -4.876 19860 2506 1 6 . 1 1 54 54 ASP HA H 54 4.288 4.288 4.351 -0.063 19860 2507 1 6 . 1 1 54 54 ASP C C 54 176.649 176.649 177.580 -0.931 19860 2508 1 6 . 1 1 54 54 ASP CA C 54 56.682 56.682 56.520 0.162 19860 2509 1 6 . 1 1 54 54 ASP CB C 54 40.670 40.670 40.633 0.037 19860 2510 1 6 . 1 1 54 54 ASP H H 54 8.262 8.262 8.554 -0.292 19860 2511 1 6 . 1 1 55 55 ASN N N 55 114.935 114.935 116.862 -1.927 19860 2512 1 6 . 1 1 55 55 ASN HA H 55 5.001 5.001 4.696 0.305 19860 2513 1 6 . 1 1 55 55 ASN C C 55 175.032 175.032 175.414 -0.382 19860 2514 1 6 . 1 1 55 55 ASN CA C 55 52.897 52.897 53.577 -0.680 19860 2515 1 6 . 1 1 55 55 ASN CB C 55 39.184 39.184 39.279 -0.095 19860 2516 1 6 . 1 1 55 55 ASN H H 55 7.971 7.971 7.731 0.240 19860 2517 1 6 . 1 1 56 56 LEU N N 56 120.385 120.385 122.548 -2.163 19860 2518 1 6 . 1 1 56 56 LEU HA H 56 4.488 4.488 4.514 -0.026 19860 2519 1 6 . 1 1 56 56 LEU C C 56 174.131 174.131 174.725 -0.594 19860 2520 1 6 . 1 1 56 56 LEU CA C 56 52.912 52.912 51.865 1.047 19860 2521 1 6 . 1 1 56 56 LEU CB C 56 41.958 41.958 41.145 0.813 19860 2522 1 6 . 1 1 56 56 LEU H H 56 7.331 7.331 7.486 -0.155 19860 2523 1 6 . 1 1 57 57 PRO HA H 57 4.617 4.617 4.513 0.104 19860 2524 1 6 . 1 1 57 57 PRO C C 57 178.627 178.627 177.761 0.866 19860 2525 1 6 . 1 1 57 57 PRO CA C 57 62.751 62.751 62.699 0.052 19860 2526 1 6 . 1 1 57 57 PRO CB C 57 32.718 32.718 32.387 0.331 19860 2527 1 6 . 1 1 58 58 ILE N N 58 125.295 125.295 119.757 5.538 19860 2528 1 6 . 1 1 58 58 ILE HA H 58 3.783 3.783 3.773 0.010 19860 2529 1 6 . 1 1 58 58 ILE C C 58 176.776 176.776 177.660 -0.884 19860 2530 1 6 . 1 1 58 58 ILE CA C 58 64.583 64.583 64.155 0.428 19860 2531 1 6 . 1 1 58 58 ILE CB C 58 37.959 37.959 37.506 0.453 19860 2532 1 6 . 1 1 58 58 ILE H H 58 8.882 8.882 8.402 0.480 19860 2533 1 6 . 1 1 59 59 GLU N N 59 118.869 118.869 119.694 -0.825 19860 2534 1 6 . 1 1 59 59 GLU HA H 59 4.254 4.254 4.095 0.159 19860 2535 1 6 . 1 1 59 59 GLU C C 59 179.370 179.370 179.020 0.350 19860 2536 1 6 . 1 1 59 59 GLU CA C 59 59.757 59.757 59.381 0.376 19860 2537 1 6 . 1 1 59 59 GLU CB C 59 29.053 29.053 29.106 -0.053 19860 2538 1 6 . 1 1 59 59 GLU H H 59 9.348 9.348 8.739 0.609 19860 2539 1 6 . 1 1 60 60 VAL N N 60 118.990 118.990 120.761 -1.771 19860 2540 1 6 . 1 1 60 60 VAL HA H 60 3.772 3.772 3.555 0.217 19860 2541 1 6 . 1 1 60 60 VAL C C 60 177.451 177.451 177.591 -0.140 19860 2542 1 6 . 1 1 60 60 VAL CA C 60 65.331 65.331 66.489 -1.158 19860 2543 1 6 . 1 1 60 60 VAL CB C 60 31.869 31.869 31.553 0.316 19860 2544 1 6 . 1 1 60 60 VAL H H 60 7.290 7.290 7.543 -0.253 19860 2545 1 6 . 1 1 61 61 LYS N N 61 120.824 120.824 119.175 1.649 19860 2546 1 6 . 1 1 61 61 LYS HA H 61 3.782 3.782 3.863 -0.081 19860 2547 1 6 . 1 1 61 61 LYS C C 61 179.444 179.444 178.660 0.784 19860 2548 1 6 . 1 1 61 61 LYS CA C 61 61.060 61.060 59.848 1.212 19860 2549 1 6 . 1 1 61 61 LYS CB C 61 32.196 32.196 31.794 0.402 19860 2550 1 6 . 1 1 61 61 LYS H H 61 8.043 8.043 8.102 -0.059 19860 2551 1 6 . 1 1 62 62 ASP N N 62 119.231 119.231 120.156 -0.925 19860 2552 1 6 . 1 1 62 62 ASP HA H 62 4.427 4.427 4.275 0.152 19860 2553 1 6 . 1 1 62 62 ASP C C 62 178.420 178.420 178.047 0.373 19860 2554 1 6 . 1 1 62 62 ASP CA C 62 57.851 57.851 57.625 0.226 19860 2555 1 6 . 1 1 62 62 ASP CB C 62 40.780 40.780 40.810 -0.030 19860 2556 1 6 . 1 1 62 62 ASP H H 62 8.766 8.766 8.098 0.668 19860 2557 1 6 . 1 1 63 63 LYS N N 63 119.623 119.623 119.294 0.329 19860 2558 1 6 . 1 1 63 63 LYS HA H 63 4.025 4.025 4.056 -0.031 19860 2559 1 6 . 1 1 63 63 LYS C C 63 178.866 178.866 179.220 -0.354 19860 2560 1 6 . 1 1 63 63 LYS CA C 63 59.667 59.667 58.489 1.178 19860 2561 1 6 . 1 1 63 63 LYS CB C 63 32.929 32.929 32.112 0.817 19860 2562 1 6 . 1 1 63 63 LYS H H 63 7.391 7.391 7.474 -0.083 19860 2563 1 6 . 1 1 64 64 LEU N N 64 118.806 118.806 119.413 -0.607 19860 2564 1 6 . 1 1 64 64 LEU HA H 64 4.216 4.216 3.523 0.693 19860 2565 1 6 . 1 1 64 64 LEU C C 64 178.793 178.793 178.575 0.218 19860 2566 1 6 . 1 1 64 64 LEU CA C 64 58.011 58.011 57.733 0.278 19860 2567 1 6 . 1 1 64 64 LEU CB C 64 42.251 42.251 41.175 1.076 19860 2568 1 6 . 1 1 64 64 LEU H H 64 8.357 8.357 8.393 -0.036 19860 2569 1 6 . 1 1 65 65 THR N N 65 115.102 115.102 114.644 0.458 19860 2570 1 6 . 1 1 65 65 THR HA H 65 3.920 3.920 3.789 0.131 19860 2571 1 6 . 1 1 65 65 THR C C 65 176.410 176.410 176.319 0.091 19860 2572 1 6 . 1 1 65 65 THR CA C 65 66.705 66.705 67.494 -0.789 19860 2573 1 6 . 1 1 65 65 THR CB C 65 68.876 68.876 68.371 0.505 19860 2574 1 6 . 1 1 65 65 THR H H 65 8.343 8.343 8.280 0.063 19860 2575 1 6 . 1 1 66 66 ARG N N 66 119.405 119.405 120.386 -0.981 19860 2576 1 6 . 1 1 66 66 ARG HA H 66 4.067 4.067 4.118 -0.051 19860 2577 1 6 . 1 1 66 66 ARG C C 66 177.988 177.988 178.684 -0.696 19860 2578 1 6 . 1 1 66 66 ARG CA C 66 58.961 58.961 58.802 0.159 19860 2579 1 6 . 1 1 66 66 ARG CB C 66 30.302 30.302 30.121 0.181 19860 2580 1 6 . 1 1 66 66 ARG H H 66 7.832 7.832 7.404 0.428 19860 2581 1 6 . 1 1 67 67 PHE N N 67 117.304 117.304 121.229 -3.925 19860 2582 1 6 . 1 1 67 67 PHE HA H 67 4.323 4.323 3.988 0.335 19860 2583 1 6 . 1 1 67 67 PHE C C 67 177.141 177.141 176.587 0.554 19860 2584 1 6 . 1 1 67 67 PHE CA C 67 59.989 59.989 61.505 -1.516 19860 2585 1 6 . 1 1 67 67 PHE CB C 67 39.269 39.269 40.328 -1.059 19860 2586 1 6 . 1 1 67 67 PHE H H 67 8.190 8.190 8.013 0.177 19860 2587 1 6 . 1 1 68 68 PHE N N 68 114.297 114.297 113.154 1.143 19860 2588 1 6 . 1 1 68 68 PHE HA H 68 4.696 4.696 4.902 -0.206 19860 2589 1 6 . 1 1 68 68 PHE C C 68 175.969 175.969 175.669 0.300 19860 2590 1 6 . 1 1 68 68 PHE CA C 68 59.112 59.112 57.337 1.775 19860 2591 1 6 . 1 1 68 68 PHE CB C 68 40.100 40.100 39.668 0.432 19860 2592 1 6 . 1 1 68 68 PHE H H 68 8.087 8.087 8.049 0.038 19860 2593 1 6 . 1 1 69 69 LEU N N 69 119.594 119.594 121.992 -2.398 19860 2594 1 6 . 1 1 69 69 LEU HA H 69 4.476 4.476 4.340 0.136 19860 2595 1 6 . 1 1 69 69 LEU C C 69 177.425 177.425 178.260 -0.835 19860 2596 1 6 . 1 1 69 69 LEU CA C 69 55.805 55.805 57.181 -1.376 19860 2597 1 6 . 1 1 69 69 LEU CB C 69 41.399 41.399 41.176 0.223 19860 2598 1 6 . 1 1 69 69 LEU H H 69 7.823 7.823 7.372 0.451 19860 2599 1 6 . 1 1 70 70 LEU N N 70 119.723 119.723 117.451 2.272 19860 2600 1 6 . 1 1 70 70 LEU HA H 70 4.341 4.341 4.306 0.035 19860 2601 1 6 . 1 1 70 70 LEU C C 70 177.443 177.443 178.436 -0.993 19860 2602 1 6 . 1 1 70 70 LEU CA C 70 55.288 55.288 57.160 -1.872 19860 2603 1 6 . 1 1 70 70 LEU CB C 70 42.205 42.205 42.727 -0.522 19860 2604 1 6 . 1 1 70 70 LEU H H 70 7.905 7.905 8.192 -0.287 19860 2605 1 6 . 1 1 71 71 GLU N N 71 120.533 120.533 114.231 6.302 19860 2606 1 6 . 1 1 71 71 GLU HA H 71 4.200 4.200 4.200 -0.000 19860 2607 1 6 . 1 1 71 71 GLU C C 71 176.250 176.250 176.431 -0.181 19860 2608 1 6 . 1 1 71 71 GLU CA C 71 56.609 56.609 58.506 -1.897 19860 2609 1 6 . 1 1 71 71 GLU CB C 71 30.475 30.475 28.178 2.297 19860 2610 1 6 . 1 1 71 71 GLU H H 71 8.244 8.244 8.610 -0.366 19860 2611 1 6 . 1 1 72 72 HIS N N 72 119.783 119.783 121.744 -1.961 19860 2612 1 6 . 1 1 72 72 HIS HA H 72 4.623 4.623 4.499 0.124 19860 2613 1 6 . 1 1 72 72 HIS C C 72 174.645 174.645 174.825 -0.180 19860 2614 1 6 . 1 1 72 72 HIS CA C 72 55.737 55.737 56.546 -0.809 19860 2615 1 6 . 1 1 72 72 HIS CB C 72 29.901 29.901 28.544 1.357 19860 2616 1 6 . 1 1 72 72 HIS H H 72 8.403 8.403 7.866 0.537 19860 2617 1 6 . 1 1 73 73 HIS N N 73 120.199 120.199 121.103 -0.904 19860 2618 1 6 . 1 1 73 73 HIS HA H 73 4.625 4.625 4.633 -0.008 19860 2619 1 6 . 1 1 73 73 HIS C C 73 174.552 174.552 173.459 1.093 19860 2620 1 6 . 1 1 73 73 HIS CA C 73 55.754 55.754 55.275 0.479 19860 2621 1 6 . 1 1 73 73 HIS CB C 73 29.976 29.976 29.566 0.410 19860 2622 1 6 . 1 1 73 73 HIS H H 73 8.539 8.539 8.096 0.443 19860 2623 1 6 . 1 1 74 74 HIS N N 74 120.457 120.457 120.140 0.317 19860 2624 1 6 . 1 1 74 74 HIS HA H 74 4.655 4.655 4.345 0.310 19860 2625 1 6 . 1 1 74 74 HIS C C 74 174.638 174.638 172.894 1.744 19860 2626 1 6 . 1 1 74 74 HIS CA C 74 55.771 55.771 55.642 0.129 19860 2627 1 6 . 1 1 74 74 HIS CB C 74 29.916 29.916 31.360 -1.444 19860 2628 1 6 . 1 1 74 74 HIS H H 74 8.681 8.681 7.501 1.180 19860 2629 1 6 . 1 1 75 75 HIS N N 75 120.782 120.782 126.196 -5.414 19860 2630 1 6 . 1 1 75 75 HIS HA H 75 4.671 4.671 4.517 0.154 19860 2631 1 6 . 1 1 75 75 HIS C C 75 174.525 174.525 174.434 0.091 19860 2632 1 6 . 1 1 75 75 HIS CA C 75 55.758 55.758 55.616 0.142 19860 2633 1 6 . 1 1 75 75 HIS CB C 75 29.934 29.934 30.449 -0.515 19860 2634 1 6 . 1 1 75 75 HIS H H 75 8.755 8.755 8.440 0.315 19860 2635 1 6 . 1 1 76 76 HIS N N 76 120.737 120.737 124.498 -3.761 19860 2636 1 6 . 1 1 76 76 HIS HA H 76 4.666 4.666 4.188 0.478 19860 2637 1 6 . 1 1 76 76 HIS C C 76 173.873 173.873 174.216 -0.343 19860 2638 1 6 . 1 1 76 76 HIS CA C 76 55.921 55.921 56.440 -0.519 19860 2639 1 6 . 1 1 76 76 HIS CB C 76 29.848 29.848 29.377 0.471 19860 2640 1 6 . 1 1 76 76 HIS H H 76 8.693 8.693 8.311 0.382 19860 2641 1 7 . 1 1 2 2 LEU HA H 2 4.435 4.435 4.319 0.116 19860 2642 1 7 . 1 1 2 2 LEU C C 2 176.773 176.773 175.784 0.989 19860 2643 1 7 . 1 1 2 2 LEU CA C 2 55.299 55.299 55.350 -0.051 19860 2644 1 7 . 1 1 2 2 LEU CB C 2 42.529 42.529 41.242 1.287 19860 2645 1 7 . 1 1 3 3 LYS N N 3 123.220 123.220 126.339 -3.119 19860 2646 1 7 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.298 0.027 19860 2647 1 7 . 1 1 3 3 LYS C C 3 176.224 176.224 177.190 -0.966 19860 2648 1 7 . 1 1 3 3 LYS CA C 3 56.344 56.344 57.533 -1.189 19860 2649 1 7 . 1 1 3 3 LYS CB C 3 33.335 33.335 32.885 0.450 19860 2650 1 7 . 1 1 3 3 LYS H H 3 8.520 8.520 8.615 -0.095 19860 2651 1 7 . 1 1 4 4 HIS N N 4 119.727 119.727 115.340 4.387 19860 2652 1 7 . 1 1 4 4 HIS HA H 4 4.721 4.721 4.705 0.016 19860 2653 1 7 . 1 1 4 4 HIS C C 4 175.318 175.318 173.898 1.420 19860 2654 1 7 . 1 1 4 4 HIS CA C 4 55.941 55.941 55.290 0.651 19860 2655 1 7 . 1 1 4 4 HIS CB C 4 30.636 30.636 32.515 -1.879 19860 2656 1 7 . 1 1 4 4 HIS H H 4 8.486 8.486 8.210 0.276 19860 2657 1 7 . 1 1 5 5 GLY N N 5 110.318 110.318 107.095 3.223 19860 2658 1 7 . 1 1 5 5 GLY C C 5 172.966 172.966 171.775 1.191 19860 2659 1 7 . 1 1 5 5 GLY CA C 5 45.146 45.146 45.512 -0.366 19860 2660 1 7 . 1 1 5 5 GLY H H 5 8.602 8.602 7.762 0.840 19860 2661 1 7 . 1 1 6 6 LYS N N 6 120.808 120.808 118.536 2.272 19860 2662 1 7 . 1 1 6 6 LYS HA H 6 4.438 4.438 4.827 -0.389 19860 2663 1 7 . 1 1 6 6 LYS C C 6 175.168 175.168 174.585 0.583 19860 2664 1 7 . 1 1 6 6 LYS CA C 6 56.179 56.179 54.539 1.640 19860 2665 1 7 . 1 1 6 6 LYS CB C 6 34.277 34.277 36.087 -1.810 19860 2666 1 7 . 1 1 6 6 LYS H H 6 8.275 8.275 8.611 -0.336 19860 2667 1 7 . 1 1 7 7 TYR N N 7 118.666 118.666 120.675 -2.009 19860 2668 1 7 . 1 1 7 7 TYR HA H 7 5.513 5.513 5.333 0.180 19860 2669 1 7 . 1 1 7 7 TYR C C 7 176.004 176.004 175.754 0.250 19860 2670 1 7 . 1 1 7 7 TYR CA C 7 56.971 56.971 58.164 -1.194 19860 2671 1 7 . 1 1 7 7 TYR CB C 7 41.032 41.032 39.186 1.846 19860 2672 1 7 . 1 1 7 7 TYR H H 7 8.351 8.351 8.978 -0.627 19860 2673 1 7 . 1 1 8 8 VAL N N 8 115.920 115.920 118.776 -2.856 19860 2674 1 7 . 1 1 8 8 VAL HA H 8 4.860 4.860 4.683 0.177 19860 2675 1 7 . 1 1 8 8 VAL C C 8 173.220 173.220 173.452 -0.232 19860 2676 1 7 . 1 1 8 8 VAL CA C 8 59.694 59.694 59.722 -0.028 19860 2677 1 7 . 1 1 8 8 VAL CB C 8 35.246 35.246 35.027 0.219 19860 2678 1 7 . 1 1 8 8 VAL H H 8 9.057 9.057 9.082 -0.025 19860 2679 1 7 . 1 1 9 9 TYR N N 9 118.786 118.786 117.433 1.353 19860 2680 1 7 . 1 1 9 9 TYR HA H 9 5.515 5.515 5.619 -0.104 19860 2681 1 7 . 1 1 9 9 TYR C C 9 175.072 175.072 175.728 -0.656 19860 2682 1 7 . 1 1 9 9 TYR CA C 9 56.576 56.576 55.990 0.586 19860 2683 1 7 . 1 1 9 9 TYR CB C 9 41.532 41.532 42.632 -1.100 19860 2684 1 7 . 1 1 9 9 TYR H H 9 9.117 9.117 9.070 0.047 19860 2685 1 7 . 1 1 10 10 ILE N N 10 121.376 121.376 121.725 -0.349 19860 2686 1 7 . 1 1 10 10 ILE HA H 10 4.887 4.887 4.817 0.070 19860 2687 1 7 . 1 1 10 10 ILE C C 10 176.044 176.044 176.030 0.014 19860 2688 1 7 . 1 1 10 10 ILE CA C 10 58.948 58.948 58.323 0.625 19860 2689 1 7 . 1 1 10 10 ILE CB C 10 38.537 38.537 38.024 0.513 19860 2690 1 7 . 1 1 10 10 ILE H H 10 9.514 9.514 8.898 0.616 19860 2691 1 7 . 1 1 11 11 ASP N N 11 126.501 126.501 127.890 -1.389 19860 2692 1 7 . 1 1 11 11 ASP HA H 11 4.390 4.390 4.471 -0.081 19860 2693 1 7 . 1 1 11 11 ASP C C 11 175.850 175.850 176.453 -0.603 19860 2694 1 7 . 1 1 11 11 ASP CA C 11 53.377 53.377 53.959 -0.582 19860 2695 1 7 . 1 1 11 11 ASP CB C 11 41.808 41.808 40.705 1.103 19860 2696 1 7 . 1 1 11 11 ASP H H 11 8.676 8.676 8.777 -0.101 19860 2697 1 7 . 1 1 12 12 LEU N N 12 127.505 127.505 124.211 3.294 19860 2698 1 7 . 1 1 12 12 LEU HA H 12 4.319 4.319 4.158 0.161 19860 2699 1 7 . 1 1 12 12 LEU C C 12 176.132 176.132 177.498 -1.366 19860 2700 1 7 . 1 1 12 12 LEU CA C 12 55.439 55.439 55.429 0.010 19860 2701 1 7 . 1 1 12 12 LEU CB C 12 40.312 40.312 41.766 -1.454 19860 2702 1 7 . 1 1 12 12 LEU H H 12 7.692 7.692 7.585 0.107 19860 2703 1 7 . 1 1 13 13 ASN N N 13 114.351 114.351 113.983 0.368 19860 2704 1 7 . 1 1 13 13 ASN HA H 13 4.391 4.391 4.258 0.133 19860 2705 1 7 . 1 1 13 13 ASN C C 13 174.440 174.440 174.782 -0.342 19860 2706 1 7 . 1 1 13 13 ASN CA C 13 54.482 54.482 54.782 -0.300 19860 2707 1 7 . 1 1 13 13 ASN CB C 13 37.861 37.861 37.885 -0.023 19860 2708 1 7 . 1 1 13 13 ASN H H 13 9.187 9.187 8.009 1.178 19860 2709 1 7 . 1 1 14 14 ASN N N 14 115.057 115.057 116.451 -1.394 19860 2710 1 7 . 1 1 14 14 ASN HA H 14 4.779 4.779 4.693 0.086 19860 2711 1 7 . 1 1 14 14 ASN C C 14 176.213 176.213 175.120 1.093 19860 2712 1 7 . 1 1 14 14 ASN CA C 14 52.149 52.149 52.562 -0.413 19860 2713 1 7 . 1 1 14 14 ASN CB C 14 38.727 38.727 37.989 0.738 19860 2714 1 7 . 1 1 14 14 ASN H H 14 7.737 7.737 7.993 -0.256 19860 2715 1 7 . 1 1 15 15 GLY N N 15 110.453 110.453 105.869 4.584 19860 2716 1 7 . 1 1 15 15 GLY C C 15 172.968 172.968 173.459 -0.491 19860 2717 1 7 . 1 1 15 15 GLY CA C 15 45.136 45.136 45.047 0.089 19860 2718 1 7 . 1 1 15 15 GLY H H 15 8.744 8.744 8.021 0.723 19860 2719 1 7 . 1 1 16 16 LYS N N 16 116.557 116.557 119.022 -2.465 19860 2720 1 7 . 1 1 16 16 LYS HA H 16 4.992 4.992 4.554 0.438 19860 2721 1 7 . 1 1 16 16 LYS C C 16 175.214 175.214 173.990 1.224 19860 2722 1 7 . 1 1 16 16 LYS CA C 16 54.653 54.653 55.158 -0.505 19860 2723 1 7 . 1 1 16 16 LYS CB C 16 35.359 35.359 35.396 -0.037 19860 2724 1 7 . 1 1 16 16 LYS H H 16 7.559 7.559 7.573 -0.014 19860 2725 1 7 . 1 1 17 17 TYR N N 17 117.020 117.020 117.703 -0.683 19860 2726 1 7 . 1 1 17 17 TYR HA H 17 5.551 5.551 4.918 0.633 19860 2727 1 7 . 1 1 17 17 TYR C C 17 175.491 175.491 174.623 0.868 19860 2728 1 7 . 1 1 17 17 TYR CA C 17 56.255 56.255 56.940 -0.685 19860 2729 1 7 . 1 1 17 17 TYR CB C 17 42.270 42.270 42.899 -0.629 19860 2730 1 7 . 1 1 17 17 TYR H H 17 8.577 8.577 8.133 0.444 19860 2731 1 7 . 1 1 18 18 VAL N N 18 121.032 121.032 120.933 0.099 19860 2732 1 7 . 1 1 18 18 VAL HA H 18 5.027 5.027 4.382 0.645 19860 2733 1 7 . 1 1 18 18 VAL C C 18 174.046 174.046 173.988 0.058 19860 2734 1 7 . 1 1 18 18 VAL CA C 18 59.711 59.711 60.344 -0.633 19860 2735 1 7 . 1 1 18 18 VAL CB C 18 35.076 35.076 33.964 1.112 19860 2736 1 7 . 1 1 18 18 VAL H H 18 8.829 8.829 8.398 0.431 19860 2737 1 7 . 1 1 19 19 LYS N N 19 130.251 130.251 129.293 0.958 19860 2738 1 7 . 1 1 19 19 LYS HA H 19 4.055 4.055 4.384 -0.329 19860 2739 1 7 . 1 1 19 19 LYS C C 19 175.628 175.628 175.190 0.438 19860 2740 1 7 . 1 1 19 19 LYS CA C 19 56.975 56.975 55.589 1.386 19860 2741 1 7 . 1 1 19 19 LYS CB C 19 33.380 33.380 32.989 0.391 19860 2742 1 7 . 1 1 19 19 LYS H H 19 8.388 8.388 7.965 0.423 19860 2743 1 7 . 1 1 20 20 VAL N N 20 127.530 127.530 125.308 2.222 19860 2744 1 7 . 1 1 20 20 VAL HA H 20 4.946 4.946 4.376 0.570 19860 2745 1 7 . 1 1 20 20 VAL C C 20 173.581 173.581 173.872 -0.291 19860 2746 1 7 . 1 1 20 20 VAL CA C 20 60.483 60.483 59.510 0.973 19860 2747 1 7 . 1 1 20 20 VAL CB C 20 35.665 35.665 36.399 -0.734 19860 2748 1 7 . 1 1 20 20 VAL H H 20 9.428 9.428 9.039 0.389 19860 2749 1 7 . 1 1 21 21 ARG N N 21 125.804 125.804 127.493 -1.689 19860 2750 1 7 . 1 1 21 21 ARG HA H 21 4.716 4.716 4.847 -0.131 19860 2751 1 7 . 1 1 21 21 ARG C C 21 174.905 174.905 175.084 -0.179 19860 2752 1 7 . 1 1 21 21 ARG CA C 21 54.864 54.864 54.773 0.091 19860 2753 1 7 . 1 1 21 21 ARG CB C 21 32.881 32.881 31.300 1.581 19860 2754 1 7 . 1 1 21 21 ARG H H 21 9.084 9.084 8.544 0.540 19860 2755 1 7 . 1 1 22 22 ILE N N 22 124.167 124.167 127.319 -3.152 19860 2756 1 7 . 1 1 22 22 ILE HA H 22 4.624 4.624 4.407 0.217 19860 2757 1 7 . 1 1 22 22 ILE C C 22 175.887 175.887 174.910 0.977 19860 2758 1 7 . 1 1 22 22 ILE CA C 22 59.717 59.717 58.934 0.783 19860 2759 1 7 . 1 1 22 22 ILE CB C 22 38.699 38.699 36.746 1.953 19860 2760 1 7 . 1 1 22 22 ILE H H 22 8.554 8.554 9.041 -0.487 19860 2761 1 7 . 1 1 23 23 LEU N N 23 128.981 128.981 130.644 -1.663 19860 2762 1 7 . 1 1 23 23 LEU HA H 23 4.663 4.663 4.503 0.160 19860 2763 1 7 . 1 1 23 23 LEU C C 23 176.174 176.174 175.910 0.264 19860 2764 1 7 . 1 1 23 23 LEU CA C 23 53.897 53.897 54.035 -0.138 19860 2765 1 7 . 1 1 23 23 LEU CB C 23 43.556 43.556 41.597 1.959 19860 2766 1 7 . 1 1 23 23 LEU H H 23 8.835 8.835 8.943 -0.108 19860 2767 1 7 . 1 1 24 24 LYS N N 24 122.797 122.797 126.123 -3.326 19860 2768 1 7 . 1 1 24 24 LYS HA H 24 4.568 4.568 4.322 0.246 19860 2769 1 7 . 1 1 24 24 LYS C C 24 176.407 176.407 175.959 0.448 19860 2770 1 7 . 1 1 24 24 LYS CA C 24 55.808 55.808 55.517 0.291 19860 2771 1 7 . 1 1 24 24 LYS CB C 24 34.082 34.082 32.340 1.742 19860 2772 1 7 . 1 1 24 24 LYS H H 24 8.566 8.566 8.633 -0.067 19860 2773 1 7 . 1 1 25 25 SER N N 25 118.453 118.453 124.521 -6.068 19860 2774 1 7 . 1 1 25 25 SER HA H 25 4.477 4.477 4.849 -0.372 19860 2775 1 7 . 1 1 25 25 SER C C 25 175.038 175.038 174.281 0.757 19860 2776 1 7 . 1 1 25 25 SER CA C 25 58.146 58.146 57.320 0.826 19860 2777 1 7 . 1 1 25 25 SER CB C 25 63.977 63.977 62.694 1.283 19860 2778 1 7 . 1 1 25 25 SER H H 25 8.668 8.668 8.989 -0.321 19860 2779 1 7 . 1 1 26 26 ARG N N 26 123.008 123.008 125.352 -2.344 19860 2780 1 7 . 1 1 26 26 ARG HA H 26 4.284 4.284 4.139 0.144 19860 2781 1 7 . 1 1 26 26 ARG C C 26 176.640 176.640 177.512 -0.872 19860 2782 1 7 . 1 1 26 26 ARG CA C 26 57.171 57.171 59.742 -2.571 19860 2783 1 7 . 1 1 26 26 ARG CB C 26 30.748 30.748 30.344 0.404 19860 2784 1 7 . 1 1 26 26 ARG H H 26 8.667 8.667 7.727 0.940 19860 2785 1 7 . 1 1 27 27 ASP N N 27 118.281 118.281 118.693 -0.412 19860 2786 1 7 . 1 1 27 27 ASP HA H 27 4.598 4.598 4.371 0.227 19860 2787 1 7 . 1 1 27 27 ASP C C 27 176.028 176.028 176.986 -0.958 19860 2788 1 7 . 1 1 27 27 ASP CA C 27 54.657 54.657 57.403 -2.746 19860 2789 1 7 . 1 1 27 27 ASP CB C 27 41.416 41.416 40.219 1.197 19860 2790 1 7 . 1 1 27 27 ASP H H 27 8.246 8.246 8.354 -0.108 19860 2791 1 7 . 1 1 28 28 ASP N N 28 118.646 118.646 117.451 1.195 19860 2792 1 7 . 1 1 28 28 ASP HA H 28 4.563 4.563 4.537 0.026 19860 2793 1 7 . 1 1 28 28 ASP C C 28 176.165 176.165 175.891 0.274 19860 2794 1 7 . 1 1 28 28 ASP CA C 28 54.822 54.822 54.944 -0.122 19860 2795 1 7 . 1 1 28 28 ASP CB C 28 41.150 41.150 41.837 -0.686 19860 2796 1 7 . 1 1 28 28 ASP H H 28 8.034 8.034 7.947 0.087 19860 2797 1 7 . 1 1 29 29 ASN N N 29 117.519 117.519 117.223 0.296 19860 2798 1 7 . 1 1 29 29 ASN HA H 29 4.734 4.734 4.657 0.077 19860 2799 1 7 . 1 1 29 29 ASN C C 29 175.116 175.116 174.059 1.057 19860 2800 1 7 . 1 1 29 29 ASN CA C 29 53.951 53.951 53.953 -0.002 19860 2801 1 7 . 1 1 29 29 ASN CB C 29 38.779 38.779 38.539 0.240 19860 2802 1 7 . 1 1 29 29 ASN H H 29 8.473 8.473 7.871 0.602 19860 2803 1 7 . 1 1 30 30 SER N N 30 114.910 114.910 113.050 1.860 19860 2804 1 7 . 1 1 30 30 SER HA H 30 4.493 4.493 3.966 0.527 19860 2805 1 7 . 1 1 30 30 SER C C 30 174.235 174.235 173.627 0.608 19860 2806 1 7 . 1 1 30 30 SER CA C 30 58.669 58.669 60.258 -1.589 19860 2807 1 7 . 1 1 30 30 SER CB C 30 64.403 64.403 62.016 2.387 19860 2808 1 7 . 1 1 30 30 SER H H 30 8.206 8.206 8.489 -0.283 19860 2809 1 7 . 1 1 31 31 VAL N N 31 121.640 121.640 120.052 1.588 19860 2810 1 7 . 1 1 31 31 VAL HA H 31 4.090 4.090 4.225 -0.135 19860 2811 1 7 . 1 1 31 31 VAL C C 31 175.873 175.873 174.560 1.313 19860 2812 1 7 . 1 1 31 31 VAL CA C 31 62.939 62.939 60.661 2.278 19860 2813 1 7 . 1 1 31 31 VAL CB C 31 32.878 32.878 34.452 -1.574 19860 2814 1 7 . 1 1 31 31 VAL H H 31 8.242 8.242 7.459 0.783 19860 2815 1 7 . 1 1 32 32 GLU N N 32 125.144 125.144 125.452 -0.308 19860 2816 1 7 . 1 1 32 32 GLU HA H 32 4.417 4.417 4.622 -0.205 19860 2817 1 7 . 1 1 32 32 GLU C C 32 175.532 175.532 175.469 0.063 19860 2818 1 7 . 1 1 32 32 GLU CA C 32 56.886 56.886 55.376 1.510 19860 2819 1 7 . 1 1 32 32 GLU CB C 32 31.059 31.059 29.722 1.337 19860 2820 1 7 . 1 1 32 32 GLU H H 32 8.679 8.679 8.632 0.047 19860 2821 1 7 . 1 1 33 33 LYS N N 33 120.222 120.222 126.458 -6.236 19860 2822 1 7 . 1 1 33 33 LYS HA H 33 4.574 4.574 4.267 0.307 19860 2823 1 7 . 1 1 33 33 LYS C C 33 174.194 174.194 175.470 -1.276 19860 2824 1 7 . 1 1 33 33 LYS CA C 33 55.324 55.324 55.355 -0.031 19860 2825 1 7 . 1 1 33 33 LYS CB C 33 35.258 35.258 33.161 2.097 19860 2826 1 7 . 1 1 33 33 LYS H H 33 8.229 8.229 8.690 -0.461 19860 2827 1 7 . 1 1 34 34 TYR N N 34 121.014 121.014 124.430 -3.416 19860 2828 1 7 . 1 1 34 34 TYR HA H 34 4.910 4.910 4.522 0.388 19860 2829 1 7 . 1 1 34 34 TYR C C 34 175.667 175.667 176.619 -0.952 19860 2830 1 7 . 1 1 34 34 TYR CA C 34 56.984 56.984 58.234 -1.250 19860 2831 1 7 . 1 1 34 34 TYR CB C 34 40.036 40.036 38.338 1.698 19860 2832 1 7 . 1 1 34 34 TYR H H 34 8.552 8.552 8.147 0.405 19860 2833 1 7 . 1 1 35 35 VAL N N 35 124.624 124.624 123.112 1.512 19860 2834 1 7 . 1 1 35 35 VAL HA H 35 4.301 4.301 3.930 0.371 19860 2835 1 7 . 1 1 35 35 VAL C C 35 175.490 175.490 176.303 -0.813 19860 2836 1 7 . 1 1 35 35 VAL CA C 35 61.869 61.869 63.026 -1.157 19860 2837 1 7 . 1 1 35 35 VAL CB C 35 33.510 33.510 33.173 0.337 19860 2838 1 7 . 1 1 35 35 VAL H H 35 9.337 9.337 8.085 1.252 19860 2839 1 7 . 1 1 36 36 LEU N N 36 127.814 127.814 123.183 4.631 19860 2840 1 7 . 1 1 36 36 LEU HA H 36 4.326 4.326 4.376 -0.050 19860 2841 1 7 . 1 1 36 36 LEU C C 36 177.355 177.355 177.030 0.325 19860 2842 1 7 . 1 1 36 36 LEU CA C 36 56.612 56.612 54.783 1.829 19860 2843 1 7 . 1 1 36 36 LEU CB C 36 41.899 41.899 40.787 1.112 19860 2844 1 7 . 1 1 36 36 LEU H H 36 8.845 8.845 8.282 0.563 19860 2845 1 7 . 1 1 37 37 THR N N 37 112.016 112.016 111.323 0.693 19860 2846 1 7 . 1 1 37 37 THR HA H 37 4.904 4.904 4.337 0.567 19860 2847 1 7 . 1 1 37 37 THR C C 37 173.228 173.228 174.342 -1.114 19860 2848 1 7 . 1 1 37 37 THR CA C 37 61.023 61.023 61.794 -0.771 19860 2849 1 7 . 1 1 37 37 THR CB C 37 70.829 70.829 69.817 1.012 19860 2850 1 7 . 1 1 37 37 THR H H 37 7.374 7.374 7.723 -0.349 19860 2851 1 7 . 1 1 38 38 SER N N 38 111.049 111.049 119.024 -7.975 19860 2852 1 7 . 1 1 38 38 SER HA H 38 4.635 4.635 4.538 0.097 19860 2853 1 7 . 1 1 38 38 SER C C 38 174.606 174.606 173.209 1.397 19860 2854 1 7 . 1 1 38 38 SER CA C 38 57.957 57.957 56.992 0.966 19860 2855 1 7 . 1 1 38 38 SER CB C 38 63.849 63.849 63.794 0.055 19860 2856 1 7 . 1 1 38 38 SER H H 38 8.387 8.387 8.328 0.059 19860 2857 1 7 . 1 1 39 39 HIS N N 39 122.230 122.230 123.002 -0.772 19860 2858 1 7 . 1 1 39 39 HIS HA H 39 4.768 4.768 3.903 0.865 19860 2859 1 7 . 1 1 39 39 HIS C C 39 173.143 173.143 174.547 -1.404 19860 2860 1 7 . 1 1 39 39 HIS CA C 39 56.328 56.328 57.344 -1.016 19860 2861 1 7 . 1 1 39 39 HIS CB C 39 29.938 29.938 30.404 -0.466 19860 2862 1 7 . 1 1 39 39 HIS H H 39 8.424 8.424 7.323 1.101 19860 2863 1 7 . 1 1 40 40 VAL N N 40 126.582 126.582 121.364 5.218 19860 2864 1 7 . 1 1 40 40 VAL HA H 40 4.915 4.915 4.188 0.727 19860 2865 1 7 . 1 1 40 40 VAL C C 40 175.763 175.763 175.531 0.232 19860 2866 1 7 . 1 1 40 40 VAL CA C 40 60.612 60.612 61.175 -0.563 19860 2867 1 7 . 1 1 40 40 VAL CB C 40 34.085 34.085 32.806 1.279 19860 2868 1 7 . 1 1 40 40 VAL H H 40 8.364 8.364 8.108 0.256 19860 2869 1 7 . 1 1 41 41 SER N N 41 121.067 121.067 119.823 1.244 19860 2870 1 7 . 1 1 41 41 SER HA H 41 4.947 4.947 4.913 0.034 19860 2871 1 7 . 1 1 41 41 SER C C 41 174.505 174.505 174.459 0.046 19860 2872 1 7 . 1 1 41 41 SER CA C 41 57.001 57.001 56.981 0.020 19860 2873 1 7 . 1 1 41 41 SER CB C 41 65.504 65.504 64.545 0.959 19860 2874 1 7 . 1 1 41 41 SER H H 41 9.297 9.297 9.117 0.180 19860 2875 1 7 . 1 1 42 42 LYS N N 42 123.812 123.812 123.591 0.221 19860 2876 1 7 . 1 1 42 42 LYS HA H 42 4.905 4.905 4.281 0.624 19860 2877 1 7 . 1 1 42 42 LYS C C 42 175.037 175.037 175.690 -0.653 19860 2878 1 7 . 1 1 42 42 LYS CA C 42 56.600 56.600 57.494 -0.894 19860 2879 1 7 . 1 1 42 42 LYS CB C 42 32.827 32.827 32.386 0.441 19860 2880 1 7 . 1 1 42 42 LYS H H 42 8.962 8.962 8.886 0.076 19860 2881 1 7 . 1 1 43 43 ASN N N 43 115.779 115.779 118.109 -2.330 19860 2882 1 7 . 1 1 43 43 ASN HA H 43 4.906 4.906 5.012 -0.106 19860 2883 1 7 . 1 1 43 43 ASN C C 43 173.479 173.479 174.533 -1.054 19860 2884 1 7 . 1 1 43 43 ASN CA C 43 51.840 51.840 52.038 -0.198 19860 2885 1 7 . 1 1 43 43 ASN CB C 43 40.763 40.763 41.778 -1.014 19860 2886 1 7 . 1 1 43 43 ASN H H 43 8.053 8.053 8.040 0.013 19860 2887 1 7 . 1 1 44 44 ARG N N 44 124.471 124.471 122.410 2.061 19860 2888 1 7 . 1 1 44 44 ARG HA H 44 3.217 3.217 4.386 -1.169 19860 2889 1 7 . 1 1 44 44 ARG C C 44 173.869 173.869 174.056 -0.187 19860 2890 1 7 . 1 1 44 44 ARG CA C 44 54.034 54.034 54.255 -0.221 19860 2891 1 7 . 1 1 44 44 ARG CB C 44 29.917 29.917 29.869 0.048 19860 2892 1 7 . 1 1 44 44 ARG H H 44 8.565 8.565 8.428 0.137 19860 2893 1 7 . 1 1 45 45 PRO HA H 45 4.123 4.123 4.249 -0.126 19860 2894 1 7 . 1 1 45 45 PRO C C 45 176.434 176.434 176.010 0.424 19860 2895 1 7 . 1 1 45 45 PRO CA C 45 62.292 62.292 62.308 -0.016 19860 2896 1 7 . 1 1 45 45 PRO CB C 45 32.110 32.110 31.747 0.363 19860 2897 1 7 . 1 1 46 46 LYS N N 46 122.529 122.529 123.334 -0.805 19860 2898 1 7 . 1 1 46 46 LYS HA H 46 4.110 4.110 4.098 0.012 19860 2899 1 7 . 1 1 46 46 LYS C C 46 176.931 176.931 177.175 -0.244 19860 2900 1 7 . 1 1 46 46 LYS CA C 46 57.000 57.000 57.282 -0.282 19860 2901 1 7 . 1 1 46 46 LYS CB C 46 33.095 33.095 32.842 0.254 19860 2902 1 7 . 1 1 46 46 LYS H H 46 8.470 8.470 8.403 0.067 19860 2903 1 7 . 1 1 47 47 ASN N N 47 117.122 117.122 119.166 -2.044 19860 2904 1 7 . 1 1 47 47 ASN HA H 47 4.589 4.589 4.759 -0.170 19860 2905 1 7 . 1 1 47 47 ASN C C 47 174.011 174.011 173.602 0.409 19860 2906 1 7 . 1 1 47 47 ASN CA C 47 53.493 53.493 52.894 0.599 19860 2907 1 7 . 1 1 47 47 ASN CB C 47 37.868 37.868 38.154 -0.285 19860 2908 1 7 . 1 1 47 47 ASN H H 47 8.745 8.745 8.298 0.447 19860 2909 1 7 . 1 1 48 48 ALA N N 48 119.908 119.908 125.569 -5.661 19860 2910 1 7 . 1 1 48 48 ALA HA H 48 4.609 4.609 4.545 0.064 19860 2911 1 7 . 1 1 48 48 ALA C C 48 176.506 176.506 175.579 0.927 19860 2912 1 7 . 1 1 48 48 ALA CA C 48 51.136 51.136 51.483 -0.347 19860 2913 1 7 . 1 1 48 48 ALA CB C 48 22.389 22.389 21.752 0.637 19860 2914 1 7 . 1 1 48 48 ALA H H 48 7.394 7.394 7.846 -0.452 19860 2915 1 7 . 1 1 49 49 ILE N N 49 123.192 123.192 122.611 0.581 19860 2916 1 7 . 1 1 49 49 ILE HA H 49 4.140 4.140 4.385 -0.245 19860 2917 1 7 . 1 1 49 49 ILE C C 49 174.731 174.731 175.262 -0.531 19860 2918 1 7 . 1 1 49 49 ILE CA C 49 61.597 61.597 60.244 1.353 19860 2919 1 7 . 1 1 49 49 ILE CB C 49 38.166 38.166 37.259 0.907 19860 2920 1 7 . 1 1 49 49 ILE H H 49 8.878 8.878 8.823 0.055 19860 2921 1 7 . 1 1 50 50 VAL N N 50 127.552 127.552 124.487 3.065 19860 2922 1 7 . 1 1 50 50 VAL HA H 50 5.289 5.289 5.411 -0.122 19860 2923 1 7 . 1 1 50 50 VAL C C 50 176.411 176.411 175.491 0.920 19860 2924 1 7 . 1 1 50 50 VAL CA C 50 60.499 60.499 59.685 0.814 19860 2925 1 7 . 1 1 50 50 VAL CB C 50 33.890 33.890 32.714 1.176 19860 2926 1 7 . 1 1 50 50 VAL H H 50 8.371 8.371 8.329 0.042 19860 2927 1 7 . 1 1 51 51 ILE N N 51 126.906 126.906 128.081 -1.175 19860 2928 1 7 . 1 1 51 51 ILE HA H 51 4.691 4.691 4.414 0.277 19860 2929 1 7 . 1 1 51 51 ILE C C 51 175.322 175.322 175.151 0.171 19860 2930 1 7 . 1 1 51 51 ILE CA C 51 59.439 59.439 60.263 -0.824 19860 2931 1 7 . 1 1 51 51 ILE CB C 51 41.189 41.189 40.087 1.102 19860 2932 1 7 . 1 1 51 51 ILE H H 51 9.314 9.314 9.204 0.110 19860 2933 1 7 . 1 1 52 52 LYS N N 52 123.523 123.523 127.618 -4.095 19860 2934 1 7 . 1 1 52 52 LYS HA H 52 4.686 4.686 4.604 0.082 19860 2935 1 7 . 1 1 52 52 LYS C C 52 178.237 178.237 178.049 0.188 19860 2936 1 7 . 1 1 52 52 LYS CA C 52 56.120 56.120 55.963 0.157 19860 2937 1 7 . 1 1 52 52 LYS CB C 52 33.392 33.392 33.761 -0.369 19860 2938 1 7 . 1 1 52 52 LYS H H 52 8.737 8.737 8.786 -0.049 19860 2939 1 7 . 1 1 53 53 MET N N 53 119.701 119.701 122.079 -2.378 19860 2940 1 7 . 1 1 53 53 MET HA H 53 3.908 3.908 4.016 -0.108 19860 2941 1 7 . 1 1 53 53 MET C C 53 177.401 177.401 178.239 -0.838 19860 2942 1 7 . 1 1 53 53 MET CA C 53 58.725 58.725 60.145 -1.420 19860 2943 1 7 . 1 1 53 53 MET CB C 53 33.383 33.383 32.263 1.120 19860 2944 1 7 . 1 1 53 53 MET H H 53 8.799 8.799 8.360 0.439 19860 2945 1 7 . 1 1 54 54 ASP N N 54 113.357 113.357 118.290 -4.933 19860 2946 1 7 . 1 1 54 54 ASP HA H 54 4.288 4.288 4.332 -0.044 19860 2947 1 7 . 1 1 54 54 ASP C C 54 176.649 176.649 177.380 -0.731 19860 2948 1 7 . 1 1 54 54 ASP CA C 54 56.682 56.682 56.777 -0.095 19860 2949 1 7 . 1 1 54 54 ASP CB C 54 40.670 40.670 40.710 -0.040 19860 2950 1 7 . 1 1 54 54 ASP H H 54 8.262 8.262 8.617 -0.355 19860 2951 1 7 . 1 1 55 55 ASN N N 55 114.935 114.935 116.234 -1.299 19860 2952 1 7 . 1 1 55 55 ASN HA H 55 5.001 5.001 4.730 0.271 19860 2953 1 7 . 1 1 55 55 ASN C C 55 175.032 175.032 175.207 -0.175 19860 2954 1 7 . 1 1 55 55 ASN CA C 55 52.897 52.897 53.601 -0.704 19860 2955 1 7 . 1 1 55 55 ASN CB C 55 39.184 39.184 39.587 -0.403 19860 2956 1 7 . 1 1 55 55 ASN H H 55 7.971 7.971 7.833 0.138 19860 2957 1 7 . 1 1 56 56 LEU N N 56 120.385 120.385 122.412 -2.027 19860 2958 1 7 . 1 1 56 56 LEU HA H 56 4.488 4.488 4.583 -0.095 19860 2959 1 7 . 1 1 56 56 LEU C C 56 174.131 174.131 174.559 -0.428 19860 2960 1 7 . 1 1 56 56 LEU CA C 56 52.912 52.912 51.292 1.620 19860 2961 1 7 . 1 1 56 56 LEU CB C 56 41.958 41.958 41.659 0.299 19860 2962 1 7 . 1 1 56 56 LEU H H 56 7.331 7.331 7.606 -0.275 19860 2963 1 7 . 1 1 57 57 PRO HA H 57 4.617 4.617 4.504 0.113 19860 2964 1 7 . 1 1 57 57 PRO C C 57 178.627 178.627 177.756 0.871 19860 2965 1 7 . 1 1 57 57 PRO CA C 57 62.751 62.751 62.666 0.084 19860 2966 1 7 . 1 1 57 57 PRO CB C 57 32.718 32.718 32.375 0.343 19860 2967 1 7 . 1 1 58 58 ILE N N 58 125.295 125.295 120.232 5.063 19860 2968 1 7 . 1 1 58 58 ILE HA H 58 3.783 3.783 3.767 0.016 19860 2969 1 7 . 1 1 58 58 ILE C C 58 176.776 176.776 177.423 -0.647 19860 2970 1 7 . 1 1 58 58 ILE CA C 58 64.583 64.583 64.391 0.192 19860 2971 1 7 . 1 1 58 58 ILE CB C 58 37.959 37.959 37.377 0.583 19860 2972 1 7 . 1 1 58 58 ILE H H 58 8.882 8.882 8.370 0.512 19860 2973 1 7 . 1 1 59 59 GLU N N 59 118.869 118.869 120.165 -1.296 19860 2974 1 7 . 1 1 59 59 GLU HA H 59 4.254 4.254 4.090 0.164 19860 2975 1 7 . 1 1 59 59 GLU C C 59 179.370 179.370 178.822 0.548 19860 2976 1 7 . 1 1 59 59 GLU CA C 59 59.757 59.757 59.318 0.439 19860 2977 1 7 . 1 1 59 59 GLU CB C 59 29.053 29.053 28.563 0.490 19860 2978 1 7 . 1 1 59 59 GLU H H 59 9.348 9.348 8.947 0.401 19860 2979 1 7 . 1 1 60 60 VAL N N 60 118.990 118.990 121.723 -2.733 19860 2980 1 7 . 1 1 60 60 VAL HA H 60 3.772 3.772 3.595 0.177 19860 2981 1 7 . 1 1 60 60 VAL C C 60 177.451 177.451 177.677 -0.226 19860 2982 1 7 . 1 1 60 60 VAL CA C 60 65.331 65.331 66.264 -0.933 19860 2983 1 7 . 1 1 60 60 VAL CB C 60 31.869 31.869 31.628 0.241 19860 2984 1 7 . 1 1 60 60 VAL H H 60 7.290 7.290 7.471 -0.181 19860 2985 1 7 . 1 1 61 61 LYS N N 61 120.824 120.824 119.760 1.064 19860 2986 1 7 . 1 1 61 61 LYS HA H 61 3.782 3.782 3.901 -0.119 19860 2987 1 7 . 1 1 61 61 LYS C C 61 179.444 179.444 178.843 0.601 19860 2988 1 7 . 1 1 61 61 LYS CA C 61 61.060 61.060 60.034 1.026 19860 2989 1 7 . 1 1 61 61 LYS CB C 61 32.196 32.196 31.953 0.243 19860 2990 1 7 . 1 1 61 61 LYS H H 61 8.043 8.043 8.094 -0.051 19860 2991 1 7 . 1 1 62 62 ASP N N 62 119.231 119.231 120.194 -0.963 19860 2992 1 7 . 1 1 62 62 ASP HA H 62 4.427 4.427 4.364 0.063 19860 2993 1 7 . 1 1 62 62 ASP C C 62 178.420 178.420 177.949 0.471 19860 2994 1 7 . 1 1 62 62 ASP CA C 62 57.851 57.851 57.543 0.308 19860 2995 1 7 . 1 1 62 62 ASP CB C 62 40.780 40.780 40.661 0.119 19860 2996 1 7 . 1 1 62 62 ASP H H 62 8.766 8.766 8.399 0.367 19860 2997 1 7 . 1 1 63 63 LYS N N 63 119.623 119.623 119.679 -0.056 19860 2998 1 7 . 1 1 63 63 LYS HA H 63 4.025 4.025 4.003 0.022 19860 2999 1 7 . 1 1 63 63 LYS C C 63 178.866 178.866 179.260 -0.394 19860 3000 1 7 . 1 1 63 63 LYS CA C 63 59.667 59.667 59.436 0.231 19860 3001 1 7 . 1 1 63 63 LYS CB C 63 32.929 32.929 32.514 0.415 19860 3002 1 7 . 1 1 63 63 LYS H H 63 7.391 7.391 7.538 -0.147 19860 3003 1 7 . 1 1 64 64 LEU N N 64 118.806 118.806 119.790 -0.984 19860 3004 1 7 . 1 1 64 64 LEU HA H 64 4.216 4.216 3.876 0.340 19860 3005 1 7 . 1 1 64 64 LEU C C 64 178.793 178.793 178.367 0.426 19860 3006 1 7 . 1 1 64 64 LEU CA C 64 58.011 58.011 58.013 -0.001 19860 3007 1 7 . 1 1 64 64 LEU CB C 64 42.251 42.251 41.445 0.806 19860 3008 1 7 . 1 1 64 64 LEU H H 64 8.357 8.357 8.255 0.102 19860 3009 1 7 . 1 1 65 65 THR N N 65 115.102 115.102 114.707 0.395 19860 3010 1 7 . 1 1 65 65 THR HA H 65 3.920 3.920 3.668 0.252 19860 3011 1 7 . 1 1 65 65 THR C C 65 176.410 176.410 176.854 -0.444 19860 3012 1 7 . 1 1 65 65 THR CA C 65 66.705 66.705 66.340 0.366 19860 3013 1 7 . 1 1 65 65 THR CB C 65 68.876 68.876 68.245 0.631 19860 3014 1 7 . 1 1 65 65 THR H H 65 8.343 8.343 8.178 0.165 19860 3015 1 7 . 1 1 66 66 ARG N N 66 119.405 119.405 120.495 -1.090 19860 3016 1 7 . 1 1 66 66 ARG HA H 66 4.067 4.067 4.040 0.026 19860 3017 1 7 . 1 1 66 66 ARG C C 66 177.988 177.988 177.914 0.074 19860 3018 1 7 . 1 1 66 66 ARG CA C 66 58.961 58.961 59.000 -0.039 19860 3019 1 7 . 1 1 66 66 ARG CB C 66 30.302 30.302 29.806 0.496 19860 3020 1 7 . 1 1 66 66 ARG H H 66 7.832 7.832 8.191 -0.359 19860 3021 1 7 . 1 1 67 67 PHE N N 67 117.304 117.304 119.431 -2.127 19860 3022 1 7 . 1 1 67 67 PHE HA H 67 4.323 4.323 4.236 0.087 19860 3023 1 7 . 1 1 67 67 PHE C C 67 177.141 177.141 176.063 1.078 19860 3024 1 7 . 1 1 67 67 PHE CA C 67 59.989 59.989 60.758 -0.769 19860 3025 1 7 . 1 1 67 67 PHE CB C 67 39.269 39.269 40.231 -0.962 19860 3026 1 7 . 1 1 67 67 PHE H H 67 8.190 8.190 7.523 0.667 19860 3027 1 7 . 1 1 68 68 PHE N N 68 114.297 114.297 111.607 2.690 19860 3028 1 7 . 1 1 68 68 PHE HA H 68 4.696 4.696 4.747 -0.051 19860 3029 1 7 . 1 1 68 68 PHE C C 68 175.969 175.969 174.655 1.314 19860 3030 1 7 . 1 1 68 68 PHE CA C 68 59.112 59.112 57.034 2.078 19860 3031 1 7 . 1 1 68 68 PHE CB C 68 40.100 40.100 39.831 0.269 19860 3032 1 7 . 1 1 68 68 PHE H H 68 8.087 8.087 7.369 0.718 19860 3033 1 7 . 1 1 69 69 LEU N N 69 119.594 119.594 120.035 -0.441 19860 3034 1 7 . 1 1 69 69 LEU HA H 69 4.476 4.476 4.620 -0.144 19860 3035 1 7 . 1 1 69 69 LEU C C 69 177.425 177.425 177.216 0.209 19860 3036 1 7 . 1 1 69 69 LEU CA C 69 55.805 55.805 54.847 0.958 19860 3037 1 7 . 1 1 69 69 LEU CB C 69 41.399 41.399 44.379 -2.980 19860 3038 1 7 . 1 1 69 69 LEU H H 69 7.823 7.823 7.437 0.386 19860 3039 1 7 . 1 1 70 70 LEU N N 70 119.723 119.723 116.705 3.018 19860 3040 1 7 . 1 1 70 70 LEU HA H 70 4.341 4.341 3.672 0.669 19860 3041 1 7 . 1 1 70 70 LEU C C 70 177.443 177.443 177.471 -0.028 19860 3042 1 7 . 1 1 70 70 LEU CA C 70 55.288 55.288 57.551 -2.263 19860 3043 1 7 . 1 1 70 70 LEU CB C 70 42.205 42.205 40.828 1.377 19860 3044 1 7 . 1 1 70 70 LEU H H 70 7.905 7.905 8.469 -0.564 19860 3045 1 7 . 1 1 71 71 GLU N N 71 120.533 120.533 115.394 5.139 19860 3046 1 7 . 1 1 71 71 GLU HA H 71 4.200 4.200 4.401 -0.201 19860 3047 1 7 . 1 1 71 71 GLU C C 71 176.250 176.250 175.693 0.557 19860 3048 1 7 . 1 1 71 71 GLU CA C 71 56.609 56.609 56.399 0.210 19860 3049 1 7 . 1 1 71 71 GLU CB C 71 30.475 30.475 31.768 -1.293 19860 3050 1 7 . 1 1 71 71 GLU H H 71 8.244 8.244 8.175 0.069 19860 3051 1 7 . 1 1 72 72 HIS N N 72 119.783 119.783 120.930 -1.147 19860 3052 1 7 . 1 1 72 72 HIS HA H 72 4.623 4.623 4.811 -0.188 19860 3053 1 7 . 1 1 72 72 HIS C C 72 174.645 174.645 174.145 0.500 19860 3054 1 7 . 1 1 72 72 HIS CA C 72 55.737 55.737 55.351 0.386 19860 3055 1 7 . 1 1 72 72 HIS CB C 72 29.901 29.901 31.068 -1.167 19860 3056 1 7 . 1 1 72 72 HIS H H 72 8.403 8.403 8.104 0.299 19860 3057 1 7 . 1 1 73 73 HIS N N 73 120.199 120.199 123.535 -3.336 19860 3058 1 7 . 1 1 73 73 HIS HA H 73 4.625 4.625 4.844 -0.219 19860 3059 1 7 . 1 1 73 73 HIS C C 73 174.552 174.552 173.147 1.405 19860 3060 1 7 . 1 1 73 73 HIS CA C 73 55.754 55.754 54.167 1.587 19860 3061 1 7 . 1 1 73 73 HIS CB C 73 29.976 29.976 31.728 -1.752 19860 3062 1 7 . 1 1 73 73 HIS H H 73 8.539 8.539 7.991 0.548 19860 3063 1 7 . 1 1 74 74 HIS N N 74 120.457 120.457 118.386 2.071 19860 3064 1 7 . 1 1 74 74 HIS HA H 74 4.655 4.655 4.792 -0.137 19860 3065 1 7 . 1 1 74 74 HIS C C 74 174.638 174.638 174.105 0.533 19860 3066 1 7 . 1 1 74 74 HIS CA C 74 55.771 55.771 55.069 0.702 19860 3067 1 7 . 1 1 74 74 HIS CB C 74 29.916 29.916 31.218 -1.302 19860 3068 1 7 . 1 1 74 74 HIS H H 74 8.681 8.681 8.129 0.552 19860 3069 1 7 . 1 1 75 75 HIS N N 75 120.782 120.782 120.766 0.016 19860 3070 1 7 . 1 1 75 75 HIS HA H 75 4.671 4.671 4.531 0.140 19860 3071 1 7 . 1 1 75 75 HIS C C 75 174.525 174.525 174.599 -0.074 19860 3072 1 7 . 1 1 75 75 HIS CA C 75 55.758 55.758 57.183 -1.425 19860 3073 1 7 . 1 1 75 75 HIS CB C 75 29.934 29.934 30.308 -0.374 19860 3074 1 7 . 1 1 75 75 HIS H H 75 8.755 8.755 8.600 0.155 19860 3075 1 7 . 1 1 76 76 HIS N N 76 120.737 120.737 121.632 -0.895 19860 3076 1 7 . 1 1 76 76 HIS HA H 76 4.666 4.666 4.315 0.351 19860 3077 1 7 . 1 1 76 76 HIS C C 76 173.873 173.873 173.364 0.509 19860 3078 1 7 . 1 1 76 76 HIS CA C 76 55.921 55.921 54.969 0.952 19860 3079 1 7 . 1 1 76 76 HIS CB C 76 29.848 29.848 30.630 -0.782 19860 3080 1 7 . 1 1 76 76 HIS H H 76 8.693 8.693 8.106 0.587 19860 3081 1 8 . 1 1 2 2 LEU HA H 2 4.435 4.435 4.586 -0.151 19860 3082 1 8 . 1 1 2 2 LEU C C 2 176.773 176.773 175.590 1.183 19860 3083 1 8 . 1 1 2 2 LEU CA C 2 55.299 55.299 54.579 0.720 19860 3084 1 8 . 1 1 2 2 LEU CB C 2 42.529 42.529 42.625 -0.096 19860 3085 1 8 . 1 1 3 3 LYS N N 3 123.220 123.220 124.147 -0.927 19860 3086 1 8 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.576 -0.251 19860 3087 1 8 . 1 1 3 3 LYS C C 3 176.224 176.224 175.269 0.955 19860 3088 1 8 . 1 1 3 3 LYS CA C 3 56.344 56.344 54.866 1.478 19860 3089 1 8 . 1 1 3 3 LYS CB C 3 33.335 33.335 33.802 -0.467 19860 3090 1 8 . 1 1 3 3 LYS H H 3 8.520 8.520 8.510 0.010 19860 3091 1 8 . 1 1 4 4 HIS N N 4 119.727 119.727 119.505 0.222 19860 3092 1 8 . 1 1 4 4 HIS HA H 4 4.721 4.721 4.216 0.505 19860 3093 1 8 . 1 1 4 4 HIS C C 4 175.318 175.318 173.740 1.578 19860 3094 1 8 . 1 1 4 4 HIS CA C 4 55.941 55.941 56.153 -0.212 19860 3095 1 8 . 1 1 4 4 HIS CB C 4 30.636 30.636 30.320 0.316 19860 3096 1 8 . 1 1 4 4 HIS H H 4 8.486 8.486 8.905 -0.419 19860 3097 1 8 . 1 1 5 5 GLY N N 5 110.318 110.318 111.067 -0.749 19860 3098 1 8 . 1 1 5 5 GLY C C 5 172.966 172.966 172.914 0.052 19860 3099 1 8 . 1 1 5 5 GLY CA C 5 45.146 45.146 44.407 0.739 19860 3100 1 8 . 1 1 5 5 GLY H H 5 8.602 8.602 8.111 0.491 19860 3101 1 8 . 1 1 6 6 LYS N N 6 120.808 120.808 121.973 -1.165 19860 3102 1 8 . 1 1 6 6 LYS HA H 6 4.438 4.438 4.593 -0.155 19860 3103 1 8 . 1 1 6 6 LYS C C 6 175.168 175.168 174.849 0.319 19860 3104 1 8 . 1 1 6 6 LYS CA C 6 56.179 56.179 54.562 1.617 19860 3105 1 8 . 1 1 6 6 LYS CB C 6 34.277 34.277 35.603 -1.327 19860 3106 1 8 . 1 1 6 6 LYS H H 6 8.275 8.275 8.285 -0.010 19860 3107 1 8 . 1 1 7 7 TYR N N 7 118.666 118.666 120.378 -1.712 19860 3108 1 8 . 1 1 7 7 TYR HA H 7 5.513 5.513 5.235 0.278 19860 3109 1 8 . 1 1 7 7 TYR C C 7 176.004 176.004 176.246 -0.242 19860 3110 1 8 . 1 1 7 7 TYR CA C 7 56.971 56.971 57.433 -0.462 19860 3111 1 8 . 1 1 7 7 TYR CB C 7 41.032 41.032 39.180 1.852 19860 3112 1 8 . 1 1 7 7 TYR H H 7 8.351 8.351 8.434 -0.083 19860 3113 1 8 . 1 1 8 8 VAL N N 8 115.920 115.920 118.140 -2.220 19860 3114 1 8 . 1 1 8 8 VAL HA H 8 4.860 4.860 4.963 -0.103 19860 3115 1 8 . 1 1 8 8 VAL C C 8 173.220 173.220 173.711 -0.491 19860 3116 1 8 . 1 1 8 8 VAL CA C 8 59.694 59.694 59.022 0.673 19860 3117 1 8 . 1 1 8 8 VAL CB C 8 35.246 35.246 35.278 -0.032 19860 3118 1 8 . 1 1 8 8 VAL H H 8 9.057 9.057 8.879 0.178 19860 3119 1 8 . 1 1 9 9 TYR N N 9 118.786 118.786 116.935 1.851 19860 3120 1 8 . 1 1 9 9 TYR HA H 9 5.515 5.515 5.800 -0.285 19860 3121 1 8 . 1 1 9 9 TYR C C 9 175.072 175.072 175.866 -0.794 19860 3122 1 8 . 1 1 9 9 TYR CA C 9 56.576 56.576 55.779 0.797 19860 3123 1 8 . 1 1 9 9 TYR CB C 9 41.532 41.532 42.479 -0.947 19860 3124 1 8 . 1 1 9 9 TYR H H 9 9.117 9.117 8.495 0.622 19860 3125 1 8 . 1 1 10 10 ILE N N 10 121.376 121.376 121.498 -0.122 19860 3126 1 8 . 1 1 10 10 ILE HA H 10 4.887 4.887 4.778 0.109 19860 3127 1 8 . 1 1 10 10 ILE C C 10 176.044 176.044 176.001 0.043 19860 3128 1 8 . 1 1 10 10 ILE CA C 10 58.948 58.948 58.232 0.716 19860 3129 1 8 . 1 1 10 10 ILE CB C 10 38.537 38.537 38.563 -0.026 19860 3130 1 8 . 1 1 10 10 ILE H H 10 9.514 9.514 8.548 0.966 19860 3131 1 8 . 1 1 11 11 ASP N N 11 126.501 126.501 127.270 -0.769 19860 3132 1 8 . 1 1 11 11 ASP HA H 11 4.390 4.390 4.432 -0.042 19860 3133 1 8 . 1 1 11 11 ASP C C 11 175.850 175.850 176.548 -0.698 19860 3134 1 8 . 1 1 11 11 ASP CA C 11 53.377 53.377 53.811 -0.434 19860 3135 1 8 . 1 1 11 11 ASP CB C 11 41.808 41.808 40.552 1.256 19860 3136 1 8 . 1 1 11 11 ASP H H 11 8.676 8.676 8.924 -0.248 19860 3137 1 8 . 1 1 12 12 LEU N N 12 127.505 127.505 124.970 2.535 19860 3138 1 8 . 1 1 12 12 LEU HA H 12 4.319 4.319 4.185 0.134 19860 3139 1 8 . 1 1 12 12 LEU C C 12 176.132 176.132 177.651 -1.519 19860 3140 1 8 . 1 1 12 12 LEU CA C 12 55.439 55.439 55.474 -0.035 19860 3141 1 8 . 1 1 12 12 LEU CB C 12 40.312 40.312 42.047 -1.735 19860 3142 1 8 . 1 1 12 12 LEU H H 12 7.692 7.692 7.708 -0.016 19860 3143 1 8 . 1 1 13 13 ASN N N 13 114.351 114.351 115.242 -0.891 19860 3144 1 8 . 1 1 13 13 ASN HA H 13 4.391 4.391 4.321 0.070 19860 3145 1 8 . 1 1 13 13 ASN C C 13 174.440 174.440 174.749 -0.309 19860 3146 1 8 . 1 1 13 13 ASN CA C 13 54.482 54.482 55.217 -0.735 19860 3147 1 8 . 1 1 13 13 ASN CB C 13 37.861 37.861 36.992 0.869 19860 3148 1 8 . 1 1 13 13 ASN H H 13 9.187 9.187 8.191 0.996 19860 3149 1 8 . 1 1 14 14 ASN N N 14 115.057 115.057 117.946 -2.889 19860 3150 1 8 . 1 1 14 14 ASN HA H 14 4.779 4.779 4.737 0.042 19860 3151 1 8 . 1 1 14 14 ASN C C 14 176.213 176.213 176.073 0.140 19860 3152 1 8 . 1 1 14 14 ASN CA C 14 52.149 52.149 53.318 -1.169 19860 3153 1 8 . 1 1 14 14 ASN CB C 14 38.727 38.727 38.414 0.313 19860 3154 1 8 . 1 1 14 14 ASN H H 14 7.737 7.737 7.853 -0.116 19860 3155 1 8 . 1 1 15 15 GLY N N 15 110.453 110.453 105.245 5.208 19860 3156 1 8 . 1 1 15 15 GLY C C 15 172.968 172.968 172.870 0.098 19860 3157 1 8 . 1 1 15 15 GLY CA C 15 45.136 45.136 44.875 0.261 19860 3158 1 8 . 1 1 15 15 GLY H H 15 8.744 8.744 8.373 0.371 19860 3159 1 8 . 1 1 16 16 LYS N N 16 116.557 116.557 117.660 -1.103 19860 3160 1 8 . 1 1 16 16 LYS HA H 16 4.992 4.992 4.886 0.106 19860 3161 1 8 . 1 1 16 16 LYS C C 16 175.214 175.214 174.080 1.134 19860 3162 1 8 . 1 1 16 16 LYS CA C 16 54.653 54.653 54.786 -0.133 19860 3163 1 8 . 1 1 16 16 LYS CB C 16 35.359 35.359 35.326 0.033 19860 3164 1 8 . 1 1 16 16 LYS H H 16 7.559 7.559 7.265 0.294 19860 3165 1 8 . 1 1 17 17 TYR N N 17 117.020 117.020 117.428 -0.408 19860 3166 1 8 . 1 1 17 17 TYR HA H 17 5.551 5.551 4.872 0.679 19860 3167 1 8 . 1 1 17 17 TYR C C 17 175.491 175.491 174.320 1.171 19860 3168 1 8 . 1 1 17 17 TYR CA C 17 56.255 56.255 57.063 -0.808 19860 3169 1 8 . 1 1 17 17 TYR CB C 17 42.270 42.270 42.950 -0.680 19860 3170 1 8 . 1 1 17 17 TYR H H 17 8.577 8.577 9.098 -0.521 19860 3171 1 8 . 1 1 18 18 VAL N N 18 121.032 121.032 121.164 -0.132 19860 3172 1 8 . 1 1 18 18 VAL HA H 18 5.027 5.027 4.453 0.574 19860 3173 1 8 . 1 1 18 18 VAL C C 18 174.046 174.046 174.332 -0.286 19860 3174 1 8 . 1 1 18 18 VAL CA C 18 59.711 59.711 60.335 -0.624 19860 3175 1 8 . 1 1 18 18 VAL CB C 18 35.076 35.076 34.109 0.967 19860 3176 1 8 . 1 1 18 18 VAL H H 18 8.829 8.829 8.368 0.461 19860 3177 1 8 . 1 1 19 19 LYS N N 19 130.251 130.251 130.509 -0.258 19860 3178 1 8 . 1 1 19 19 LYS HA H 19 4.055 4.055 4.320 -0.265 19860 3179 1 8 . 1 1 19 19 LYS C C 19 175.628 175.628 175.255 0.373 19860 3180 1 8 . 1 1 19 19 LYS CA C 19 56.975 56.975 55.470 1.505 19860 3181 1 8 . 1 1 19 19 LYS CB C 19 33.380 33.380 32.489 0.891 19860 3182 1 8 . 1 1 19 19 LYS H H 19 8.388 8.388 8.424 -0.036 19860 3183 1 8 . 1 1 20 20 VAL N N 20 127.530 127.530 125.471 2.059 19860 3184 1 8 . 1 1 20 20 VAL HA H 20 4.946 4.946 4.417 0.529 19860 3185 1 8 . 1 1 20 20 VAL C C 20 173.581 173.581 173.803 -0.222 19860 3186 1 8 . 1 1 20 20 VAL CA C 20 60.483 60.483 59.448 1.035 19860 3187 1 8 . 1 1 20 20 VAL CB C 20 35.665 35.665 35.399 0.266 19860 3188 1 8 . 1 1 20 20 VAL H H 20 9.428 9.428 8.948 0.480 19860 3189 1 8 . 1 1 21 21 ARG N N 21 125.804 125.804 128.991 -3.187 19860 3190 1 8 . 1 1 21 21 ARG HA H 21 4.716 4.716 4.751 -0.035 19860 3191 1 8 . 1 1 21 21 ARG C C 21 174.905 174.905 175.451 -0.546 19860 3192 1 8 . 1 1 21 21 ARG CA C 21 54.864 54.864 54.681 0.183 19860 3193 1 8 . 1 1 21 21 ARG CB C 21 32.881 32.881 30.399 2.482 19860 3194 1 8 . 1 1 21 21 ARG H H 21 9.084 9.084 8.628 0.456 19860 3195 1 8 . 1 1 22 22 ILE N N 22 124.167 124.167 127.205 -3.038 19860 3196 1 8 . 1 1 22 22 ILE HA H 22 4.624 4.624 4.075 0.549 19860 3197 1 8 . 1 1 22 22 ILE C C 22 175.887 175.887 174.882 1.005 19860 3198 1 8 . 1 1 22 22 ILE CA C 22 59.717 59.717 59.140 0.577 19860 3199 1 8 . 1 1 22 22 ILE CB C 22 38.699 38.699 36.338 2.361 19860 3200 1 8 . 1 1 22 22 ILE H H 22 8.554 8.554 8.933 -0.379 19860 3201 1 8 . 1 1 23 23 LEU N N 23 128.981 128.981 130.162 -1.181 19860 3202 1 8 . 1 1 23 23 LEU HA H 23 4.663 4.663 4.509 0.154 19860 3203 1 8 . 1 1 23 23 LEU C C 23 176.174 176.174 175.984 0.190 19860 3204 1 8 . 1 1 23 23 LEU CA C 23 53.897 53.897 54.247 -0.350 19860 3205 1 8 . 1 1 23 23 LEU CB C 23 43.556 43.556 41.372 2.184 19860 3206 1 8 . 1 1 23 23 LEU H H 23 8.835 8.835 9.142 -0.307 19860 3207 1 8 . 1 1 24 24 LYS N N 24 122.797 122.797 125.494 -2.697 19860 3208 1 8 . 1 1 24 24 LYS HA H 24 4.568 4.568 5.348 -0.780 19860 3209 1 8 . 1 1 24 24 LYS C C 24 176.407 176.407 175.724 0.683 19860 3210 1 8 . 1 1 24 24 LYS CA C 24 55.808 55.808 54.784 1.024 19860 3211 1 8 . 1 1 24 24 LYS CB C 24 34.082 34.082 33.813 0.269 19860 3212 1 8 . 1 1 24 24 LYS H H 24 8.566 8.566 9.147 -0.581 19860 3213 1 8 . 1 1 25 25 SER N N 25 118.453 118.453 119.665 -1.212 19860 3214 1 8 . 1 1 25 25 SER HA H 25 4.477 4.477 4.883 -0.406 19860 3215 1 8 . 1 1 25 25 SER C C 25 175.038 175.038 174.898 0.140 19860 3216 1 8 . 1 1 25 25 SER CA C 25 58.146 58.146 56.041 2.105 19860 3217 1 8 . 1 1 25 25 SER CB C 25 63.977 63.977 64.168 -0.191 19860 3218 1 8 . 1 1 25 25 SER H H 25 8.668 8.668 8.952 -0.284 19860 3219 1 8 . 1 1 26 26 ARG N N 26 123.008 123.008 128.970 -5.962 19860 3220 1 8 . 1 1 26 26 ARG HA H 26 4.284 4.284 4.475 -0.191 19860 3221 1 8 . 1 1 26 26 ARG C C 26 176.640 176.640 176.976 -0.336 19860 3222 1 8 . 1 1 26 26 ARG CA C 26 57.171 57.171 57.434 -0.262 19860 3223 1 8 . 1 1 26 26 ARG CB C 26 30.748 30.748 30.100 0.648 19860 3224 1 8 . 1 1 26 26 ARG H H 26 8.667 8.667 8.839 -0.172 19860 3225 1 8 . 1 1 27 27 ASP N N 27 118.281 118.281 120.157 -1.876 19860 3226 1 8 . 1 1 27 27 ASP HA H 27 4.598 4.598 4.340 0.258 19860 3227 1 8 . 1 1 27 27 ASP C C 27 176.028 176.028 177.028 -1.000 19860 3228 1 8 . 1 1 27 27 ASP CA C 27 54.657 54.657 57.230 -2.573 19860 3229 1 8 . 1 1 27 27 ASP CB C 27 41.416 41.416 40.615 0.801 19860 3230 1 8 . 1 1 27 27 ASP H H 27 8.246 8.246 7.916 0.330 19860 3231 1 8 . 1 1 28 28 ASP N N 28 118.646 118.646 116.430 2.216 19860 3232 1 8 . 1 1 28 28 ASP HA H 28 4.563 4.563 4.576 -0.013 19860 3233 1 8 . 1 1 28 28 ASP C C 28 176.165 176.165 176.667 -0.502 19860 3234 1 8 . 1 1 28 28 ASP CA C 28 54.822 54.822 55.449 -0.627 19860 3235 1 8 . 1 1 28 28 ASP CB C 28 41.150 41.150 41.873 -0.723 19860 3236 1 8 . 1 1 28 28 ASP H H 28 8.034 8.034 8.155 -0.121 19860 3237 1 8 . 1 1 29 29 ASN N N 29 117.519 117.519 114.610 2.909 19860 3238 1 8 . 1 1 29 29 ASN HA H 29 4.734 4.734 4.790 -0.056 19860 3239 1 8 . 1 1 29 29 ASN C C 29 175.116 175.116 173.888 1.228 19860 3240 1 8 . 1 1 29 29 ASN CA C 29 53.951 53.951 53.971 -0.020 19860 3241 1 8 . 1 1 29 29 ASN CB C 29 38.779 38.779 40.072 -1.293 19860 3242 1 8 . 1 1 29 29 ASN H H 29 8.473 8.473 8.000 0.473 19860 3243 1 8 . 1 1 30 30 SER N N 30 114.910 114.910 116.337 -1.427 19860 3244 1 8 . 1 1 30 30 SER HA H 30 4.493 4.493 4.803 -0.310 19860 3245 1 8 . 1 1 30 30 SER C C 30 174.235 174.235 172.846 1.389 19860 3246 1 8 . 1 1 30 30 SER CA C 30 58.669 58.669 58.593 0.076 19860 3247 1 8 . 1 1 30 30 SER CB C 30 64.403 64.403 63.810 0.593 19860 3248 1 8 . 1 1 30 30 SER H H 30 8.206 8.206 8.323 -0.117 19860 3249 1 8 . 1 1 31 31 VAL N N 31 121.640 121.640 125.122 -3.482 19860 3250 1 8 . 1 1 31 31 VAL HA H 31 4.090 4.090 4.113 -0.023 19860 3251 1 8 . 1 1 31 31 VAL C C 31 175.873 175.873 174.457 1.416 19860 3252 1 8 . 1 1 31 31 VAL CA C 31 62.939 62.939 62.192 0.747 19860 3253 1 8 . 1 1 31 31 VAL CB C 31 32.878 32.878 32.374 0.504 19860 3254 1 8 . 1 1 31 31 VAL H H 31 8.242 8.242 8.825 -0.583 19860 3255 1 8 . 1 1 32 32 GLU N N 32 125.144 125.144 128.998 -3.854 19860 3256 1 8 . 1 1 32 32 GLU HA H 32 4.417 4.417 4.683 -0.266 19860 3257 1 8 . 1 1 32 32 GLU C C 32 175.532 175.532 175.281 0.251 19860 3258 1 8 . 1 1 32 32 GLU CA C 32 56.886 56.886 55.243 1.643 19860 3259 1 8 . 1 1 32 32 GLU CB C 32 31.059 31.059 29.704 1.355 19860 3260 1 8 . 1 1 32 32 GLU H H 32 8.679 8.679 8.752 -0.073 19860 3261 1 8 . 1 1 33 33 LYS N N 33 120.222 120.222 125.723 -5.501 19860 3262 1 8 . 1 1 33 33 LYS HA H 33 4.574 4.574 4.548 0.026 19860 3263 1 8 . 1 1 33 33 LYS C C 33 174.194 174.194 175.057 -0.863 19860 3264 1 8 . 1 1 33 33 LYS CA C 33 55.324 55.324 53.969 1.355 19860 3265 1 8 . 1 1 33 33 LYS CB C 33 35.258 35.258 33.845 1.413 19860 3266 1 8 . 1 1 33 33 LYS H H 33 8.229 8.229 8.778 -0.549 19860 3267 1 8 . 1 1 34 34 TYR N N 34 121.014 121.014 124.259 -3.245 19860 3268 1 8 . 1 1 34 34 TYR HA H 34 4.910 4.910 4.443 0.467 19860 3269 1 8 . 1 1 34 34 TYR C C 34 175.667 175.667 176.659 -0.992 19860 3270 1 8 . 1 1 34 34 TYR CA C 34 56.984 56.984 58.694 -1.710 19860 3271 1 8 . 1 1 34 34 TYR CB C 34 40.036 40.036 38.834 1.202 19860 3272 1 8 . 1 1 34 34 TYR H H 34 8.552 8.552 8.587 -0.035 19860 3273 1 8 . 1 1 35 35 VAL N N 35 124.624 124.624 121.852 2.772 19860 3274 1 8 . 1 1 35 35 VAL HA H 35 4.301 4.301 3.902 0.399 19860 3275 1 8 . 1 1 35 35 VAL C C 35 175.490 175.490 177.010 -1.520 19860 3276 1 8 . 1 1 35 35 VAL CA C 35 61.869 61.869 63.037 -1.168 19860 3277 1 8 . 1 1 35 35 VAL CB C 35 33.510 33.510 32.934 0.576 19860 3278 1 8 . 1 1 35 35 VAL H H 35 9.337 9.337 8.251 1.086 19860 3279 1 8 . 1 1 36 36 LEU N N 36 127.814 127.814 122.101 5.713 19860 3280 1 8 . 1 1 36 36 LEU HA H 36 4.326 4.326 4.319 0.007 19860 3281 1 8 . 1 1 36 36 LEU C C 36 177.355 177.355 177.001 0.354 19860 3282 1 8 . 1 1 36 36 LEU CA C 36 56.612 56.612 55.327 1.285 19860 3283 1 8 . 1 1 36 36 LEU CB C 36 41.899 41.899 40.930 0.969 19860 3284 1 8 . 1 1 36 36 LEU H H 36 8.845 8.845 8.443 0.402 19860 3285 1 8 . 1 1 37 37 THR N N 37 112.016 112.016 112.584 -0.568 19860 3286 1 8 . 1 1 37 37 THR HA H 37 4.904 4.904 4.306 0.598 19860 3287 1 8 . 1 1 37 37 THR C C 37 173.228 173.228 174.423 -1.195 19860 3288 1 8 . 1 1 37 37 THR CA C 37 61.023 61.023 61.632 -0.609 19860 3289 1 8 . 1 1 37 37 THR CB C 37 70.829 70.829 69.876 0.953 19860 3290 1 8 . 1 1 37 37 THR H H 37 7.374 7.374 7.594 -0.220 19860 3291 1 8 . 1 1 38 38 SER N N 38 111.049 111.049 119.218 -8.169 19860 3292 1 8 . 1 1 38 38 SER HA H 38 4.635 4.635 4.644 -0.009 19860 3293 1 8 . 1 1 38 38 SER C C 38 174.606 174.606 173.304 1.302 19860 3294 1 8 . 1 1 38 38 SER CA C 38 57.957 57.957 56.738 1.219 19860 3295 1 8 . 1 1 38 38 SER CB C 38 63.849 63.849 63.589 0.260 19860 3296 1 8 . 1 1 38 38 SER H H 38 8.387 8.387 8.063 0.324 19860 3297 1 8 . 1 1 39 39 HIS N N 39 122.230 122.230 121.832 0.398 19860 3298 1 8 . 1 1 39 39 HIS HA H 39 4.768 4.768 4.214 0.554 19860 3299 1 8 . 1 1 39 39 HIS C C 39 173.143 173.143 174.791 -1.648 19860 3300 1 8 . 1 1 39 39 HIS CA C 39 56.328 56.328 58.102 -1.774 19860 3301 1 8 . 1 1 39 39 HIS CB C 39 29.938 29.938 30.572 -0.634 19860 3302 1 8 . 1 1 39 39 HIS H H 39 8.424 8.424 7.446 0.978 19860 3303 1 8 . 1 1 40 40 VAL N N 40 126.582 126.582 120.019 6.563 19860 3304 1 8 . 1 1 40 40 VAL HA H 40 4.915 4.915 4.858 0.057 19860 3305 1 8 . 1 1 40 40 VAL C C 40 175.763 175.763 175.474 0.289 19860 3306 1 8 . 1 1 40 40 VAL CA C 40 60.612 60.612 59.867 0.744 19860 3307 1 8 . 1 1 40 40 VAL CB C 40 34.085 34.085 34.373 -0.288 19860 3308 1 8 . 1 1 40 40 VAL H H 40 8.364 8.364 8.338 0.026 19860 3309 1 8 . 1 1 41 41 SER N N 41 121.067 121.067 118.695 2.372 19860 3310 1 8 . 1 1 41 41 SER HA H 41 4.947 4.947 4.912 0.035 19860 3311 1 8 . 1 1 41 41 SER C C 41 174.505 174.505 174.756 -0.251 19860 3312 1 8 . 1 1 41 41 SER CA C 41 57.001 57.001 56.979 0.022 19860 3313 1 8 . 1 1 41 41 SER CB C 41 65.504 65.504 65.441 0.063 19860 3314 1 8 . 1 1 41 41 SER H H 41 9.297 9.297 9.071 0.226 19860 3315 1 8 . 1 1 42 42 LYS N N 42 123.812 123.812 123.155 0.657 19860 3316 1 8 . 1 1 42 42 LYS HA H 42 4.905 4.905 4.356 0.549 19860 3317 1 8 . 1 1 42 42 LYS C C 42 175.037 175.037 175.174 -0.137 19860 3318 1 8 . 1 1 42 42 LYS CA C 42 56.600 56.600 56.731 -0.131 19860 3319 1 8 . 1 1 42 42 LYS CB C 42 32.827 32.827 32.421 0.406 19860 3320 1 8 . 1 1 42 42 LYS H H 42 8.962 8.962 8.672 0.290 19860 3321 1 8 . 1 1 43 43 ASN N N 43 115.779 115.779 118.005 -2.226 19860 3322 1 8 . 1 1 43 43 ASN HA H 43 4.906 4.906 4.826 0.080 19860 3323 1 8 . 1 1 43 43 ASN C C 43 173.479 173.479 174.694 -1.215 19860 3324 1 8 . 1 1 43 43 ASN CA C 43 51.840 51.840 52.432 -0.592 19860 3325 1 8 . 1 1 43 43 ASN CB C 43 40.763 40.763 41.076 -0.313 19860 3326 1 8 . 1 1 43 43 ASN H H 43 8.053 8.053 7.850 0.203 19860 3327 1 8 . 1 1 44 44 ARG N N 44 124.471 124.471 122.399 2.072 19860 3328 1 8 . 1 1 44 44 ARG HA H 44 3.217 3.217 4.344 -1.127 19860 3329 1 8 . 1 1 44 44 ARG C C 44 173.869 173.869 174.337 -0.468 19860 3330 1 8 . 1 1 44 44 ARG CA C 44 54.034 54.034 54.820 -0.786 19860 3331 1 8 . 1 1 44 44 ARG CB C 44 29.917 29.917 29.578 0.339 19860 3332 1 8 . 1 1 44 44 ARG H H 44 8.565 8.565 8.456 0.109 19860 3333 1 8 . 1 1 45 45 PRO HA H 45 4.123 4.123 4.235 -0.112 19860 3334 1 8 . 1 1 45 45 PRO C C 45 176.434 176.434 176.441 -0.007 19860 3335 1 8 . 1 1 45 45 PRO CA C 45 62.292 62.292 62.155 0.137 19860 3336 1 8 . 1 1 45 45 PRO CB C 45 32.110 32.110 32.209 -0.099 19860 3337 1 8 . 1 1 46 46 LYS N N 46 122.529 122.529 120.859 1.670 19860 3338 1 8 . 1 1 46 46 LYS HA H 46 4.110 4.110 4.107 0.003 19860 3339 1 8 . 1 1 46 46 LYS C C 46 176.931 176.931 176.648 0.283 19860 3340 1 8 . 1 1 46 46 LYS CA C 46 57.000 57.000 57.117 -0.117 19860 3341 1 8 . 1 1 46 46 LYS CB C 46 33.095 33.095 32.833 0.262 19860 3342 1 8 . 1 1 46 46 LYS H H 46 8.470 8.470 8.366 0.104 19860 3343 1 8 . 1 1 47 47 ASN N N 47 117.122 117.122 119.153 -2.031 19860 3344 1 8 . 1 1 47 47 ASN HA H 47 4.589 4.589 4.835 -0.246 19860 3345 1 8 . 1 1 47 47 ASN C C 47 174.011 174.011 173.603 0.408 19860 3346 1 8 . 1 1 47 47 ASN CA C 47 53.493 53.493 52.613 0.880 19860 3347 1 8 . 1 1 47 47 ASN CB C 47 37.868 37.868 38.269 -0.401 19860 3348 1 8 . 1 1 47 47 ASN H H 47 8.745 8.745 8.124 0.621 19860 3349 1 8 . 1 1 48 48 ALA N N 48 119.908 119.908 125.700 -5.792 19860 3350 1 8 . 1 1 48 48 ALA HA H 48 4.609 4.609 4.593 0.016 19860 3351 1 8 . 1 1 48 48 ALA C C 48 176.506 176.506 175.524 0.982 19860 3352 1 8 . 1 1 48 48 ALA CA C 48 51.136 51.136 51.611 -0.475 19860 3353 1 8 . 1 1 48 48 ALA CB C 48 22.389 22.389 21.008 1.381 19860 3354 1 8 . 1 1 48 48 ALA H H 48 7.394 7.394 8.165 -0.771 19860 3355 1 8 . 1 1 49 49 ILE N N 49 123.192 123.192 122.827 0.365 19860 3356 1 8 . 1 1 49 49 ILE HA H 49 4.140 4.140 4.383 -0.243 19860 3357 1 8 . 1 1 49 49 ILE C C 49 174.731 174.731 175.303 -0.572 19860 3358 1 8 . 1 1 49 49 ILE CA C 49 61.597 61.597 60.211 1.386 19860 3359 1 8 . 1 1 49 49 ILE CB C 49 38.166 38.166 37.353 0.813 19860 3360 1 8 . 1 1 49 49 ILE H H 49 8.878 8.878 8.722 0.156 19860 3361 1 8 . 1 1 50 50 VAL N N 50 127.552 127.552 124.784 2.768 19860 3362 1 8 . 1 1 50 50 VAL HA H 50 5.289 5.289 5.464 -0.175 19860 3363 1 8 . 1 1 50 50 VAL C C 50 176.411 176.411 175.525 0.886 19860 3364 1 8 . 1 1 50 50 VAL CA C 50 60.499 60.499 60.247 0.252 19860 3365 1 8 . 1 1 50 50 VAL CB C 50 33.890 33.890 33.036 0.854 19860 3366 1 8 . 1 1 50 50 VAL H H 50 8.371 8.371 8.324 0.047 19860 3367 1 8 . 1 1 51 51 ILE N N 51 126.906 126.906 128.131 -1.225 19860 3368 1 8 . 1 1 51 51 ILE HA H 51 4.691 4.691 4.427 0.264 19860 3369 1 8 . 1 1 51 51 ILE C C 51 175.322 175.322 175.290 0.032 19860 3370 1 8 . 1 1 51 51 ILE CA C 51 59.439 59.439 60.295 -0.856 19860 3371 1 8 . 1 1 51 51 ILE CB C 51 41.189 41.189 40.372 0.817 19860 3372 1 8 . 1 1 51 51 ILE H H 51 9.314 9.314 9.201 0.113 19860 3373 1 8 . 1 1 52 52 LYS N N 52 123.523 123.523 127.236 -3.713 19860 3374 1 8 . 1 1 52 52 LYS HA H 52 4.686 4.686 4.380 0.306 19860 3375 1 8 . 1 1 52 52 LYS C C 52 178.237 178.237 177.869 0.368 19860 3376 1 8 . 1 1 52 52 LYS CA C 52 56.120 56.120 56.559 -0.439 19860 3377 1 8 . 1 1 52 52 LYS CB C 52 33.392 33.392 33.389 0.003 19860 3378 1 8 . 1 1 52 52 LYS H H 52 8.737 8.737 8.812 -0.075 19860 3379 1 8 . 1 1 53 53 MET N N 53 119.701 119.701 124.444 -4.743 19860 3380 1 8 . 1 1 53 53 MET HA H 53 3.908 3.908 4.069 -0.161 19860 3381 1 8 . 1 1 53 53 MET C C 53 177.401 177.401 178.242 -0.841 19860 3382 1 8 . 1 1 53 53 MET CA C 53 58.725 58.725 59.818 -1.093 19860 3383 1 8 . 1 1 53 53 MET CB C 53 33.383 33.383 32.285 1.099 19860 3384 1 8 . 1 1 53 53 MET H H 53 8.799 8.799 8.609 0.190 19860 3385 1 8 . 1 1 54 54 ASP N N 54 113.357 113.357 117.644 -4.287 19860 3386 1 8 . 1 1 54 54 ASP HA H 54 4.288 4.288 4.351 -0.063 19860 3387 1 8 . 1 1 54 54 ASP C C 54 176.649 176.649 176.862 -0.213 19860 3388 1 8 . 1 1 54 54 ASP CA C 54 56.682 56.682 56.434 0.248 19860 3389 1 8 . 1 1 54 54 ASP CB C 54 40.670 40.670 40.823 -0.153 19860 3390 1 8 . 1 1 54 54 ASP H H 54 8.262 8.262 8.462 -0.200 19860 3391 1 8 . 1 1 55 55 ASN N N 55 114.935 114.935 116.086 -1.151 19860 3392 1 8 . 1 1 55 55 ASN HA H 55 5.001 5.001 4.706 0.295 19860 3393 1 8 . 1 1 55 55 ASN C C 55 175.032 175.032 175.296 -0.264 19860 3394 1 8 . 1 1 55 55 ASN CA C 55 52.897 52.897 53.381 -0.484 19860 3395 1 8 . 1 1 55 55 ASN CB C 55 39.184 39.184 39.315 -0.131 19860 3396 1 8 . 1 1 55 55 ASN H H 55 7.971 7.971 7.807 0.164 19860 3397 1 8 . 1 1 56 56 LEU N N 56 120.385 120.385 122.525 -2.140 19860 3398 1 8 . 1 1 56 56 LEU HA H 56 4.488 4.488 4.548 -0.060 19860 3399 1 8 . 1 1 56 56 LEU C C 56 174.131 174.131 174.636 -0.505 19860 3400 1 8 . 1 1 56 56 LEU CA C 56 52.912 52.912 51.687 1.225 19860 3401 1 8 . 1 1 56 56 LEU CB C 56 41.958 41.958 41.716 0.242 19860 3402 1 8 . 1 1 56 56 LEU H H 56 7.331 7.331 7.486 -0.155 19860 3403 1 8 . 1 1 57 57 PRO HA H 57 4.617 4.617 4.604 0.013 19860 3404 1 8 . 1 1 57 57 PRO C C 57 178.627 178.627 177.693 0.934 19860 3405 1 8 . 1 1 57 57 PRO CA C 57 62.751 62.751 62.284 0.467 19860 3406 1 8 . 1 1 57 57 PRO CB C 57 32.718 32.718 32.596 0.122 19860 3407 1 8 . 1 1 58 58 ILE N N 58 125.295 125.295 119.520 5.775 19860 3408 1 8 . 1 1 58 58 ILE HA H 58 3.783 3.783 3.804 -0.021 19860 3409 1 8 . 1 1 58 58 ILE C C 58 176.776 176.776 177.822 -1.046 19860 3410 1 8 . 1 1 58 58 ILE CA C 58 64.583 64.583 64.102 0.481 19860 3411 1 8 . 1 1 58 58 ILE CB C 58 37.959 37.959 37.589 0.370 19860 3412 1 8 . 1 1 58 58 ILE H H 58 8.882 8.882 8.381 0.501 19860 3413 1 8 . 1 1 59 59 GLU N N 59 118.869 118.869 120.069 -1.200 19860 3414 1 8 . 1 1 59 59 GLU HA H 59 4.254 4.254 3.962 0.292 19860 3415 1 8 . 1 1 59 59 GLU C C 59 179.370 179.370 178.408 0.962 19860 3416 1 8 . 1 1 59 59 GLU CA C 59 59.757 59.757 60.059 -0.302 19860 3417 1 8 . 1 1 59 59 GLU CB C 59 29.053 29.053 29.467 -0.414 19860 3418 1 8 . 1 1 59 59 GLU H H 59 9.348 9.348 8.735 0.613 19860 3419 1 8 . 1 1 60 60 VAL N N 60 118.990 118.990 119.207 -0.217 19860 3420 1 8 . 1 1 60 60 VAL HA H 60 3.772 3.772 3.626 0.146 19860 3421 1 8 . 1 1 60 60 VAL C C 60 177.451 177.451 178.198 -0.747 19860 3422 1 8 . 1 1 60 60 VAL CA C 60 65.331 65.331 66.389 -1.058 19860 3423 1 8 . 1 1 60 60 VAL CB C 60 31.869 31.869 31.573 0.296 19860 3424 1 8 . 1 1 60 60 VAL H H 60 7.290 7.290 7.524 -0.234 19860 3425 1 8 . 1 1 61 61 LYS N N 61 120.824 120.824 119.918 0.906 19860 3426 1 8 . 1 1 61 61 LYS HA H 61 3.782 3.782 3.839 -0.057 19860 3427 1 8 . 1 1 61 61 LYS C C 61 179.444 179.444 178.860 0.584 19860 3428 1 8 . 1 1 61 61 LYS CA C 61 61.060 61.060 60.095 0.965 19860 3429 1 8 . 1 1 61 61 LYS CB C 61 32.196 32.196 31.953 0.243 19860 3430 1 8 . 1 1 61 61 LYS H H 61 8.043 8.043 7.696 0.347 19860 3431 1 8 . 1 1 62 62 ASP N N 62 119.231 119.231 120.029 -0.798 19860 3432 1 8 . 1 1 62 62 ASP HA H 62 4.427 4.427 4.258 0.169 19860 3433 1 8 . 1 1 62 62 ASP C C 62 178.420 178.420 178.114 0.306 19860 3434 1 8 . 1 1 62 62 ASP CA C 62 57.851 57.851 57.372 0.479 19860 3435 1 8 . 1 1 62 62 ASP CB C 62 40.780 40.780 40.819 -0.039 19860 3436 1 8 . 1 1 62 62 ASP H H 62 8.766 8.766 8.446 0.320 19860 3437 1 8 . 1 1 63 63 LYS N N 63 119.623 119.623 119.807 -0.184 19860 3438 1 8 . 1 1 63 63 LYS HA H 63 4.025 4.025 3.978 0.047 19860 3439 1 8 . 1 1 63 63 LYS C C 63 178.866 178.866 179.277 -0.411 19860 3440 1 8 . 1 1 63 63 LYS CA C 63 59.667 59.667 59.452 0.215 19860 3441 1 8 . 1 1 63 63 LYS CB C 63 32.929 32.929 32.517 0.412 19860 3442 1 8 . 1 1 63 63 LYS H H 63 7.391 7.391 7.616 -0.225 19860 3443 1 8 . 1 1 64 64 LEU N N 64 118.806 118.806 119.434 -0.628 19860 3444 1 8 . 1 1 64 64 LEU HA H 64 4.216 4.216 3.841 0.375 19860 3445 1 8 . 1 1 64 64 LEU C C 64 178.793 178.793 178.370 0.423 19860 3446 1 8 . 1 1 64 64 LEU CA C 64 58.011 58.011 57.831 0.180 19860 3447 1 8 . 1 1 64 64 LEU CB C 64 42.251 42.251 41.236 1.015 19860 3448 1 8 . 1 1 64 64 LEU H H 64 8.357 8.357 8.591 -0.234 19860 3449 1 8 . 1 1 65 65 THR N N 65 115.102 115.102 115.059 0.043 19860 3450 1 8 . 1 1 65 65 THR HA H 65 3.920 3.920 3.724 0.196 19860 3451 1 8 . 1 1 65 65 THR C C 65 176.410 176.410 176.814 -0.404 19860 3452 1 8 . 1 1 65 65 THR CA C 65 66.705 66.705 66.318 0.387 19860 3453 1 8 . 1 1 65 65 THR CB C 65 68.876 68.876 67.985 0.891 19860 3454 1 8 . 1 1 65 65 THR H H 65 8.343 8.343 8.030 0.313 19860 3455 1 8 . 1 1 66 66 ARG N N 66 119.405 119.405 119.875 -0.470 19860 3456 1 8 . 1 1 66 66 ARG HA H 66 4.067 4.067 4.020 0.047 19860 3457 1 8 . 1 1 66 66 ARG C C 66 177.988 177.988 177.608 0.380 19860 3458 1 8 . 1 1 66 66 ARG CA C 66 58.961 58.961 58.635 0.326 19860 3459 1 8 . 1 1 66 66 ARG CB C 66 30.302 30.302 29.980 0.322 19860 3460 1 8 . 1 1 66 66 ARG H H 66 7.832 7.832 7.918 -0.086 19860 3461 1 8 . 1 1 67 67 PHE N N 67 117.304 117.304 119.194 -1.890 19860 3462 1 8 . 1 1 67 67 PHE HA H 67 4.323 4.323 4.355 -0.032 19860 3463 1 8 . 1 1 67 67 PHE C C 67 177.141 177.141 176.102 1.039 19860 3464 1 8 . 1 1 67 67 PHE CA C 67 59.989 59.989 60.574 -0.585 19860 3465 1 8 . 1 1 67 67 PHE CB C 67 39.269 39.269 40.308 -1.039 19860 3466 1 8 . 1 1 67 67 PHE H H 67 8.190 8.190 7.604 0.586 19860 3467 1 8 . 1 1 68 68 PHE N N 68 114.297 114.297 113.538 0.759 19860 3468 1 8 . 1 1 68 68 PHE HA H 68 4.696 4.696 4.771 -0.075 19860 3469 1 8 . 1 1 68 68 PHE C C 68 175.969 175.969 175.938 0.031 19860 3470 1 8 . 1 1 68 68 PHE CA C 68 59.112 59.112 58.291 0.821 19860 3471 1 8 . 1 1 68 68 PHE CB C 68 40.100 40.100 39.484 0.616 19860 3472 1 8 . 1 1 68 68 PHE H H 68 8.087 8.087 7.812 0.275 19860 3473 1 8 . 1 1 69 69 LEU N N 69 119.594 119.594 120.363 -0.769 19860 3474 1 8 . 1 1 69 69 LEU HA H 69 4.476 4.476 4.336 0.140 19860 3475 1 8 . 1 1 69 69 LEU C C 69 177.425 177.425 176.683 0.742 19860 3476 1 8 . 1 1 69 69 LEU CA C 69 55.805 55.805 55.678 0.127 19860 3477 1 8 . 1 1 69 69 LEU CB C 69 41.399 41.399 43.139 -1.740 19860 3478 1 8 . 1 1 69 69 LEU H H 69 7.823 7.823 7.064 0.759 19860 3479 1 8 . 1 1 70 70 LEU N N 70 119.723 119.723 115.243 4.480 19860 3480 1 8 . 1 1 70 70 LEU HA H 70 4.341 4.341 3.845 0.496 19860 3481 1 8 . 1 1 70 70 LEU C C 70 177.443 177.443 176.149 1.294 19860 3482 1 8 . 1 1 70 70 LEU CA C 70 55.288 55.288 55.139 0.149 19860 3483 1 8 . 1 1 70 70 LEU CB C 70 42.205 42.205 39.583 2.622 19860 3484 1 8 . 1 1 70 70 LEU H H 70 7.905 7.905 7.473 0.432 19860 3485 1 8 . 1 1 71 71 GLU N N 71 120.533 120.533 118.919 1.614 19860 3486 1 8 . 1 1 71 71 GLU HA H 71 4.200 4.200 4.500 -0.300 19860 3487 1 8 . 1 1 71 71 GLU C C 71 176.250 176.250 177.940 -1.690 19860 3488 1 8 . 1 1 71 71 GLU CA C 71 56.609 56.609 55.642 0.966 19860 3489 1 8 . 1 1 71 71 GLU CB C 71 30.475 30.475 30.788 -0.313 19860 3490 1 8 . 1 1 71 71 GLU H H 71 8.244 8.244 8.009 0.235 19860 3491 1 8 . 1 1 72 72 HIS N N 72 119.783 119.783 121.081 -1.298 19860 3492 1 8 . 1 1 72 72 HIS HA H 72 4.623 4.623 4.599 0.024 19860 3493 1 8 . 1 1 72 72 HIS C C 72 174.645 174.645 176.348 -1.703 19860 3494 1 8 . 1 1 72 72 HIS CA C 72 55.737 55.737 58.556 -2.819 19860 3495 1 8 . 1 1 72 72 HIS CB C 72 29.901 29.901 30.299 -0.398 19860 3496 1 8 . 1 1 72 72 HIS H H 72 8.403 8.403 9.102 -0.699 19860 3497 1 8 . 1 1 73 73 HIS N N 73 120.199 120.199 116.662 3.537 19860 3498 1 8 . 1 1 73 73 HIS HA H 73 4.625 4.625 4.341 0.284 19860 3499 1 8 . 1 1 73 73 HIS C C 73 174.552 174.552 175.458 -0.906 19860 3500 1 8 . 1 1 73 73 HIS CA C 73 55.754 55.754 59.000 -3.246 19860 3501 1 8 . 1 1 73 73 HIS CB C 73 29.976 29.976 30.295 -0.319 19860 3502 1 8 . 1 1 73 73 HIS H H 73 8.539 8.539 8.307 0.232 19860 3503 1 8 . 1 1 74 74 HIS N N 74 120.457 120.457 118.226 2.231 19860 3504 1 8 . 1 1 74 74 HIS HA H 74 4.655 4.655 4.520 0.135 19860 3505 1 8 . 1 1 74 74 HIS C C 74 174.638 174.638 176.910 -2.272 19860 3506 1 8 . 1 1 74 74 HIS CA C 74 55.771 55.771 58.894 -3.123 19860 3507 1 8 . 1 1 74 74 HIS CB C 74 29.916 29.916 31.415 -1.498 19860 3508 1 8 . 1 1 74 74 HIS H H 74 8.681 8.681 7.760 0.921 19860 3509 1 8 . 1 1 75 75 HIS N N 75 120.782 120.782 118.092 2.690 19860 3510 1 8 . 1 1 75 75 HIS HA H 75 4.671 4.671 4.366 0.305 19860 3511 1 8 . 1 1 75 75 HIS C C 75 174.525 174.525 176.119 -1.594 19860 3512 1 8 . 1 1 75 75 HIS CA C 75 55.758 55.758 56.725 -0.967 19860 3513 1 8 . 1 1 75 75 HIS CB C 75 29.934 29.934 29.099 0.835 19860 3514 1 8 . 1 1 75 75 HIS H H 75 8.755 8.755 8.087 0.668 19860 3515 1 8 . 1 1 76 76 HIS N N 76 120.737 120.737 117.864 2.873 19860 3516 1 8 . 1 1 76 76 HIS HA H 76 4.666 4.666 4.394 0.272 19860 3517 1 8 . 1 1 76 76 HIS C C 76 173.873 173.873 174.544 -0.671 19860 3518 1 8 . 1 1 76 76 HIS CA C 76 55.921 55.921 57.045 -1.124 19860 3519 1 8 . 1 1 76 76 HIS CB C 76 29.848 29.848 30.441 -0.593 19860 3520 1 8 . 1 1 76 76 HIS H H 76 8.693 8.693 8.545 0.148 19860 3521 1 9 . 1 1 2 2 LEU HA H 2 4.435 4.435 4.878 -0.443 19860 3522 1 9 . 1 1 2 2 LEU C C 2 176.773 176.773 176.050 0.723 19860 3523 1 9 . 1 1 2 2 LEU CA C 2 55.299 55.299 54.459 0.840 19860 3524 1 9 . 1 1 2 2 LEU CB C 2 42.529 42.529 43.583 -1.054 19860 3525 1 9 . 1 1 3 3 LYS N N 3 123.220 123.220 119.597 3.623 19860 3526 1 9 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.522 -0.197 19860 3527 1 9 . 1 1 3 3 LYS C C 3 176.224 176.224 175.749 0.475 19860 3528 1 9 . 1 1 3 3 LYS CA C 3 56.344 56.344 56.494 -0.150 19860 3529 1 9 . 1 1 3 3 LYS CB C 3 33.335 33.335 33.008 0.327 19860 3530 1 9 . 1 1 3 3 LYS H H 3 8.520 8.520 8.447 0.073 19860 3531 1 9 . 1 1 4 4 HIS N N 4 119.727 119.727 118.362 1.365 19860 3532 1 9 . 1 1 4 4 HIS HA H 4 4.721 4.721 4.668 0.053 19860 3533 1 9 . 1 1 4 4 HIS C C 4 175.318 175.318 173.735 1.583 19860 3534 1 9 . 1 1 4 4 HIS CA C 4 55.941 55.941 55.591 0.350 19860 3535 1 9 . 1 1 4 4 HIS CB C 4 30.636 30.636 31.146 -0.510 19860 3536 1 9 . 1 1 4 4 HIS H H 4 8.486 8.486 7.875 0.611 19860 3537 1 9 . 1 1 5 5 GLY N N 5 110.318 110.318 106.853 3.465 19860 3538 1 9 . 1 1 5 5 GLY C C 5 172.966 172.966 172.529 0.437 19860 3539 1 9 . 1 1 5 5 GLY CA C 5 45.146 45.146 45.115 0.031 19860 3540 1 9 . 1 1 5 5 GLY H H 5 8.602 8.602 7.556 1.046 19860 3541 1 9 . 1 1 6 6 LYS N N 6 120.808 120.808 121.474 -0.666 19860 3542 1 9 . 1 1 6 6 LYS HA H 6 4.438 4.438 4.754 -0.316 19860 3543 1 9 . 1 1 6 6 LYS C C 6 175.168 175.168 174.749 0.419 19860 3544 1 9 . 1 1 6 6 LYS CA C 6 56.179 56.179 53.364 2.815 19860 3545 1 9 . 1 1 6 6 LYS CB C 6 34.277 34.277 35.566 -1.289 19860 3546 1 9 . 1 1 6 6 LYS H H 6 8.275 8.275 8.211 0.064 19860 3547 1 9 . 1 1 7 7 TYR N N 7 118.666 118.666 118.735 -0.069 19860 3548 1 9 . 1 1 7 7 TYR HA H 7 5.513 5.513 5.186 0.327 19860 3549 1 9 . 1 1 7 7 TYR C C 7 176.004 176.004 176.206 -0.202 19860 3550 1 9 . 1 1 7 7 TYR CA C 7 56.971 56.971 57.298 -0.327 19860 3551 1 9 . 1 1 7 7 TYR CB C 7 41.032 41.032 39.223 1.809 19860 3552 1 9 . 1 1 7 7 TYR H H 7 8.351 8.351 8.517 -0.166 19860 3553 1 9 . 1 1 8 8 VAL N N 8 115.920 115.920 119.779 -3.859 19860 3554 1 9 . 1 1 8 8 VAL HA H 8 4.860 4.860 4.662 0.198 19860 3555 1 9 . 1 1 8 8 VAL C C 8 173.220 173.220 173.562 -0.342 19860 3556 1 9 . 1 1 8 8 VAL CA C 8 59.694 59.694 59.678 0.016 19860 3557 1 9 . 1 1 8 8 VAL CB C 8 35.246 35.246 34.585 0.661 19860 3558 1 9 . 1 1 8 8 VAL H H 8 9.057 9.057 8.940 0.117 19860 3559 1 9 . 1 1 9 9 TYR N N 9 118.786 118.786 118.168 0.618 19860 3560 1 9 . 1 1 9 9 TYR HA H 9 5.515 5.515 5.584 -0.069 19860 3561 1 9 . 1 1 9 9 TYR C C 9 175.072 175.072 175.809 -0.737 19860 3562 1 9 . 1 1 9 9 TYR CA C 9 56.576 56.576 56.030 0.546 19860 3563 1 9 . 1 1 9 9 TYR CB C 9 41.532 41.532 41.675 -0.143 19860 3564 1 9 . 1 1 9 9 TYR H H 9 9.117 9.117 8.736 0.381 19860 3565 1 9 . 1 1 10 10 ILE N N 10 121.376 121.376 123.005 -1.629 19860 3566 1 9 . 1 1 10 10 ILE HA H 10 4.887 4.887 4.682 0.205 19860 3567 1 9 . 1 1 10 10 ILE C C 10 176.044 176.044 176.140 -0.096 19860 3568 1 9 . 1 1 10 10 ILE CA C 10 58.948 58.948 58.349 0.600 19860 3569 1 9 . 1 1 10 10 ILE CB C 10 38.537 38.537 37.936 0.601 19860 3570 1 9 . 1 1 10 10 ILE H H 10 9.514 9.514 9.157 0.357 19860 3571 1 9 . 1 1 11 11 ASP N N 11 126.501 126.501 128.088 -1.587 19860 3572 1 9 . 1 1 11 11 ASP HA H 11 4.390 4.390 4.243 0.147 19860 3573 1 9 . 1 1 11 11 ASP C C 11 175.850 175.850 176.540 -0.690 19860 3574 1 9 . 1 1 11 11 ASP CA C 11 53.377 53.377 53.951 -0.574 19860 3575 1 9 . 1 1 11 11 ASP CB C 11 41.808 41.808 40.570 1.238 19860 3576 1 9 . 1 1 11 11 ASP H H 11 8.676 8.676 8.804 -0.128 19860 3577 1 9 . 1 1 12 12 LEU N N 12 127.505 127.505 125.359 2.146 19860 3578 1 9 . 1 1 12 12 LEU HA H 12 4.319 4.319 4.196 0.123 19860 3579 1 9 . 1 1 12 12 LEU C C 12 176.132 176.132 177.452 -1.320 19860 3580 1 9 . 1 1 12 12 LEU CA C 12 55.439 55.439 55.784 -0.345 19860 3581 1 9 . 1 1 12 12 LEU CB C 12 40.312 40.312 42.101 -1.789 19860 3582 1 9 . 1 1 12 12 LEU H H 12 7.692 7.692 7.589 0.103 19860 3583 1 9 . 1 1 13 13 ASN N N 13 114.351 114.351 113.795 0.556 19860 3584 1 9 . 1 1 13 13 ASN HA H 13 4.391 4.391 4.337 0.054 19860 3585 1 9 . 1 1 13 13 ASN C C 13 174.440 174.440 174.832 -0.392 19860 3586 1 9 . 1 1 13 13 ASN CA C 13 54.482 54.482 54.581 -0.099 19860 3587 1 9 . 1 1 13 13 ASN CB C 13 37.861 37.861 37.690 0.171 19860 3588 1 9 . 1 1 13 13 ASN H H 13 9.187 9.187 7.874 1.313 19860 3589 1 9 . 1 1 14 14 ASN N N 14 115.057 115.057 117.547 -2.490 19860 3590 1 9 . 1 1 14 14 ASN HA H 14 4.779 4.779 4.800 -0.021 19860 3591 1 9 . 1 1 14 14 ASN C C 14 176.213 176.213 175.953 0.260 19860 3592 1 9 . 1 1 14 14 ASN CA C 14 52.149 52.149 52.898 -0.749 19860 3593 1 9 . 1 1 14 14 ASN CB C 14 38.727 38.727 38.317 0.410 19860 3594 1 9 . 1 1 14 14 ASN H H 14 7.737 7.737 8.233 -0.496 19860 3595 1 9 . 1 1 15 15 GLY N N 15 110.453 110.453 107.700 2.753 19860 3596 1 9 . 1 1 15 15 GLY C C 15 172.968 172.968 173.239 -0.271 19860 3597 1 9 . 1 1 15 15 GLY CA C 15 45.136 45.136 45.093 0.044 19860 3598 1 9 . 1 1 15 15 GLY H H 15 8.744 8.744 8.388 0.356 19860 3599 1 9 . 1 1 16 16 LYS N N 16 116.557 116.557 118.093 -1.536 19860 3600 1 9 . 1 1 16 16 LYS HA H 16 4.992 4.992 4.799 0.193 19860 3601 1 9 . 1 1 16 16 LYS C C 16 175.214 175.214 174.030 1.184 19860 3602 1 9 . 1 1 16 16 LYS CA C 16 54.653 54.653 55.018 -0.365 19860 3603 1 9 . 1 1 16 16 LYS CB C 16 35.359 35.359 35.433 -0.074 19860 3604 1 9 . 1 1 16 16 LYS H H 16 7.559 7.559 7.346 0.213 19860 3605 1 9 . 1 1 17 17 TYR N N 17 117.020 117.020 117.216 -0.196 19860 3606 1 9 . 1 1 17 17 TYR HA H 17 5.551 5.551 5.016 0.535 19860 3607 1 9 . 1 1 17 17 TYR C C 17 175.491 175.491 174.495 0.996 19860 3608 1 9 . 1 1 17 17 TYR CA C 17 56.255 56.255 56.974 -0.719 19860 3609 1 9 . 1 1 17 17 TYR CB C 17 42.270 42.270 43.190 -0.920 19860 3610 1 9 . 1 1 17 17 TYR H H 17 8.577 8.577 9.009 -0.432 19860 3611 1 9 . 1 1 18 18 VAL N N 18 121.032 121.032 120.476 0.556 19860 3612 1 9 . 1 1 18 18 VAL HA H 18 5.027 5.027 4.522 0.505 19860 3613 1 9 . 1 1 18 18 VAL C C 18 174.046 174.046 173.998 0.048 19860 3614 1 9 . 1 1 18 18 VAL CA C 18 59.711 59.711 60.073 -0.362 19860 3615 1 9 . 1 1 18 18 VAL CB C 18 35.076 35.076 34.047 1.028 19860 3616 1 9 . 1 1 18 18 VAL H H 18 8.829 8.829 8.371 0.458 19860 3617 1 9 . 1 1 19 19 LYS N N 19 130.251 130.251 129.950 0.301 19860 3618 1 9 . 1 1 19 19 LYS HA H 19 4.055 4.055 4.777 -0.722 19860 3619 1 9 . 1 1 19 19 LYS C C 19 175.628 175.628 174.510 1.118 19860 3620 1 9 . 1 1 19 19 LYS CA C 19 56.975 56.975 55.291 1.684 19860 3621 1 9 . 1 1 19 19 LYS CB C 19 33.380 33.380 33.532 -0.152 19860 3622 1 9 . 1 1 19 19 LYS H H 19 8.388 8.388 8.795 -0.407 19860 3623 1 9 . 1 1 20 20 VAL N N 20 127.530 127.530 123.461 4.069 19860 3624 1 9 . 1 1 20 20 VAL HA H 20 4.946 4.946 4.460 0.486 19860 3625 1 9 . 1 1 20 20 VAL C C 20 173.581 173.581 173.750 -0.169 19860 3626 1 9 . 1 1 20 20 VAL CA C 20 60.483 60.483 58.921 1.562 19860 3627 1 9 . 1 1 20 20 VAL CB C 20 35.665 35.665 35.751 -0.086 19860 3628 1 9 . 1 1 20 20 VAL H H 20 9.428 9.428 8.795 0.633 19860 3629 1 9 . 1 1 21 21 ARG N N 21 125.804 125.804 128.002 -2.198 19860 3630 1 9 . 1 1 21 21 ARG HA H 21 4.716 4.716 4.684 0.032 19860 3631 1 9 . 1 1 21 21 ARG C C 21 174.905 174.905 175.354 -0.449 19860 3632 1 9 . 1 1 21 21 ARG CA C 21 54.864 54.864 55.157 -0.293 19860 3633 1 9 . 1 1 21 21 ARG CB C 21 32.881 32.881 30.517 2.364 19860 3634 1 9 . 1 1 21 21 ARG H H 21 9.084 9.084 8.611 0.473 19860 3635 1 9 . 1 1 22 22 ILE N N 22 124.167 124.167 127.057 -2.890 19860 3636 1 9 . 1 1 22 22 ILE HA H 22 4.624 4.624 4.210 0.414 19860 3637 1 9 . 1 1 22 22 ILE C C 22 175.887 175.887 174.646 1.241 19860 3638 1 9 . 1 1 22 22 ILE CA C 22 59.717 59.717 59.024 0.693 19860 3639 1 9 . 1 1 22 22 ILE CB C 22 38.699 38.699 36.838 1.861 19860 3640 1 9 . 1 1 22 22 ILE H H 22 8.554 8.554 8.922 -0.368 19860 3641 1 9 . 1 1 23 23 LEU N N 23 128.981 128.981 130.116 -1.135 19860 3642 1 9 . 1 1 23 23 LEU HA H 23 4.663 4.663 4.545 0.118 19860 3643 1 9 . 1 1 23 23 LEU C C 23 176.174 176.174 176.149 0.025 19860 3644 1 9 . 1 1 23 23 LEU CA C 23 53.897 53.897 53.587 0.310 19860 3645 1 9 . 1 1 23 23 LEU CB C 23 43.556 43.556 41.922 1.633 19860 3646 1 9 . 1 1 23 23 LEU H H 23 8.835 8.835 9.071 -0.236 19860 3647 1 9 . 1 1 24 24 LYS N N 24 122.797 122.797 126.106 -3.309 19860 3648 1 9 . 1 1 24 24 LYS HA H 24 4.568 4.568 4.236 0.332 19860 3649 1 9 . 1 1 24 24 LYS C C 24 176.407 176.407 175.833 0.574 19860 3650 1 9 . 1 1 24 24 LYS CA C 24 55.808 55.808 54.903 0.905 19860 3651 1 9 . 1 1 24 24 LYS CB C 24 34.082 34.082 32.116 1.966 19860 3652 1 9 . 1 1 24 24 LYS H H 24 8.566 8.566 7.794 0.772 19860 3653 1 9 . 1 1 25 25 SER N N 25 118.453 118.453 123.795 -5.342 19860 3654 1 9 . 1 1 25 25 SER HA H 25 4.477 4.477 4.991 -0.514 19860 3655 1 9 . 1 1 25 25 SER C C 25 175.038 175.038 174.544 0.494 19860 3656 1 9 . 1 1 25 25 SER CA C 25 58.146 58.146 57.449 0.697 19860 3657 1 9 . 1 1 25 25 SER CB C 25 63.977 63.977 62.952 1.025 19860 3658 1 9 . 1 1 25 25 SER H H 25 8.668 8.668 8.892 -0.224 19860 3659 1 9 . 1 1 26 26 ARG N N 26 123.008 123.008 124.971 -1.963 19860 3660 1 9 . 1 1 26 26 ARG HA H 26 4.284 4.284 4.341 -0.057 19860 3661 1 9 . 1 1 26 26 ARG C C 26 176.640 176.640 176.818 -0.178 19860 3662 1 9 . 1 1 26 26 ARG CA C 26 57.171 57.171 57.800 -0.629 19860 3663 1 9 . 1 1 26 26 ARG CB C 26 30.748 30.748 30.271 0.477 19860 3664 1 9 . 1 1 26 26 ARG H H 26 8.667 8.667 7.812 0.855 19860 3665 1 9 . 1 1 27 27 ASP N N 27 118.281 118.281 116.845 1.436 19860 3666 1 9 . 1 1 27 27 ASP HA H 27 4.598 4.598 4.439 0.159 19860 3667 1 9 . 1 1 27 27 ASP C C 27 176.028 176.028 176.552 -0.524 19860 3668 1 9 . 1 1 27 27 ASP CA C 27 54.657 54.657 56.081 -1.424 19860 3669 1 9 . 1 1 27 27 ASP CB C 27 41.416 41.416 39.901 1.515 19860 3670 1 9 . 1 1 27 27 ASP H H 27 8.246 8.246 8.340 -0.094 19860 3671 1 9 . 1 1 28 28 ASP N N 28 118.646 118.646 118.923 -0.277 19860 3672 1 9 . 1 1 28 28 ASP HA H 28 4.563 4.563 4.483 0.080 19860 3673 1 9 . 1 1 28 28 ASP C C 28 176.165 176.165 176.241 -0.076 19860 3674 1 9 . 1 1 28 28 ASP CA C 28 54.822 54.822 55.110 -0.288 19860 3675 1 9 . 1 1 28 28 ASP CB C 28 41.150 41.150 41.931 -0.781 19860 3676 1 9 . 1 1 28 28 ASP H H 28 8.034 8.034 7.899 0.135 19860 3677 1 9 . 1 1 29 29 ASN N N 29 117.519 117.519 115.022 2.497 19860 3678 1 9 . 1 1 29 29 ASN HA H 29 4.734 4.734 4.719 0.015 19860 3679 1 9 . 1 1 29 29 ASN C C 29 175.116 175.116 173.760 1.356 19860 3680 1 9 . 1 1 29 29 ASN CA C 29 53.951 53.951 54.329 -0.378 19860 3681 1 9 . 1 1 29 29 ASN CB C 29 38.779 38.779 39.865 -1.086 19860 3682 1 9 . 1 1 29 29 ASN H H 29 8.473 8.473 8.184 0.289 19860 3683 1 9 . 1 1 30 30 SER N N 30 114.910 114.910 114.902 0.008 19860 3684 1 9 . 1 1 30 30 SER HA H 30 4.493 4.493 4.532 -0.039 19860 3685 1 9 . 1 1 30 30 SER C C 30 174.235 174.235 172.624 1.611 19860 3686 1 9 . 1 1 30 30 SER CA C 30 58.669 58.669 58.159 0.510 19860 3687 1 9 . 1 1 30 30 SER CB C 30 64.403 64.403 63.552 0.851 19860 3688 1 9 . 1 1 30 30 SER H H 30 8.206 8.206 8.295 -0.089 19860 3689 1 9 . 1 1 31 31 VAL N N 31 121.640 121.640 122.585 -0.945 19860 3690 1 9 . 1 1 31 31 VAL HA H 31 4.090 4.090 4.068 0.022 19860 3691 1 9 . 1 1 31 31 VAL C C 31 175.873 175.873 175.003 0.870 19860 3692 1 9 . 1 1 31 31 VAL CA C 31 62.939 62.939 61.802 1.137 19860 3693 1 9 . 1 1 31 31 VAL CB C 31 32.878 32.878 33.174 -0.296 19860 3694 1 9 . 1 1 31 31 VAL H H 31 8.242 8.242 7.426 0.816 19860 3695 1 9 . 1 1 32 32 GLU N N 32 125.144 125.144 127.504 -2.360 19860 3696 1 9 . 1 1 32 32 GLU HA H 32 4.417 4.417 4.484 -0.067 19860 3697 1 9 . 1 1 32 32 GLU C C 32 175.532 175.532 175.550 -0.018 19860 3698 1 9 . 1 1 32 32 GLU CA C 32 56.886 56.886 55.793 1.093 19860 3699 1 9 . 1 1 32 32 GLU CB C 32 31.059 31.059 29.077 1.982 19860 3700 1 9 . 1 1 32 32 GLU H H 32 8.679 8.679 8.532 0.147 19860 3701 1 9 . 1 1 33 33 LYS N N 33 120.222 120.222 125.320 -5.098 19860 3702 1 9 . 1 1 33 33 LYS HA H 33 4.574 4.574 4.314 0.260 19860 3703 1 9 . 1 1 33 33 LYS C C 33 174.194 174.194 175.159 -0.965 19860 3704 1 9 . 1 1 33 33 LYS CA C 33 55.324 55.324 54.185 1.139 19860 3705 1 9 . 1 1 33 33 LYS CB C 33 35.258 35.258 33.630 1.628 19860 3706 1 9 . 1 1 33 33 LYS H H 33 8.229 8.229 8.576 -0.347 19860 3707 1 9 . 1 1 34 34 TYR N N 34 121.014 121.014 121.080 -0.066 19860 3708 1 9 . 1 1 34 34 TYR HA H 34 4.910 4.910 4.997 -0.087 19860 3709 1 9 . 1 1 34 34 TYR C C 34 175.667 175.667 176.862 -1.195 19860 3710 1 9 . 1 1 34 34 TYR CA C 34 56.984 56.984 57.349 -0.365 19860 3711 1 9 . 1 1 34 34 TYR CB C 34 40.036 40.036 39.802 0.234 19860 3712 1 9 . 1 1 34 34 TYR H H 34 8.552 8.552 8.338 0.214 19860 3713 1 9 . 1 1 35 35 VAL N N 35 124.624 124.624 122.103 2.521 19860 3714 1 9 . 1 1 35 35 VAL HA H 35 4.301 4.301 3.953 0.348 19860 3715 1 9 . 1 1 35 35 VAL C C 35 175.490 175.490 176.532 -1.042 19860 3716 1 9 . 1 1 35 35 VAL CA C 35 61.869 61.869 62.508 -0.639 19860 3717 1 9 . 1 1 35 35 VAL CB C 35 33.510 33.510 33.189 0.321 19860 3718 1 9 . 1 1 35 35 VAL H H 35 9.337 9.337 8.147 1.190 19860 3719 1 9 . 1 1 36 36 LEU N N 36 127.814 127.814 123.347 4.467 19860 3720 1 9 . 1 1 36 36 LEU HA H 36 4.326 4.326 4.422 -0.096 19860 3721 1 9 . 1 1 36 36 LEU C C 36 177.355 177.355 176.334 1.021 19860 3722 1 9 . 1 1 36 36 LEU CA C 36 56.612 56.612 55.310 1.302 19860 3723 1 9 . 1 1 36 36 LEU CB C 36 41.899 41.899 41.979 -0.080 19860 3724 1 9 . 1 1 36 36 LEU H H 36 8.845 8.845 8.389 0.456 19860 3725 1 9 . 1 1 37 37 THR N N 37 112.016 112.016 114.046 -2.030 19860 3726 1 9 . 1 1 37 37 THR HA H 37 4.904 4.904 4.121 0.783 19860 3727 1 9 . 1 1 37 37 THR C C 37 173.228 173.228 173.783 -0.555 19860 3728 1 9 . 1 1 37 37 THR CA C 37 61.023 61.023 62.556 -1.533 19860 3729 1 9 . 1 1 37 37 THR CB C 37 70.829 70.829 69.511 1.318 19860 3730 1 9 . 1 1 37 37 THR H H 37 7.374 7.374 7.658 -0.284 19860 3731 1 9 . 1 1 38 38 SER N N 38 111.049 111.049 116.895 -5.846 19860 3732 1 9 . 1 1 38 38 SER HA H 38 4.635 4.635 4.569 0.066 19860 3733 1 9 . 1 1 38 38 SER C C 38 174.606 174.606 173.480 1.126 19860 3734 1 9 . 1 1 38 38 SER CA C 38 57.957 57.957 57.136 0.821 19860 3735 1 9 . 1 1 38 38 SER CB C 38 63.849 63.849 64.046 -0.198 19860 3736 1 9 . 1 1 38 38 SER H H 38 8.387 8.387 7.979 0.408 19860 3737 1 9 . 1 1 39 39 HIS N N 39 122.230 122.230 120.649 1.581 19860 3738 1 9 . 1 1 39 39 HIS HA H 39 4.768 4.768 4.285 0.483 19860 3739 1 9 . 1 1 39 39 HIS C C 39 173.143 173.143 174.793 -1.650 19860 3740 1 9 . 1 1 39 39 HIS CA C 39 56.328 56.328 56.126 0.202 19860 3741 1 9 . 1 1 39 39 HIS CB C 39 29.938 29.938 30.436 -0.498 19860 3742 1 9 . 1 1 39 39 HIS H H 39 8.424 8.424 7.923 0.501 19860 3743 1 9 . 1 1 40 40 VAL N N 40 126.582 126.582 120.943 5.639 19860 3744 1 9 . 1 1 40 40 VAL HA H 40 4.915 4.915 4.777 0.138 19860 3745 1 9 . 1 1 40 40 VAL C C 40 175.763 175.763 175.371 0.392 19860 3746 1 9 . 1 1 40 40 VAL CA C 40 60.612 60.612 60.586 0.026 19860 3747 1 9 . 1 1 40 40 VAL CB C 40 34.085 34.085 33.861 0.224 19860 3748 1 9 . 1 1 40 40 VAL H H 40 8.364 8.364 8.441 -0.077 19860 3749 1 9 . 1 1 41 41 SER N N 41 121.067 121.067 117.665 3.402 19860 3750 1 9 . 1 1 41 41 SER HA H 41 4.947 4.947 4.948 -0.001 19860 3751 1 9 . 1 1 41 41 SER C C 41 174.505 174.505 173.925 0.580 19860 3752 1 9 . 1 1 41 41 SER CA C 41 57.001 57.001 56.633 0.368 19860 3753 1 9 . 1 1 41 41 SER CB C 41 65.504 65.504 65.418 0.085 19860 3754 1 9 . 1 1 41 41 SER H H 41 9.297 9.297 9.060 0.237 19860 3755 1 9 . 1 1 42 42 LYS N N 42 123.812 123.812 122.809 1.003 19860 3756 1 9 . 1 1 42 42 LYS HA H 42 4.905 4.905 4.344 0.561 19860 3757 1 9 . 1 1 42 42 LYS C C 42 175.037 175.037 176.005 -0.968 19860 3758 1 9 . 1 1 42 42 LYS CA C 42 56.600 56.600 56.048 0.552 19860 3759 1 9 . 1 1 42 42 LYS CB C 42 32.827 32.827 32.626 0.202 19860 3760 1 9 . 1 1 42 42 LYS H H 42 8.962 8.962 8.584 0.378 19860 3761 1 9 . 1 1 43 43 ASN N N 43 115.779 115.779 119.925 -4.146 19860 3762 1 9 . 1 1 43 43 ASN HA H 43 4.906 4.906 4.583 0.323 19860 3763 1 9 . 1 1 43 43 ASN C C 43 173.479 173.479 174.303 -0.824 19860 3764 1 9 . 1 1 43 43 ASN CA C 43 51.840 51.840 53.156 -1.316 19860 3765 1 9 . 1 1 43 43 ASN CB C 43 40.763 40.763 39.220 1.543 19860 3766 1 9 . 1 1 43 43 ASN H H 43 8.053 8.053 7.506 0.547 19860 3767 1 9 . 1 1 44 44 ARG N N 44 124.471 124.471 123.360 1.111 19860 3768 1 9 . 1 1 44 44 ARG HA H 44 3.217 3.217 3.834 -0.617 19860 3769 1 9 . 1 1 44 44 ARG C C 44 173.869 173.869 173.817 0.052 19860 3770 1 9 . 1 1 44 44 ARG CA C 44 54.034 54.034 53.142 0.892 19860 3771 1 9 . 1 1 44 44 ARG CB C 44 29.917 29.917 29.785 0.132 19860 3772 1 9 . 1 1 44 44 ARG H H 44 8.565 8.565 8.250 0.315 19860 3773 1 9 . 1 1 45 45 PRO HA H 45 4.123 4.123 4.443 -0.320 19860 3774 1 9 . 1 1 45 45 PRO C C 45 176.434 176.434 176.412 0.022 19860 3775 1 9 . 1 1 45 45 PRO CA C 45 62.292 62.292 61.985 0.307 19860 3776 1 9 . 1 1 45 45 PRO CB C 45 32.110 32.110 32.535 -0.425 19860 3777 1 9 . 1 1 46 46 LYS N N 46 122.529 122.529 121.282 1.247 19860 3778 1 9 . 1 1 46 46 LYS HA H 46 4.110 4.110 4.332 -0.222 19860 3779 1 9 . 1 1 46 46 LYS C C 46 176.931 176.931 177.111 -0.180 19860 3780 1 9 . 1 1 46 46 LYS CA C 46 57.000 57.000 57.266 -0.266 19860 3781 1 9 . 1 1 46 46 LYS CB C 46 33.095 33.095 32.947 0.148 19860 3782 1 9 . 1 1 46 46 LYS H H 46 8.470 8.470 8.313 0.157 19860 3783 1 9 . 1 1 47 47 ASN N N 47 117.122 117.122 118.061 -0.939 19860 3784 1 9 . 1 1 47 47 ASN HA H 47 4.589 4.589 4.720 -0.131 19860 3785 1 9 . 1 1 47 47 ASN C C 47 174.011 174.011 175.154 -1.143 19860 3786 1 9 . 1 1 47 47 ASN CA C 47 53.493 53.493 52.896 0.597 19860 3787 1 9 . 1 1 47 47 ASN CB C 47 37.868 37.868 39.041 -1.173 19860 3788 1 9 . 1 1 47 47 ASN H H 47 8.745 8.745 8.123 0.622 19860 3789 1 9 . 1 1 48 48 ALA N N 48 119.908 119.908 123.133 -3.225 19860 3790 1 9 . 1 1 48 48 ALA HA H 48 4.609 4.609 4.496 0.113 19860 3791 1 9 . 1 1 48 48 ALA C C 48 176.506 176.506 176.574 -0.068 19860 3792 1 9 . 1 1 48 48 ALA CA C 48 51.136 51.136 51.553 -0.417 19860 3793 1 9 . 1 1 48 48 ALA CB C 48 22.389 22.389 20.383 2.006 19860 3794 1 9 . 1 1 48 48 ALA H H 48 7.394 7.394 7.425 -0.031 19860 3795 1 9 . 1 1 49 49 ILE N N 49 123.192 123.192 120.933 2.259 19860 3796 1 9 . 1 1 49 49 ILE HA H 49 4.140 4.140 4.286 -0.146 19860 3797 1 9 . 1 1 49 49 ILE C C 49 174.731 174.731 175.300 -0.569 19860 3798 1 9 . 1 1 49 49 ILE CA C 49 61.597 61.597 60.507 1.090 19860 3799 1 9 . 1 1 49 49 ILE CB C 49 38.166 38.166 36.956 1.210 19860 3800 1 9 . 1 1 49 49 ILE H H 49 8.878 8.878 8.677 0.201 19860 3801 1 9 . 1 1 50 50 VAL N N 50 127.552 127.552 122.584 4.968 19860 3802 1 9 . 1 1 50 50 VAL HA H 50 5.289 5.289 5.719 -0.430 19860 3803 1 9 . 1 1 50 50 VAL C C 50 176.411 176.411 175.380 1.031 19860 3804 1 9 . 1 1 50 50 VAL CA C 50 60.499 60.499 59.852 0.647 19860 3805 1 9 . 1 1 50 50 VAL CB C 50 33.890 33.890 33.889 0.001 19860 3806 1 9 . 1 1 50 50 VAL H H 50 8.371 8.371 8.276 0.095 19860 3807 1 9 . 1 1 51 51 ILE N N 51 126.906 126.906 126.251 0.655 19860 3808 1 9 . 1 1 51 51 ILE HA H 51 4.691 4.691 4.478 0.213 19860 3809 1 9 . 1 1 51 51 ILE C C 51 175.322 175.322 175.108 0.214 19860 3810 1 9 . 1 1 51 51 ILE CA C 51 59.439 59.439 60.199 -0.760 19860 3811 1 9 . 1 1 51 51 ILE CB C 51 41.189 41.189 41.697 -0.507 19860 3812 1 9 . 1 1 51 51 ILE H H 51 9.314 9.314 8.706 0.608 19860 3813 1 9 . 1 1 52 52 LYS N N 52 123.523 123.523 127.213 -3.690 19860 3814 1 9 . 1 1 52 52 LYS HA H 52 4.686 4.686 4.561 0.125 19860 3815 1 9 . 1 1 52 52 LYS C C 52 178.237 178.237 178.043 0.194 19860 3816 1 9 . 1 1 52 52 LYS CA C 52 56.120 56.120 56.356 -0.236 19860 3817 1 9 . 1 1 52 52 LYS CB C 52 33.392 33.392 33.516 -0.124 19860 3818 1 9 . 1 1 52 52 LYS H H 52 8.737 8.737 8.756 -0.019 19860 3819 1 9 . 1 1 53 53 MET N N 53 119.701 119.701 123.148 -3.447 19860 3820 1 9 . 1 1 53 53 MET HA H 53 3.908 3.908 4.032 -0.124 19860 3821 1 9 . 1 1 53 53 MET C C 53 177.401 177.401 178.235 -0.834 19860 3822 1 9 . 1 1 53 53 MET CA C 53 58.725 58.725 59.910 -1.185 19860 3823 1 9 . 1 1 53 53 MET CB C 53 33.383 33.383 32.262 1.121 19860 3824 1 9 . 1 1 53 53 MET H H 53 8.799 8.799 8.248 0.551 19860 3825 1 9 . 1 1 54 54 ASP N N 54 113.357 113.357 117.977 -4.620 19860 3826 1 9 . 1 1 54 54 ASP HA H 54 4.288 4.288 4.371 -0.083 19860 3827 1 9 . 1 1 54 54 ASP C C 54 176.649 176.649 177.347 -0.698 19860 3828 1 9 . 1 1 54 54 ASP CA C 54 56.682 56.682 56.406 0.276 19860 3829 1 9 . 1 1 54 54 ASP CB C 54 40.670 40.670 40.722 -0.053 19860 3830 1 9 . 1 1 54 54 ASP H H 54 8.262 8.262 8.543 -0.281 19860 3831 1 9 . 1 1 55 55 ASN N N 55 114.935 114.935 116.606 -1.671 19860 3832 1 9 . 1 1 55 55 ASN HA H 55 5.001 5.001 4.715 0.286 19860 3833 1 9 . 1 1 55 55 ASN C C 55 175.032 175.032 175.295 -0.263 19860 3834 1 9 . 1 1 55 55 ASN CA C 55 52.897 52.897 53.637 -0.740 19860 3835 1 9 . 1 1 55 55 ASN CB C 55 39.184 39.184 39.484 -0.300 19860 3836 1 9 . 1 1 55 55 ASN H H 55 7.971 7.971 7.818 0.153 19860 3837 1 9 . 1 1 56 56 LEU N N 56 120.385 120.385 122.695 -2.310 19860 3838 1 9 . 1 1 56 56 LEU HA H 56 4.488 4.488 4.513 -0.025 19860 3839 1 9 . 1 1 56 56 LEU C C 56 174.131 174.131 174.608 -0.477 19860 3840 1 9 . 1 1 56 56 LEU CA C 56 52.912 52.912 51.668 1.244 19860 3841 1 9 . 1 1 56 56 LEU CB C 56 41.958 41.958 41.166 0.792 19860 3842 1 9 . 1 1 56 56 LEU H H 56 7.331 7.331 7.459 -0.128 19860 3843 1 9 . 1 1 57 57 PRO HA H 57 4.617 4.617 4.483 0.134 19860 3844 1 9 . 1 1 57 57 PRO C C 57 178.627 178.627 177.767 0.860 19860 3845 1 9 . 1 1 57 57 PRO CA C 57 62.751 62.751 62.707 0.044 19860 3846 1 9 . 1 1 57 57 PRO CB C 57 32.718 32.718 32.437 0.281 19860 3847 1 9 . 1 1 58 58 ILE N N 58 125.295 125.295 120.275 5.020 19860 3848 1 9 . 1 1 58 58 ILE HA H 58 3.783 3.783 3.727 0.056 19860 3849 1 9 . 1 1 58 58 ILE C C 58 176.776 176.776 177.702 -0.926 19860 3850 1 9 . 1 1 58 58 ILE CA C 58 64.583 64.583 64.186 0.397 19860 3851 1 9 . 1 1 58 58 ILE CB C 58 37.959 37.959 37.439 0.520 19860 3852 1 9 . 1 1 58 58 ILE H H 58 8.882 8.882 8.412 0.470 19860 3853 1 9 . 1 1 59 59 GLU N N 59 118.869 118.869 120.076 -1.207 19860 3854 1 9 . 1 1 59 59 GLU HA H 59 4.254 4.254 4.061 0.193 19860 3855 1 9 . 1 1 59 59 GLU C C 59 179.370 179.370 178.970 0.400 19860 3856 1 9 . 1 1 59 59 GLU CA C 59 59.757 59.757 59.385 0.372 19860 3857 1 9 . 1 1 59 59 GLU CB C 59 29.053 29.053 29.111 -0.058 19860 3858 1 9 . 1 1 59 59 GLU H H 59 9.348 9.348 8.636 0.712 19860 3859 1 9 . 1 1 60 60 VAL N N 60 118.990 118.990 119.593 -0.603 19860 3860 1 9 . 1 1 60 60 VAL HA H 60 3.772 3.772 3.657 0.115 19860 3861 1 9 . 1 1 60 60 VAL C C 60 177.451 177.451 177.745 -0.294 19860 3862 1 9 . 1 1 60 60 VAL CA C 60 65.331 65.331 65.755 -0.424 19860 3863 1 9 . 1 1 60 60 VAL CB C 60 31.869 31.869 31.169 0.700 19860 3864 1 9 . 1 1 60 60 VAL H H 60 7.290 7.290 7.646 -0.356 19860 3865 1 9 . 1 1 61 61 LYS N N 61 120.824 120.824 120.278 0.546 19860 3866 1 9 . 1 1 61 61 LYS HA H 61 3.782 3.782 3.846 -0.064 19860 3867 1 9 . 1 1 61 61 LYS C C 61 179.444 179.444 178.643 0.801 19860 3868 1 9 . 1 1 61 61 LYS CA C 61 61.060 61.060 60.148 0.912 19860 3869 1 9 . 1 1 61 61 LYS CB C 61 32.196 32.196 31.832 0.364 19860 3870 1 9 . 1 1 61 61 LYS H H 61 8.043 8.043 8.034 0.009 19860 3871 1 9 . 1 1 62 62 ASP N N 62 119.231 119.231 120.198 -0.967 19860 3872 1 9 . 1 1 62 62 ASP HA H 62 4.427 4.427 4.287 0.140 19860 3873 1 9 . 1 1 62 62 ASP C C 62 178.420 178.420 178.008 0.412 19860 3874 1 9 . 1 1 62 62 ASP CA C 62 57.851 57.851 57.616 0.235 19860 3875 1 9 . 1 1 62 62 ASP CB C 62 40.780 40.780 40.582 0.198 19860 3876 1 9 . 1 1 62 62 ASP H H 62 8.766 8.766 8.340 0.426 19860 3877 1 9 . 1 1 63 63 LYS N N 63 119.623 119.623 119.108 0.515 19860 3878 1 9 . 1 1 63 63 LYS HA H 63 4.025 4.025 4.075 -0.050 19860 3879 1 9 . 1 1 63 63 LYS C C 63 178.866 178.866 179.377 -0.511 19860 3880 1 9 . 1 1 63 63 LYS CA C 63 59.667 59.667 58.483 1.183 19860 3881 1 9 . 1 1 63 63 LYS CB C 63 32.929 32.929 32.141 0.788 19860 3882 1 9 . 1 1 63 63 LYS H H 63 7.391 7.391 7.546 -0.155 19860 3883 1 9 . 1 1 64 64 LEU N N 64 118.806 118.806 119.784 -0.978 19860 3884 1 9 . 1 1 64 64 LEU HA H 64 4.216 4.216 3.899 0.317 19860 3885 1 9 . 1 1 64 64 LEU C C 64 178.793 178.793 178.806 -0.013 19860 3886 1 9 . 1 1 64 64 LEU CA C 64 58.011 58.011 57.837 0.174 19860 3887 1 9 . 1 1 64 64 LEU CB C 64 42.251 42.251 41.203 1.048 19860 3888 1 9 . 1 1 64 64 LEU H H 64 8.357 8.357 8.527 -0.170 19860 3889 1 9 . 1 1 65 65 THR N N 65 115.102 115.102 114.760 0.342 19860 3890 1 9 . 1 1 65 65 THR HA H 65 3.920 3.920 3.643 0.277 19860 3891 1 9 . 1 1 65 65 THR C C 65 176.410 176.410 176.062 0.348 19860 3892 1 9 . 1 1 65 65 THR CA C 65 66.705 66.705 66.009 0.696 19860 3893 1 9 . 1 1 65 65 THR CB C 65 68.876 68.876 68.489 0.387 19860 3894 1 9 . 1 1 65 65 THR H H 65 8.343 8.343 8.020 0.323 19860 3895 1 9 . 1 1 66 66 ARG N N 66 119.405 119.405 119.136 0.269 19860 3896 1 9 . 1 1 66 66 ARG HA H 66 4.067 4.067 4.034 0.033 19860 3897 1 9 . 1 1 66 66 ARG C C 66 177.988 177.988 178.115 -0.127 19860 3898 1 9 . 1 1 66 66 ARG CA C 66 58.961 58.961 58.844 0.117 19860 3899 1 9 . 1 1 66 66 ARG CB C 66 30.302 30.302 30.089 0.213 19860 3900 1 9 . 1 1 66 66 ARG H H 66 7.832 7.832 7.977 -0.145 19860 3901 1 9 . 1 1 67 67 PHE N N 67 117.304 117.304 119.100 -1.796 19860 3902 1 9 . 1 1 67 67 PHE HA H 67 4.323 4.323 4.357 -0.034 19860 3903 1 9 . 1 1 67 67 PHE C C 67 177.141 177.141 176.406 0.735 19860 3904 1 9 . 1 1 67 67 PHE CA C 67 59.989 59.989 60.873 -0.884 19860 3905 1 9 . 1 1 67 67 PHE CB C 67 39.269 39.269 40.204 -0.935 19860 3906 1 9 . 1 1 67 67 PHE H H 67 8.190 8.190 7.850 0.340 19860 3907 1 9 . 1 1 68 68 PHE N N 68 114.297 114.297 112.463 1.834 19860 3908 1 9 . 1 1 68 68 PHE HA H 68 4.696 4.696 4.815 -0.119 19860 3909 1 9 . 1 1 68 68 PHE C C 68 175.969 175.969 175.577 0.392 19860 3910 1 9 . 1 1 68 68 PHE CA C 68 59.112 59.112 57.872 1.240 19860 3911 1 9 . 1 1 68 68 PHE CB C 68 40.100 40.100 39.856 0.244 19860 3912 1 9 . 1 1 68 68 PHE H H 68 8.087 8.087 7.947 0.140 19860 3913 1 9 . 1 1 69 69 LEU N N 69 119.594 119.594 122.636 -3.042 19860 3914 1 9 . 1 1 69 69 LEU HA H 69 4.476 4.476 4.541 -0.065 19860 3915 1 9 . 1 1 69 69 LEU C C 69 177.425 177.425 177.113 0.312 19860 3916 1 9 . 1 1 69 69 LEU CA C 69 55.805 55.805 54.513 1.292 19860 3917 1 9 . 1 1 69 69 LEU CB C 69 41.399 41.399 41.681 -0.282 19860 3918 1 9 . 1 1 69 69 LEU H H 69 7.823 7.823 7.312 0.511 19860 3919 1 9 . 1 1 70 70 LEU N N 70 119.723 119.723 115.984 3.739 19860 3920 1 9 . 1 1 70 70 LEU HA H 70 4.341 4.341 4.462 -0.121 19860 3921 1 9 . 1 1 70 70 LEU C C 70 177.443 177.443 177.107 0.336 19860 3922 1 9 . 1 1 70 70 LEU CA C 70 55.288 55.288 55.259 0.029 19860 3923 1 9 . 1 1 70 70 LEU CB C 70 42.205 42.205 41.245 0.960 19860 3924 1 9 . 1 1 70 70 LEU H H 70 7.905 7.905 7.589 0.316 19860 3925 1 9 . 1 1 71 71 GLU N N 71 120.533 120.533 120.909 -0.376 19860 3926 1 9 . 1 1 71 71 GLU HA H 71 4.200 4.200 4.192 0.008 19860 3927 1 9 . 1 1 71 71 GLU C C 71 176.250 176.250 175.565 0.685 19860 3928 1 9 . 1 1 71 71 GLU CA C 71 56.609 56.609 56.575 0.034 19860 3929 1 9 . 1 1 71 71 GLU CB C 71 30.475 30.475 28.801 1.674 19860 3930 1 9 . 1 1 71 71 GLU H H 71 8.244 8.244 7.590 0.654 19860 3931 1 9 . 1 1 72 72 HIS N N 72 119.783 119.783 124.071 -4.288 19860 3932 1 9 . 1 1 72 72 HIS HA H 72 4.623 4.623 4.753 -0.130 19860 3933 1 9 . 1 1 72 72 HIS C C 72 174.645 174.645 173.908 0.737 19860 3934 1 9 . 1 1 72 72 HIS CA C 72 55.737 55.737 55.741 -0.004 19860 3935 1 9 . 1 1 72 72 HIS CB C 72 29.901 29.901 32.732 -2.831 19860 3936 1 9 . 1 1 72 72 HIS H H 72 8.403 8.403 7.840 0.563 19860 3937 1 9 . 1 1 73 73 HIS N N 73 120.199 120.199 126.861 -6.662 19860 3938 1 9 . 1 1 73 73 HIS HA H 73 4.625 4.625 4.710 -0.085 19860 3939 1 9 . 1 1 73 73 HIS C C 73 174.552 174.552 175.386 -0.834 19860 3940 1 9 . 1 1 73 73 HIS CA C 73 55.754 55.754 55.870 -0.116 19860 3941 1 9 . 1 1 73 73 HIS CB C 73 29.976 29.976 28.756 1.220 19860 3942 1 9 . 1 1 73 73 HIS H H 73 8.539 8.539 8.371 0.168 19860 3943 1 9 . 1 1 74 74 HIS N N 74 120.457 120.457 119.199 1.258 19860 3944 1 9 . 1 1 74 74 HIS HA H 74 4.655 4.655 4.274 0.381 19860 3945 1 9 . 1 1 74 74 HIS C C 74 174.638 174.638 175.372 -0.734 19860 3946 1 9 . 1 1 74 74 HIS CA C 74 55.771 55.771 57.517 -1.746 19860 3947 1 9 . 1 1 74 74 HIS CB C 74 29.916 29.916 29.524 0.392 19860 3948 1 9 . 1 1 74 74 HIS H H 74 8.681 8.681 8.577 0.104 19860 3949 1 9 . 1 1 75 75 HIS N N 75 120.782 120.782 120.349 0.433 19860 3950 1 9 . 1 1 75 75 HIS HA H 75 4.671 4.671 4.377 0.294 19860 3951 1 9 . 1 1 75 75 HIS C C 75 174.525 174.525 174.839 -0.314 19860 3952 1 9 . 1 1 75 75 HIS CA C 75 55.758 55.758 58.431 -2.673 19860 3953 1 9 . 1 1 75 75 HIS CB C 75 29.934 29.934 30.118 -0.184 19860 3954 1 9 . 1 1 75 75 HIS H H 75 8.755 8.755 8.699 0.056 19860 3955 1 9 . 1 1 76 76 HIS N N 76 120.737 120.737 114.967 5.770 19860 3956 1 9 . 1 1 76 76 HIS HA H 76 4.666 4.666 4.876 -0.210 19860 3957 1 9 . 1 1 76 76 HIS C C 76 173.873 173.873 173.236 0.637 19860 3958 1 9 . 1 1 76 76 HIS CA C 76 55.921 55.921 54.934 0.987 19860 3959 1 9 . 1 1 76 76 HIS CB C 76 29.848 29.848 29.853 -0.005 19860 3960 1 9 . 1 1 76 76 HIS H H 76 8.693 8.693 7.906 0.787 19860 3961 1 10 . 1 1 2 2 LEU HA H 2 4.435 4.435 4.080 0.355 19860 3962 1 10 . 1 1 2 2 LEU C C 2 176.773 176.773 176.546 0.227 19860 3963 1 10 . 1 1 2 2 LEU CA C 2 55.299 55.299 54.952 0.347 19860 3964 1 10 . 1 1 2 2 LEU CB C 2 42.529 42.529 41.869 0.660 19860 3965 1 10 . 1 1 3 3 LYS N N 3 123.220 123.220 121.615 1.605 19860 3966 1 10 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.346 -0.021 19860 3967 1 10 . 1 1 3 3 LYS C C 3 176.224 176.224 175.782 0.442 19860 3968 1 10 . 1 1 3 3 LYS CA C 3 56.344 56.344 56.912 -0.568 19860 3969 1 10 . 1 1 3 3 LYS CB C 3 33.335 33.335 30.694 2.641 19860 3970 1 10 . 1 1 3 3 LYS H H 3 8.520 8.520 8.455 0.065 19860 3971 1 10 . 1 1 4 4 HIS N N 4 119.727 119.727 117.212 2.515 19860 3972 1 10 . 1 1 4 4 HIS HA H 4 4.721 4.721 4.746 -0.025 19860 3973 1 10 . 1 1 4 4 HIS C C 4 175.318 175.318 174.103 1.215 19860 3974 1 10 . 1 1 4 4 HIS CA C 4 55.941 55.941 55.767 0.174 19860 3975 1 10 . 1 1 4 4 HIS CB C 4 30.636 30.636 32.074 -1.438 19860 3976 1 10 . 1 1 4 4 HIS H H 4 8.486 8.486 8.079 0.407 19860 3977 1 10 . 1 1 5 5 GLY N N 5 110.318 110.318 106.943 3.375 19860 3978 1 10 . 1 1 5 5 GLY C C 5 172.966 172.966 171.955 1.011 19860 3979 1 10 . 1 1 5 5 GLY CA C 5 45.146 45.146 45.337 -0.191 19860 3980 1 10 . 1 1 5 5 GLY H H 5 8.602 8.602 7.400 1.202 19860 3981 1 10 . 1 1 6 6 LYS N N 6 120.808 120.808 121.908 -1.100 19860 3982 1 10 . 1 1 6 6 LYS HA H 6 4.438 4.438 4.730 -0.292 19860 3983 1 10 . 1 1 6 6 LYS C C 6 175.168 175.168 173.844 1.324 19860 3984 1 10 . 1 1 6 6 LYS CA C 6 56.179 56.179 54.260 1.919 19860 3985 1 10 . 1 1 6 6 LYS CB C 6 34.277 34.277 35.837 -1.560 19860 3986 1 10 . 1 1 6 6 LYS H H 6 8.275 8.275 8.093 0.182 19860 3987 1 10 . 1 1 7 7 TYR N N 7 118.666 118.666 120.619 -1.953 19860 3988 1 10 . 1 1 7 7 TYR HA H 7 5.513 5.513 5.572 -0.059 19860 3989 1 10 . 1 1 7 7 TYR C C 7 176.004 176.004 176.151 -0.147 19860 3990 1 10 . 1 1 7 7 TYR CA C 7 56.971 56.971 57.625 -0.654 19860 3991 1 10 . 1 1 7 7 TYR CB C 7 41.032 41.032 39.449 1.583 19860 3992 1 10 . 1 1 7 7 TYR H H 7 8.351 8.351 8.525 -0.174 19860 3993 1 10 . 1 1 8 8 VAL N N 8 115.920 115.920 118.541 -2.621 19860 3994 1 10 . 1 1 8 8 VAL HA H 8 4.860 4.860 4.796 0.064 19860 3995 1 10 . 1 1 8 8 VAL C C 8 173.220 173.220 173.540 -0.320 19860 3996 1 10 . 1 1 8 8 VAL CA C 8 59.694 59.694 59.049 0.645 19860 3997 1 10 . 1 1 8 8 VAL CB C 8 35.246 35.246 34.941 0.305 19860 3998 1 10 . 1 1 8 8 VAL H H 8 9.057 9.057 8.952 0.105 19860 3999 1 10 . 1 1 9 9 TYR N N 9 118.786 118.786 117.145 1.641 19860 4000 1 10 . 1 1 9 9 TYR HA H 9 5.515 5.515 5.654 -0.139 19860 4001 1 10 . 1 1 9 9 TYR C C 9 175.072 175.072 176.047 -0.975 19860 4002 1 10 . 1 1 9 9 TYR CA C 9 56.576 56.576 55.824 0.752 19860 4003 1 10 . 1 1 9 9 TYR CB C 9 41.532 41.532 42.073 -0.541 19860 4004 1 10 . 1 1 9 9 TYR H H 9 9.117 9.117 8.303 0.814 19860 4005 1 10 . 1 1 10 10 ILE N N 10 121.376 121.376 122.521 -1.145 19860 4006 1 10 . 1 1 10 10 ILE HA H 10 4.887 4.887 4.621 0.266 19860 4007 1 10 . 1 1 10 10 ILE C C 10 176.044 176.044 176.128 -0.084 19860 4008 1 10 . 1 1 10 10 ILE CA C 10 58.948 58.948 58.667 0.281 19860 4009 1 10 . 1 1 10 10 ILE CB C 10 38.537 38.537 37.646 0.891 19860 4010 1 10 . 1 1 10 10 ILE H H 10 9.514 9.514 8.860 0.654 19860 4011 1 10 . 1 1 11 11 ASP N N 11 126.501 126.501 128.558 -2.057 19860 4012 1 10 . 1 1 11 11 ASP HA H 11 4.390 4.390 4.510 -0.120 19860 4013 1 10 . 1 1 11 11 ASP C C 11 175.850 175.850 176.469 -0.619 19860 4014 1 10 . 1 1 11 11 ASP CA C 11 53.377 53.377 53.608 -0.230 19860 4015 1 10 . 1 1 11 11 ASP CB C 11 41.808 41.808 40.310 1.498 19860 4016 1 10 . 1 1 11 11 ASP H H 11 8.676 8.676 8.676 0.000 19860 4017 1 10 . 1 1 12 12 LEU N N 12 127.505 127.505 125.079 2.426 19860 4018 1 10 . 1 1 12 12 LEU HA H 12 4.319 4.319 4.095 0.224 19860 4019 1 10 . 1 1 12 12 LEU C C 12 176.132 176.132 177.792 -1.660 19860 4020 1 10 . 1 1 12 12 LEU CA C 12 55.439 55.439 56.315 -0.875 19860 4021 1 10 . 1 1 12 12 LEU CB C 12 40.312 40.312 42.014 -1.702 19860 4022 1 10 . 1 1 12 12 LEU H H 12 7.692 7.692 7.781 -0.089 19860 4023 1 10 . 1 1 13 13 ASN N N 13 114.351 114.351 113.157 1.194 19860 4024 1 10 . 1 1 13 13 ASN HA H 13 4.391 4.391 4.180 0.211 19860 4025 1 10 . 1 1 13 13 ASN C C 13 174.440 174.440 175.355 -0.915 19860 4026 1 10 . 1 1 13 13 ASN CA C 13 54.482 54.482 54.835 -0.353 19860 4027 1 10 . 1 1 13 13 ASN CB C 13 37.861 37.861 37.273 0.588 19860 4028 1 10 . 1 1 13 13 ASN H H 13 9.187 9.187 8.170 1.017 19860 4029 1 10 . 1 1 14 14 ASN N N 14 115.057 115.057 117.325 -2.268 19860 4030 1 10 . 1 1 14 14 ASN HA H 14 4.779 4.779 4.757 0.022 19860 4031 1 10 . 1 1 14 14 ASN C C 14 176.213 176.213 175.919 0.294 19860 4032 1 10 . 1 1 14 14 ASN CA C 14 52.149 52.149 53.122 -0.973 19860 4033 1 10 . 1 1 14 14 ASN CB C 14 38.727 38.727 37.724 1.003 19860 4034 1 10 . 1 1 14 14 ASN H H 14 7.737 7.737 8.220 -0.483 19860 4035 1 10 . 1 1 15 15 GLY N N 15 110.453 110.453 106.287 4.166 19860 4036 1 10 . 1 1 15 15 GLY C C 15 172.968 172.968 173.944 -0.976 19860 4037 1 10 . 1 1 15 15 GLY CA C 15 45.136 45.136 45.117 0.019 19860 4038 1 10 . 1 1 15 15 GLY H H 15 8.744 8.744 8.373 0.371 19860 4039 1 10 . 1 1 16 16 LYS N N 16 116.557 116.557 119.130 -2.573 19860 4040 1 10 . 1 1 16 16 LYS HA H 16 4.992 4.992 4.979 0.013 19860 4041 1 10 . 1 1 16 16 LYS C C 16 175.214 175.214 174.250 0.964 19860 4042 1 10 . 1 1 16 16 LYS CA C 16 54.653 54.653 55.106 -0.453 19860 4043 1 10 . 1 1 16 16 LYS CB C 16 35.359 35.359 35.832 -0.473 19860 4044 1 10 . 1 1 16 16 LYS H H 16 7.559 7.559 7.479 0.080 19860 4045 1 10 . 1 1 17 17 TYR N N 17 117.020 117.020 117.558 -0.538 19860 4046 1 10 . 1 1 17 17 TYR HA H 17 5.551 5.551 4.855 0.696 19860 4047 1 10 . 1 1 17 17 TYR C C 17 175.491 175.491 174.507 0.984 19860 4048 1 10 . 1 1 17 17 TYR CA C 17 56.255 56.255 56.934 -0.679 19860 4049 1 10 . 1 1 17 17 TYR CB C 17 42.270 42.270 43.056 -0.785 19860 4050 1 10 . 1 1 17 17 TYR H H 17 8.577 8.577 8.544 0.033 19860 4051 1 10 . 1 1 18 18 VAL N N 18 121.032 121.032 121.620 -0.588 19860 4052 1 10 . 1 1 18 18 VAL HA H 18 5.027 5.027 4.566 0.461 19860 4053 1 10 . 1 1 18 18 VAL C C 18 174.046 174.046 174.292 -0.246 19860 4054 1 10 . 1 1 18 18 VAL CA C 18 59.711 59.711 60.347 -0.636 19860 4055 1 10 . 1 1 18 18 VAL CB C 18 35.076 35.076 33.769 1.307 19860 4056 1 10 . 1 1 18 18 VAL H H 18 8.829 8.829 8.557 0.272 19860 4057 1 10 . 1 1 19 19 LYS N N 19 130.251 130.251 130.255 -0.004 19860 4058 1 10 . 1 1 19 19 LYS HA H 19 4.055 4.055 4.707 -0.652 19860 4059 1 10 . 1 1 19 19 LYS C C 19 175.628 175.628 174.725 0.903 19860 4060 1 10 . 1 1 19 19 LYS CA C 19 56.975 56.975 55.836 1.139 19860 4061 1 10 . 1 1 19 19 LYS CB C 19 33.380 33.380 32.779 0.601 19860 4062 1 10 . 1 1 19 19 LYS H H 19 8.388 8.388 8.926 -0.538 19860 4063 1 10 . 1 1 20 20 VAL N N 20 127.530 127.530 124.613 2.917 19860 4064 1 10 . 1 1 20 20 VAL HA H 20 4.946 4.946 4.491 0.455 19860 4065 1 10 . 1 1 20 20 VAL C C 20 173.581 173.581 173.999 -0.418 19860 4066 1 10 . 1 1 20 20 VAL CA C 20 60.483 60.483 58.934 1.549 19860 4067 1 10 . 1 1 20 20 VAL CB C 20 35.665 35.665 36.112 -0.447 19860 4068 1 10 . 1 1 20 20 VAL H H 20 9.428 9.428 8.721 0.707 19860 4069 1 10 . 1 1 21 21 ARG N N 21 125.804 125.804 128.101 -2.297 19860 4070 1 10 . 1 1 21 21 ARG HA H 21 4.716 4.716 4.520 0.196 19860 4071 1 10 . 1 1 21 21 ARG C C 21 174.905 174.905 175.571 -0.666 19860 4072 1 10 . 1 1 21 21 ARG CA C 21 54.864 54.864 54.951 -0.087 19860 4073 1 10 . 1 1 21 21 ARG CB C 21 32.881 32.881 30.317 2.564 19860 4074 1 10 . 1 1 21 21 ARG H H 21 9.084 9.084 8.612 0.472 19860 4075 1 10 . 1 1 22 22 ILE N N 22 124.167 124.167 126.695 -2.528 19860 4076 1 10 . 1 1 22 22 ILE HA H 22 4.624 4.624 4.164 0.460 19860 4077 1 10 . 1 1 22 22 ILE C C 22 175.887 175.887 174.938 0.949 19860 4078 1 10 . 1 1 22 22 ILE CA C 22 59.717 59.717 59.486 0.231 19860 4079 1 10 . 1 1 22 22 ILE CB C 22 38.699 38.699 36.984 1.715 19860 4080 1 10 . 1 1 22 22 ILE H H 22 8.554 8.554 8.983 -0.429 19860 4081 1 10 . 1 1 23 23 LEU N N 23 128.981 128.981 129.411 -0.430 19860 4082 1 10 . 1 1 23 23 LEU HA H 23 4.663 4.663 4.523 0.140 19860 4083 1 10 . 1 1 23 23 LEU C C 23 176.174 176.174 175.418 0.756 19860 4084 1 10 . 1 1 23 23 LEU CA C 23 53.897 53.897 53.717 0.180 19860 4085 1 10 . 1 1 23 23 LEU CB C 23 43.556 43.556 41.635 1.921 19860 4086 1 10 . 1 1 23 23 LEU H H 23 8.835 8.835 8.808 0.027 19860 4087 1 10 . 1 1 24 24 LYS N N 24 122.797 122.797 126.195 -3.398 19860 4088 1 10 . 1 1 24 24 LYS HA H 24 4.568 4.568 4.460 0.108 19860 4089 1 10 . 1 1 24 24 LYS C C 24 176.407 176.407 175.505 0.902 19860 4090 1 10 . 1 1 24 24 LYS CA C 24 55.808 55.808 55.218 0.590 19860 4091 1 10 . 1 1 24 24 LYS CB C 24 34.082 34.082 33.852 0.230 19860 4092 1 10 . 1 1 24 24 LYS H H 24 8.566 8.566 7.929 0.637 19860 4093 1 10 . 1 1 25 25 SER N N 25 118.453 118.453 123.444 -4.991 19860 4094 1 10 . 1 1 25 25 SER HA H 25 4.477 4.477 4.979 -0.502 19860 4095 1 10 . 1 1 25 25 SER C C 25 175.038 175.038 173.833 1.205 19860 4096 1 10 . 1 1 25 25 SER CA C 25 58.146 58.146 57.089 1.057 19860 4097 1 10 . 1 1 25 25 SER CB C 25 63.977 63.977 62.937 1.040 19860 4098 1 10 . 1 1 25 25 SER H H 25 8.668 8.668 9.085 -0.417 19860 4099 1 10 . 1 1 26 26 ARG N N 26 123.008 123.008 122.268 0.740 19860 4100 1 10 . 1 1 26 26 ARG HA H 26 4.284 4.284 4.238 0.046 19860 4101 1 10 . 1 1 26 26 ARG C C 26 176.640 176.640 176.524 0.116 19860 4102 1 10 . 1 1 26 26 ARG CA C 26 57.171 57.171 58.232 -1.061 19860 4103 1 10 . 1 1 26 26 ARG CB C 26 30.748 30.748 30.265 0.483 19860 4104 1 10 . 1 1 26 26 ARG H H 26 8.667 8.667 8.174 0.493 19860 4105 1 10 . 1 1 27 27 ASP N N 27 118.281 118.281 118.393 -0.112 19860 4106 1 10 . 1 1 27 27 ASP HA H 27 4.598 4.598 4.419 0.179 19860 4107 1 10 . 1 1 27 27 ASP C C 27 176.028 176.028 176.703 -0.675 19860 4108 1 10 . 1 1 27 27 ASP CA C 27 54.657 54.657 56.044 -1.387 19860 4109 1 10 . 1 1 27 27 ASP CB C 27 41.416 41.416 39.958 1.458 19860 4110 1 10 . 1 1 27 27 ASP H H 27 8.246 8.246 8.370 -0.124 19860 4111 1 10 . 1 1 28 28 ASP N N 28 118.646 118.646 119.573 -0.927 19860 4112 1 10 . 1 1 28 28 ASP HA H 28 4.563 4.563 4.526 0.037 19860 4113 1 10 . 1 1 28 28 ASP C C 28 176.165 176.165 176.325 -0.160 19860 4114 1 10 . 1 1 28 28 ASP CA C 28 54.822 54.822 55.884 -1.062 19860 4115 1 10 . 1 1 28 28 ASP CB C 28 41.150 41.150 41.960 -0.810 19860 4116 1 10 . 1 1 28 28 ASP H H 28 8.034 8.034 8.189 -0.155 19860 4117 1 10 . 1 1 29 29 ASN N N 29 117.519 117.519 114.078 3.441 19860 4118 1 10 . 1 1 29 29 ASN HA H 29 4.734 4.734 4.730 0.004 19860 4119 1 10 . 1 1 29 29 ASN C C 29 175.116 175.116 174.135 0.981 19860 4120 1 10 . 1 1 29 29 ASN CA C 29 53.951 53.951 54.224 -0.273 19860 4121 1 10 . 1 1 29 29 ASN CB C 29 38.779 38.779 39.558 -0.779 19860 4122 1 10 . 1 1 29 29 ASN H H 29 8.473 8.473 7.839 0.634 19860 4123 1 10 . 1 1 30 30 SER N N 30 114.910 114.910 114.176 0.734 19860 4124 1 10 . 1 1 30 30 SER HA H 30 4.493 4.493 4.563 -0.070 19860 4125 1 10 . 1 1 30 30 SER C C 30 174.235 174.235 173.728 0.507 19860 4126 1 10 . 1 1 30 30 SER CA C 30 58.669 58.669 57.939 0.730 19860 4127 1 10 . 1 1 30 30 SER CB C 30 64.403 64.403 64.781 -0.378 19860 4128 1 10 . 1 1 30 30 SER H H 30 8.206 8.206 8.328 -0.122 19860 4129 1 10 . 1 1 31 31 VAL N N 31 121.640 121.640 124.846 -3.206 19860 4130 1 10 . 1 1 31 31 VAL HA H 31 4.090 4.090 3.940 0.150 19860 4131 1 10 . 1 1 31 31 VAL C C 31 175.873 175.873 174.785 1.088 19860 4132 1 10 . 1 1 31 31 VAL CA C 31 62.939 62.939 63.135 -0.196 19860 4133 1 10 . 1 1 31 31 VAL CB C 31 32.878 32.878 31.114 1.764 19860 4134 1 10 . 1 1 31 31 VAL H H 31 8.242 8.242 7.646 0.596 19860 4135 1 10 . 1 1 32 32 GLU N N 32 125.144 125.144 128.175 -3.031 19860 4136 1 10 . 1 1 32 32 GLU HA H 32 4.417 4.417 5.211 -0.794 19860 4137 1 10 . 1 1 32 32 GLU C C 32 175.532 175.532 175.157 0.375 19860 4138 1 10 . 1 1 32 32 GLU CA C 32 56.886 56.886 54.808 2.078 19860 4139 1 10 . 1 1 32 32 GLU CB C 32 31.059 31.059 31.467 -0.408 19860 4140 1 10 . 1 1 32 32 GLU H H 32 8.679 8.679 8.492 0.187 19860 4141 1 10 . 1 1 33 33 LYS N N 33 120.222 120.222 122.558 -2.336 19860 4142 1 10 . 1 1 33 33 LYS HA H 33 4.574 4.574 4.301 0.273 19860 4143 1 10 . 1 1 33 33 LYS C C 33 174.194 174.194 174.452 -0.258 19860 4144 1 10 . 1 1 33 33 LYS CA C 33 55.324 55.324 54.034 1.290 19860 4145 1 10 . 1 1 33 33 LYS CB C 33 35.258 35.258 35.796 -0.538 19860 4146 1 10 . 1 1 33 33 LYS H H 33 8.229 8.229 8.085 0.144 19860 4147 1 10 . 1 1 34 34 TYR N N 34 121.014 121.014 118.192 2.822 19860 4148 1 10 . 1 1 34 34 TYR HA H 34 4.910 4.910 4.782 0.128 19860 4149 1 10 . 1 1 34 34 TYR C C 34 175.667 175.667 176.103 -0.436 19860 4150 1 10 . 1 1 34 34 TYR CA C 34 56.984 56.984 57.348 -0.364 19860 4151 1 10 . 1 1 34 34 TYR CB C 34 40.036 40.036 40.111 -0.075 19860 4152 1 10 . 1 1 34 34 TYR H H 34 8.552 8.552 8.252 0.300 19860 4153 1 10 . 1 1 35 35 VAL N N 35 124.624 124.624 121.694 2.930 19860 4154 1 10 . 1 1 35 35 VAL HA H 35 4.301 4.301 3.962 0.339 19860 4155 1 10 . 1 1 35 35 VAL C C 35 175.490 175.490 176.295 -0.805 19860 4156 1 10 . 1 1 35 35 VAL CA C 35 61.869 61.869 62.858 -0.989 19860 4157 1 10 . 1 1 35 35 VAL CB C 35 33.510 33.510 33.163 0.347 19860 4158 1 10 . 1 1 35 35 VAL H H 35 9.337 9.337 8.359 0.978 19860 4159 1 10 . 1 1 36 36 LEU N N 36 127.814 127.814 123.873 3.941 19860 4160 1 10 . 1 1 36 36 LEU HA H 36 4.326 4.326 4.388 -0.062 19860 4161 1 10 . 1 1 36 36 LEU C C 36 177.355 177.355 176.454 0.901 19860 4162 1 10 . 1 1 36 36 LEU CA C 36 56.612 56.612 54.919 1.693 19860 4163 1 10 . 1 1 36 36 LEU CB C 36 41.899 41.899 42.176 -0.277 19860 4164 1 10 . 1 1 36 36 LEU H H 36 8.845 8.845 8.347 0.498 19860 4165 1 10 . 1 1 37 37 THR N N 37 112.016 112.016 113.887 -1.871 19860 4166 1 10 . 1 1 37 37 THR HA H 37 4.904 4.904 4.250 0.654 19860 4167 1 10 . 1 1 37 37 THR C C 37 173.228 173.228 174.126 -0.898 19860 4168 1 10 . 1 1 37 37 THR CA C 37 61.023 61.023 62.543 -1.520 19860 4169 1 10 . 1 1 37 37 THR CB C 37 70.829 70.829 69.584 1.245 19860 4170 1 10 . 1 1 37 37 THR H H 37 7.374 7.374 7.822 -0.448 19860 4171 1 10 . 1 1 38 38 SER N N 38 111.049 111.049 116.421 -5.372 19860 4172 1 10 . 1 1 38 38 SER HA H 38 4.635 4.635 4.676 -0.041 19860 4173 1 10 . 1 1 38 38 SER C C 38 174.606 174.606 173.724 0.882 19860 4174 1 10 . 1 1 38 38 SER CA C 38 57.957 57.957 57.651 0.306 19860 4175 1 10 . 1 1 38 38 SER CB C 38 63.849 63.849 64.085 -0.236 19860 4176 1 10 . 1 1 38 38 SER H H 38 8.387 8.387 8.197 0.190 19860 4177 1 10 . 1 1 39 39 HIS N N 39 122.230 122.230 122.464 -0.234 19860 4178 1 10 . 1 1 39 39 HIS HA H 39 4.768 4.768 4.508 0.260 19860 4179 1 10 . 1 1 39 39 HIS C C 39 173.143 173.143 174.320 -1.177 19860 4180 1 10 . 1 1 39 39 HIS CA C 39 56.328 56.328 55.811 0.517 19860 4181 1 10 . 1 1 39 39 HIS CB C 39 29.938 29.938 29.193 0.745 19860 4182 1 10 . 1 1 39 39 HIS H H 39 8.424 8.424 8.173 0.251 19860 4183 1 10 . 1 1 40 40 VAL N N 40 126.582 126.582 121.006 5.576 19860 4184 1 10 . 1 1 40 40 VAL HA H 40 4.915 4.915 4.744 0.171 19860 4185 1 10 . 1 1 40 40 VAL C C 40 175.763 175.763 175.076 0.687 19860 4186 1 10 . 1 1 40 40 VAL CA C 40 60.612 60.612 60.339 0.273 19860 4187 1 10 . 1 1 40 40 VAL CB C 40 34.085 34.085 32.826 1.259 19860 4188 1 10 . 1 1 40 40 VAL H H 40 8.364 8.364 8.212 0.152 19860 4189 1 10 . 1 1 41 41 SER N N 41 121.067 121.067 117.863 3.204 19860 4190 1 10 . 1 1 41 41 SER HA H 41 4.947 4.947 4.908 0.039 19860 4191 1 10 . 1 1 41 41 SER C C 41 174.505 174.505 174.694 -0.189 19860 4192 1 10 . 1 1 41 41 SER CA C 41 57.001 57.001 56.002 0.999 19860 4193 1 10 . 1 1 41 41 SER CB C 41 65.504 65.504 65.177 0.327 19860 4194 1 10 . 1 1 41 41 SER H H 41 9.297 9.297 9.107 0.190 19860 4195 1 10 . 1 1 42 42 LYS N N 42 123.812 123.812 124.978 -1.166 19860 4196 1 10 . 1 1 42 42 LYS HA H 42 4.905 4.905 4.431 0.474 19860 4197 1 10 . 1 1 42 42 LYS C C 42 175.037 175.037 175.546 -0.509 19860 4198 1 10 . 1 1 42 42 LYS CA C 42 56.600 56.600 55.696 0.904 19860 4199 1 10 . 1 1 42 42 LYS CB C 42 32.827 32.827 31.919 0.908 19860 4200 1 10 . 1 1 42 42 LYS H H 42 8.962 8.962 8.685 0.277 19860 4201 1 10 . 1 1 43 43 ASN N N 43 115.779 115.779 119.964 -4.185 19860 4202 1 10 . 1 1 43 43 ASN HA H 43 4.906 4.906 4.824 0.082 19860 4203 1 10 . 1 1 43 43 ASN C C 43 173.479 173.479 174.120 -0.641 19860 4204 1 10 . 1 1 43 43 ASN CA C 43 51.840 51.840 52.435 -0.595 19860 4205 1 10 . 1 1 43 43 ASN CB C 43 40.763 40.763 41.035 -0.272 19860 4206 1 10 . 1 1 43 43 ASN H H 43 8.053 8.053 7.560 0.493 19860 4207 1 10 . 1 1 44 44 ARG N N 44 124.471 124.471 121.458 3.013 19860 4208 1 10 . 1 1 44 44 ARG HA H 44 3.217 3.217 4.218 -1.001 19860 4209 1 10 . 1 1 44 44 ARG C C 44 173.869 173.869 173.929 -0.060 19860 4210 1 10 . 1 1 44 44 ARG CA C 44 54.034 54.034 53.767 0.267 19860 4211 1 10 . 1 1 44 44 ARG CB C 44 29.917 29.917 30.359 -0.442 19860 4212 1 10 . 1 1 44 44 ARG H H 44 8.565 8.565 8.315 0.250 19860 4213 1 10 . 1 1 45 45 PRO HA H 45 4.123 4.123 4.318 -0.195 19860 4214 1 10 . 1 1 45 45 PRO C C 45 176.434 176.434 176.129 0.305 19860 4215 1 10 . 1 1 45 45 PRO CA C 45 62.292 62.292 62.209 0.083 19860 4216 1 10 . 1 1 45 45 PRO CB C 45 32.110 32.110 31.963 0.147 19860 4217 1 10 . 1 1 46 46 LYS N N 46 122.529 122.529 121.468 1.061 19860 4218 1 10 . 1 1 46 46 LYS HA H 46 4.110 4.110 4.142 -0.032 19860 4219 1 10 . 1 1 46 46 LYS C C 46 176.931 176.931 176.738 0.193 19860 4220 1 10 . 1 1 46 46 LYS CA C 46 57.000 57.000 57.215 -0.215 19860 4221 1 10 . 1 1 46 46 LYS CB C 46 33.095 33.095 32.223 0.872 19860 4222 1 10 . 1 1 46 46 LYS H H 46 8.470 8.470 8.413 0.057 19860 4223 1 10 . 1 1 47 47 ASN N N 47 117.122 117.122 120.441 -3.319 19860 4224 1 10 . 1 1 47 47 ASN HA H 47 4.589 4.589 4.798 -0.209 19860 4225 1 10 . 1 1 47 47 ASN C C 47 174.011 174.011 173.553 0.458 19860 4226 1 10 . 1 1 47 47 ASN CA C 47 53.493 53.493 53.059 0.434 19860 4227 1 10 . 1 1 47 47 ASN CB C 47 37.868 37.868 38.122 -0.254 19860 4228 1 10 . 1 1 47 47 ASN H H 47 8.745 8.745 8.303 0.442 19860 4229 1 10 . 1 1 48 48 ALA N N 48 119.908 119.908 125.558 -5.650 19860 4230 1 10 . 1 1 48 48 ALA HA H 48 4.609 4.609 4.546 0.063 19860 4231 1 10 . 1 1 48 48 ALA C C 48 176.506 176.506 175.460 1.046 19860 4232 1 10 . 1 1 48 48 ALA CA C 48 51.136 51.136 51.586 -0.450 19860 4233 1 10 . 1 1 48 48 ALA CB C 48 22.389 22.389 21.720 0.669 19860 4234 1 10 . 1 1 48 48 ALA H H 48 7.394 7.394 8.032 -0.638 19860 4235 1 10 . 1 1 49 49 ILE N N 49 123.192 123.192 122.192 1.000 19860 4236 1 10 . 1 1 49 49 ILE HA H 49 4.140 4.140 4.382 -0.242 19860 4237 1 10 . 1 1 49 49 ILE C C 49 174.731 174.731 175.123 -0.392 19860 4238 1 10 . 1 1 49 49 ILE CA C 49 61.597 61.597 60.485 1.112 19860 4239 1 10 . 1 1 49 49 ILE CB C 49 38.166 38.166 37.063 1.103 19860 4240 1 10 . 1 1 49 49 ILE H H 49 8.878 8.878 8.679 0.199 19860 4241 1 10 . 1 1 50 50 VAL N N 50 127.552 127.552 123.593 3.959 19860 4242 1 10 . 1 1 50 50 VAL HA H 50 5.289 5.289 5.580 -0.291 19860 4243 1 10 . 1 1 50 50 VAL C C 50 176.411 176.411 175.637 0.774 19860 4244 1 10 . 1 1 50 50 VAL CA C 50 60.499 60.499 60.019 0.480 19860 4245 1 10 . 1 1 50 50 VAL CB C 50 33.890 33.890 33.272 0.618 19860 4246 1 10 . 1 1 50 50 VAL H H 50 8.371 8.371 8.316 0.055 19860 4247 1 10 . 1 1 51 51 ILE N N 51 126.906 126.906 127.975 -1.069 19860 4248 1 10 . 1 1 51 51 ILE HA H 51 4.691 4.691 4.401 0.290 19860 4249 1 10 . 1 1 51 51 ILE C C 51 175.322 175.322 175.300 0.022 19860 4250 1 10 . 1 1 51 51 ILE CA C 51 59.439 59.439 60.343 -0.904 19860 4251 1 10 . 1 1 51 51 ILE CB C 51 41.189 41.189 39.371 1.818 19860 4252 1 10 . 1 1 51 51 ILE H H 51 9.314 9.314 9.095 0.219 19860 4253 1 10 . 1 1 52 52 LYS N N 52 123.523 123.523 128.015 -4.492 19860 4254 1 10 . 1 1 52 52 LYS HA H 52 4.686 4.686 4.671 0.015 19860 4255 1 10 . 1 1 52 52 LYS C C 52 178.237 178.237 177.989 0.248 19860 4256 1 10 . 1 1 52 52 LYS CA C 52 56.120 56.120 55.798 0.322 19860 4257 1 10 . 1 1 52 52 LYS CB C 52 33.392 33.392 33.874 -0.482 19860 4258 1 10 . 1 1 52 52 LYS H H 52 8.737 8.737 8.763 -0.026 19860 4259 1 10 . 1 1 53 53 MET N N 53 119.701 119.701 122.191 -2.490 19860 4260 1 10 . 1 1 53 53 MET HA H 53 3.908 3.908 4.007 -0.099 19860 4261 1 10 . 1 1 53 53 MET C C 53 177.401 177.401 178.228 -0.827 19860 4262 1 10 . 1 1 53 53 MET CA C 53 58.725 58.725 60.183 -1.458 19860 4263 1 10 . 1 1 53 53 MET CB C 53 33.383 33.383 32.249 1.134 19860 4264 1 10 . 1 1 53 53 MET H H 53 8.799 8.799 8.688 0.111 19860 4265 1 10 . 1 1 54 54 ASP N N 54 113.357 113.357 117.974 -4.617 19860 4266 1 10 . 1 1 54 54 ASP HA H 54 4.288 4.288 4.371 -0.083 19860 4267 1 10 . 1 1 54 54 ASP C C 54 176.649 176.649 177.350 -0.701 19860 4268 1 10 . 1 1 54 54 ASP CA C 54 56.682 56.682 56.569 0.112 19860 4269 1 10 . 1 1 54 54 ASP CB C 54 40.670 40.670 40.701 -0.031 19860 4270 1 10 . 1 1 54 54 ASP H H 54 8.262 8.262 8.562 -0.300 19860 4271 1 10 . 1 1 55 55 ASN N N 55 114.935 114.935 116.242 -1.307 19860 4272 1 10 . 1 1 55 55 ASN HA H 55 5.001 5.001 4.744 0.257 19860 4273 1 10 . 1 1 55 55 ASN C C 55 175.032 175.032 175.244 -0.212 19860 4274 1 10 . 1 1 55 55 ASN CA C 55 52.897 52.897 53.613 -0.716 19860 4275 1 10 . 1 1 55 55 ASN CB C 55 39.184 39.184 39.678 -0.495 19860 4276 1 10 . 1 1 55 55 ASN H H 55 7.971 7.971 7.910 0.061 19860 4277 1 10 . 1 1 56 56 LEU N N 56 120.385 120.385 123.012 -2.627 19860 4278 1 10 . 1 1 56 56 LEU HA H 56 4.488 4.488 4.590 -0.102 19860 4279 1 10 . 1 1 56 56 LEU C C 56 174.131 174.131 174.849 -0.718 19860 4280 1 10 . 1 1 56 56 LEU CA C 56 52.912 52.912 51.822 1.090 19860 4281 1 10 . 1 1 56 56 LEU CB C 56 41.958 41.958 41.426 0.532 19860 4282 1 10 . 1 1 56 56 LEU H H 56 7.331 7.331 7.637 -0.306 19860 4283 1 10 . 1 1 57 57 PRO HA H 57 4.617 4.617 4.562 0.055 19860 4284 1 10 . 1 1 57 57 PRO C C 57 178.627 178.627 177.777 0.850 19860 4285 1 10 . 1 1 57 57 PRO CA C 57 62.751 62.751 62.676 0.075 19860 4286 1 10 . 1 1 57 57 PRO CB C 57 32.718 32.718 32.399 0.319 19860 4287 1 10 . 1 1 58 58 ILE N N 58 125.295 125.295 119.841 5.454 19860 4288 1 10 . 1 1 58 58 ILE HA H 58 3.783 3.783 3.745 0.038 19860 4289 1 10 . 1 1 58 58 ILE C C 58 176.776 176.776 177.633 -0.857 19860 4290 1 10 . 1 1 58 58 ILE CA C 58 64.583 64.583 64.575 0.008 19860 4291 1 10 . 1 1 58 58 ILE CB C 58 37.959 37.959 37.271 0.688 19860 4292 1 10 . 1 1 58 58 ILE H H 58 8.882 8.882 8.422 0.460 19860 4293 1 10 . 1 1 59 59 GLU N N 59 118.869 118.869 120.057 -1.188 19860 4294 1 10 . 1 1 59 59 GLU HA H 59 4.254 4.254 4.028 0.226 19860 4295 1 10 . 1 1 59 59 GLU C C 59 179.370 179.370 179.180 0.190 19860 4296 1 10 . 1 1 59 59 GLU CA C 59 59.757 59.757 60.101 -0.344 19860 4297 1 10 . 1 1 59 59 GLU CB C 59 29.053 29.053 28.872 0.181 19860 4298 1 10 . 1 1 59 59 GLU H H 59 9.348 9.348 8.733 0.615 19860 4299 1 10 . 1 1 60 60 VAL N N 60 118.990 118.990 119.274 -0.284 19860 4300 1 10 . 1 1 60 60 VAL HA H 60 3.772 3.772 3.583 0.189 19860 4301 1 10 . 1 1 60 60 VAL C C 60 177.451 177.451 178.127 -0.676 19860 4302 1 10 . 1 1 60 60 VAL CA C 60 65.331 65.331 66.277 -0.946 19860 4303 1 10 . 1 1 60 60 VAL CB C 60 31.869 31.869 31.582 0.287 19860 4304 1 10 . 1 1 60 60 VAL H H 60 7.290 7.290 7.501 -0.211 19860 4305 1 10 . 1 1 61 61 LYS N N 61 120.824 120.824 119.432 1.392 19860 4306 1 10 . 1 1 61 61 LYS HA H 61 3.782 3.782 3.894 -0.112 19860 4307 1 10 . 1 1 61 61 LYS C C 61 179.444 179.444 178.993 0.451 19860 4308 1 10 . 1 1 61 61 LYS CA C 61 61.060 61.060 59.955 1.105 19860 4309 1 10 . 1 1 61 61 LYS CB C 61 32.196 32.196 31.966 0.230 19860 4310 1 10 . 1 1 61 61 LYS H H 61 8.043 8.043 8.087 -0.044 19860 4311 1 10 . 1 1 62 62 ASP N N 62 119.231 119.231 120.290 -1.059 19860 4312 1 10 . 1 1 62 62 ASP HA H 62 4.427 4.427 4.335 0.092 19860 4313 1 10 . 1 1 62 62 ASP C C 62 178.420 178.420 178.025 0.395 19860 4314 1 10 . 1 1 62 62 ASP CA C 62 57.851 57.851 57.364 0.487 19860 4315 1 10 . 1 1 62 62 ASP CB C 62 40.780 40.780 40.672 0.108 19860 4316 1 10 . 1 1 62 62 ASP H H 62 8.766 8.766 8.319 0.447 19860 4317 1 10 . 1 1 63 63 LYS N N 63 119.623 119.623 119.288 0.335 19860 4318 1 10 . 1 1 63 63 LYS HA H 63 4.025 4.025 4.039 -0.014 19860 4319 1 10 . 1 1 63 63 LYS C C 63 178.866 178.866 179.333 -0.467 19860 4320 1 10 . 1 1 63 63 LYS CA C 63 59.667 59.667 59.329 0.338 19860 4321 1 10 . 1 1 63 63 LYS CB C 63 32.929 32.929 32.507 0.422 19860 4322 1 10 . 1 1 63 63 LYS H H 63 7.391 7.391 7.641 -0.250 19860 4323 1 10 . 1 1 64 64 LEU N N 64 118.806 118.806 119.806 -1.000 19860 4324 1 10 . 1 1 64 64 LEU HA H 64 4.216 4.216 3.810 0.406 19860 4325 1 10 . 1 1 64 64 LEU C C 64 178.793 178.793 178.591 0.202 19860 4326 1 10 . 1 1 64 64 LEU CA C 64 58.011 58.011 57.677 0.334 19860 4327 1 10 . 1 1 64 64 LEU CB C 64 42.251 42.251 41.261 0.990 19860 4328 1 10 . 1 1 64 64 LEU H H 64 8.357 8.357 8.099 0.258 19860 4329 1 10 . 1 1 65 65 THR N N 65 115.102 115.102 115.273 -0.171 19860 4330 1 10 . 1 1 65 65 THR HA H 65 3.920 3.920 3.769 0.151 19860 4331 1 10 . 1 1 65 65 THR C C 65 176.410 176.410 176.555 -0.145 19860 4332 1 10 . 1 1 65 65 THR CA C 65 66.705 66.705 66.811 -0.106 19860 4333 1 10 . 1 1 65 65 THR CB C 65 68.876 68.876 68.273 0.603 19860 4334 1 10 . 1 1 65 65 THR H H 65 8.343 8.343 8.250 0.093 19860 4335 1 10 . 1 1 66 66 ARG N N 66 119.405 119.405 119.658 -0.253 19860 4336 1 10 . 1 1 66 66 ARG HA H 66 4.067 4.067 4.088 -0.021 19860 4337 1 10 . 1 1 66 66 ARG C C 66 177.988 177.988 178.039 -0.051 19860 4338 1 10 . 1 1 66 66 ARG CA C 66 58.961 58.961 59.074 -0.113 19860 4339 1 10 . 1 1 66 66 ARG CB C 66 30.302 30.302 29.945 0.357 19860 4340 1 10 . 1 1 66 66 ARG H H 66 7.832 7.832 7.873 -0.041 19860 4341 1 10 . 1 1 67 67 PHE N N 67 117.304 117.304 119.882 -2.578 19860 4342 1 10 . 1 1 67 67 PHE HA H 67 4.323 4.323 4.332 -0.009 19860 4343 1 10 . 1 1 67 67 PHE C C 67 177.141 177.141 175.997 1.144 19860 4344 1 10 . 1 1 67 67 PHE CA C 67 59.989 59.989 60.407 -0.418 19860 4345 1 10 . 1 1 67 67 PHE CB C 67 39.269 39.269 40.541 -1.272 19860 4346 1 10 . 1 1 67 67 PHE H H 67 8.190 8.190 7.488 0.702 19860 4347 1 10 . 1 1 68 68 PHE N N 68 114.297 114.297 112.259 2.038 19860 4348 1 10 . 1 1 68 68 PHE HA H 68 4.696 4.696 4.601 0.095 19860 4349 1 10 . 1 1 68 68 PHE C C 68 175.969 175.969 175.890 0.079 19860 4350 1 10 . 1 1 68 68 PHE CA C 68 59.112 59.112 56.673 2.439 19860 4351 1 10 . 1 1 68 68 PHE CB C 68 40.100 40.100 39.376 0.724 19860 4352 1 10 . 1 1 68 68 PHE H H 68 8.087 8.087 7.527 0.560 19860 4353 1 10 . 1 1 69 69 LEU N N 69 119.594 119.594 122.903 -3.309 19860 4354 1 10 . 1 1 69 69 LEU HA H 69 4.476 4.476 4.397 0.079 19860 4355 1 10 . 1 1 69 69 LEU C C 69 177.425 177.425 177.386 0.039 19860 4356 1 10 . 1 1 69 69 LEU CA C 69 55.805 55.805 57.469 -1.664 19860 4357 1 10 . 1 1 69 69 LEU CB C 69 41.399 41.399 42.535 -1.136 19860 4358 1 10 . 1 1 69 69 LEU H H 69 7.823 7.823 7.196 0.627 19860 4359 1 10 . 1 1 70 70 LEU N N 70 119.723 119.723 119.098 0.625 19860 4360 1 10 . 1 1 70 70 LEU HA H 70 4.341 4.341 4.371 -0.030 19860 4361 1 10 . 1 1 70 70 LEU C C 70 177.443 177.443 176.838 0.605 19860 4362 1 10 . 1 1 70 70 LEU CA C 70 55.288 55.288 54.346 0.942 19860 4363 1 10 . 1 1 70 70 LEU CB C 70 42.205 42.205 39.622 2.583 19860 4364 1 10 . 1 1 70 70 LEU H H 70 7.905 7.905 7.850 0.055 19860 4365 1 10 . 1 1 71 71 GLU N N 71 120.533 120.533 122.595 -2.062 19860 4366 1 10 . 1 1 71 71 GLU HA H 71 4.200 4.200 4.125 0.075 19860 4367 1 10 . 1 1 71 71 GLU C C 71 176.250 176.250 177.274 -1.024 19860 4368 1 10 . 1 1 71 71 GLU CA C 71 56.609 56.609 58.690 -2.081 19860 4369 1 10 . 1 1 71 71 GLU CB C 71 30.475 30.475 30.138 0.337 19860 4370 1 10 . 1 1 71 71 GLU H H 71 8.244 8.244 7.944 0.300 19860 4371 1 10 . 1 1 72 72 HIS N N 72 119.783 119.783 115.795 3.988 19860 4372 1 10 . 1 1 72 72 HIS HA H 72 4.623 4.623 4.745 -0.122 19860 4373 1 10 . 1 1 72 72 HIS C C 72 174.645 174.645 173.864 0.781 19860 4374 1 10 . 1 1 72 72 HIS CA C 72 55.737 55.737 55.925 -0.188 19860 4375 1 10 . 1 1 72 72 HIS CB C 72 29.901 29.901 30.438 -0.537 19860 4376 1 10 . 1 1 72 72 HIS H H 72 8.403 8.403 8.190 0.213 19860 4377 1 10 . 1 1 73 73 HIS N N 73 120.199 120.199 119.508 0.691 19860 4378 1 10 . 1 1 73 73 HIS HA H 73 4.625 4.625 4.589 0.036 19860 4379 1 10 . 1 1 73 73 HIS C C 73 174.552 174.552 173.105 1.447 19860 4380 1 10 . 1 1 73 73 HIS CA C 73 55.754 55.754 56.208 -0.454 19860 4381 1 10 . 1 1 73 73 HIS CB C 73 29.976 29.976 32.131 -2.155 19860 4382 1 10 . 1 1 73 73 HIS H H 73 8.539 8.539 8.236 0.303 19860 4383 1 10 . 1 1 74 74 HIS N N 74 120.457 120.457 124.620 -4.163 19860 4384 1 10 . 1 1 74 74 HIS HA H 74 4.655 4.655 4.708 -0.053 19860 4385 1 10 . 1 1 74 74 HIS C C 74 174.638 174.638 173.627 1.011 19860 4386 1 10 . 1 1 74 74 HIS CA C 74 55.771 55.771 54.871 0.900 19860 4387 1 10 . 1 1 74 74 HIS CB C 74 29.916 29.916 31.870 -1.954 19860 4388 1 10 . 1 1 74 74 HIS H H 74 8.681 8.681 8.462 0.219 19860 4389 1 10 . 1 1 75 75 HIS N N 75 120.782 120.782 120.323 0.459 19860 4390 1 10 . 1 1 75 75 HIS HA H 75 4.671 4.671 4.735 -0.064 19860 4391 1 10 . 1 1 75 75 HIS C C 75 174.525 174.525 173.766 0.759 19860 4392 1 10 . 1 1 75 75 HIS CA C 75 55.758 55.758 54.710 1.048 19860 4393 1 10 . 1 1 75 75 HIS CB C 75 29.934 29.934 31.364 -1.430 19860 4394 1 10 . 1 1 75 75 HIS H H 75 8.755 8.755 7.947 0.808 19860 4395 1 10 . 1 1 76 76 HIS N N 76 120.737 120.737 116.328 4.409 19860 4396 1 10 . 1 1 76 76 HIS HA H 76 4.666 4.666 4.612 0.054 19860 4397 1 10 . 1 1 76 76 HIS C C 76 173.873 173.873 173.028 0.845 19860 4398 1 10 . 1 1 76 76 HIS CA C 76 55.921 55.921 55.455 0.466 19860 4399 1 10 . 1 1 76 76 HIS CB C 76 29.848 29.848 30.666 -0.818 19860 4400 1 10 . 1 1 76 76 HIS H H 76 8.693 8.693 8.567 0.126 19860 4401 1 11 . 1 1 2 2 LEU HA H 2 4.435 4.435 4.846 -0.411 19860 4402 1 11 . 1 1 2 2 LEU C C 2 176.773 176.773 175.673 1.100 19860 4403 1 11 . 1 1 2 2 LEU CA C 2 55.299 55.299 54.784 0.515 19860 4404 1 11 . 1 1 2 2 LEU CB C 2 42.529 42.529 42.822 -0.293 19860 4405 1 11 . 1 1 3 3 LYS N N 3 123.220 123.220 125.006 -1.786 19860 4406 1 11 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.398 -0.073 19860 4407 1 11 . 1 1 3 3 LYS C C 3 176.224 176.224 175.447 0.777 19860 4408 1 11 . 1 1 3 3 LYS CA C 3 56.344 56.344 55.576 0.768 19860 4409 1 11 . 1 1 3 3 LYS CB C 3 33.335 33.335 33.709 -0.374 19860 4410 1 11 . 1 1 3 3 LYS H H 3 8.520 8.520 8.501 0.019 19860 4411 1 11 . 1 1 4 4 HIS N N 4 119.727 119.727 120.447 -0.720 19860 4412 1 11 . 1 1 4 4 HIS HA H 4 4.721 4.721 4.533 0.188 19860 4413 1 11 . 1 1 4 4 HIS C C 4 175.318 175.318 174.319 0.999 19860 4414 1 11 . 1 1 4 4 HIS CA C 4 55.941 55.941 55.830 0.111 19860 4415 1 11 . 1 1 4 4 HIS CB C 4 30.636 30.636 30.229 0.407 19860 4416 1 11 . 1 1 4 4 HIS H H 4 8.486 8.486 8.728 -0.242 19860 4417 1 11 . 1 1 5 5 GLY N N 5 110.318 110.318 111.913 -1.595 19860 4418 1 11 . 1 1 5 5 GLY C C 5 172.966 172.966 172.365 0.601 19860 4419 1 11 . 1 1 5 5 GLY CA C 5 45.146 45.146 44.885 0.261 19860 4420 1 11 . 1 1 5 5 GLY H H 5 8.602 8.602 7.981 0.621 19860 4421 1 11 . 1 1 6 6 LYS N N 6 120.808 120.808 120.609 0.199 19860 4422 1 11 . 1 1 6 6 LYS HA H 6 4.438 4.438 4.705 -0.267 19860 4423 1 11 . 1 1 6 6 LYS C C 6 175.168 175.168 175.659 -0.491 19860 4424 1 11 . 1 1 6 6 LYS CA C 6 56.179 56.179 53.946 2.233 19860 4425 1 11 . 1 1 6 6 LYS CB C 6 34.277 34.277 34.970 -0.693 19860 4426 1 11 . 1 1 6 6 LYS H H 6 8.275 8.275 8.160 0.115 19860 4427 1 11 . 1 1 7 7 TYR N N 7 118.666 118.666 121.559 -2.893 19860 4428 1 11 . 1 1 7 7 TYR HA H 7 5.513 5.513 5.179 0.334 19860 4429 1 11 . 1 1 7 7 TYR C C 7 176.004 176.004 175.977 0.027 19860 4430 1 11 . 1 1 7 7 TYR CA C 7 56.971 56.971 57.832 -0.861 19860 4431 1 11 . 1 1 7 7 TYR CB C 7 41.032 41.032 38.596 2.436 19860 4432 1 11 . 1 1 7 7 TYR H H 7 8.351 8.351 8.635 -0.284 19860 4433 1 11 . 1 1 8 8 VAL N N 8 115.920 115.920 118.754 -2.834 19860 4434 1 11 . 1 1 8 8 VAL HA H 8 4.860 4.860 4.516 0.344 19860 4435 1 11 . 1 1 8 8 VAL C C 8 173.220 173.220 173.390 -0.170 19860 4436 1 11 . 1 1 8 8 VAL CA C 8 59.694 59.694 59.229 0.465 19860 4437 1 11 . 1 1 8 8 VAL CB C 8 35.246 35.246 34.847 0.399 19860 4438 1 11 . 1 1 8 8 VAL H H 8 9.057 9.057 8.943 0.114 19860 4439 1 11 . 1 1 9 9 TYR N N 9 118.786 118.786 117.765 1.021 19860 4440 1 11 . 1 1 9 9 TYR HA H 9 5.515 5.515 5.457 0.058 19860 4441 1 11 . 1 1 9 9 TYR C C 9 175.072 175.072 175.918 -0.846 19860 4442 1 11 . 1 1 9 9 TYR CA C 9 56.576 56.576 56.006 0.570 19860 4443 1 11 . 1 1 9 9 TYR CB C 9 41.532 41.532 41.606 -0.074 19860 4444 1 11 . 1 1 9 9 TYR H H 9 9.117 9.117 8.466 0.651 19860 4445 1 11 . 1 1 10 10 ILE N N 10 121.376 121.376 122.781 -1.405 19860 4446 1 11 . 1 1 10 10 ILE HA H 10 4.887 4.887 4.534 0.353 19860 4447 1 11 . 1 1 10 10 ILE C C 10 176.044 176.044 176.137 -0.093 19860 4448 1 11 . 1 1 10 10 ILE CA C 10 58.948 58.948 58.535 0.413 19860 4449 1 11 . 1 1 10 10 ILE CB C 10 38.537 38.537 37.740 0.797 19860 4450 1 11 . 1 1 10 10 ILE H H 10 9.514 9.514 9.062 0.452 19860 4451 1 11 . 1 1 11 11 ASP N N 11 126.501 126.501 128.071 -1.570 19860 4452 1 11 . 1 1 11 11 ASP HA H 11 4.390 4.390 3.935 0.455 19860 4453 1 11 . 1 1 11 11 ASP C C 11 175.850 175.850 176.399 -0.549 19860 4454 1 11 . 1 1 11 11 ASP CA C 11 53.377 53.377 53.735 -0.358 19860 4455 1 11 . 1 1 11 11 ASP CB C 11 41.808 41.808 40.430 1.378 19860 4456 1 11 . 1 1 11 11 ASP H H 11 8.676 8.676 8.806 -0.130 19860 4457 1 11 . 1 1 12 12 LEU N N 12 127.505 127.505 125.923 1.582 19860 4458 1 11 . 1 1 12 12 LEU HA H 12 4.319 4.319 3.870 0.449 19860 4459 1 11 . 1 1 12 12 LEU C C 12 176.132 176.132 177.470 -1.338 19860 4460 1 11 . 1 1 12 12 LEU CA C 12 55.439 55.439 55.878 -0.439 19860 4461 1 11 . 1 1 12 12 LEU CB C 12 40.312 40.312 42.083 -1.771 19860 4462 1 11 . 1 1 12 12 LEU H H 12 7.692 7.692 7.576 0.116 19860 4463 1 11 . 1 1 13 13 ASN N N 13 114.351 114.351 112.777 1.574 19860 4464 1 11 . 1 1 13 13 ASN HA H 13 4.391 4.391 4.166 0.225 19860 4465 1 11 . 1 1 13 13 ASN C C 13 174.440 174.440 175.122 -0.682 19860 4466 1 11 . 1 1 13 13 ASN CA C 13 54.482 54.482 54.752 -0.270 19860 4467 1 11 . 1 1 13 13 ASN CB C 13 37.861 37.861 37.163 0.698 19860 4468 1 11 . 1 1 13 13 ASN H H 13 9.187 9.187 7.826 1.361 19860 4469 1 11 . 1 1 14 14 ASN N N 14 115.057 115.057 117.452 -2.395 19860 4470 1 11 . 1 1 14 14 ASN HA H 14 4.779 4.779 4.797 -0.018 19860 4471 1 11 . 1 1 14 14 ASN C C 14 176.213 176.213 175.962 0.251 19860 4472 1 11 . 1 1 14 14 ASN CA C 14 52.149 52.149 53.147 -0.998 19860 4473 1 11 . 1 1 14 14 ASN CB C 14 38.727 38.727 38.156 0.571 19860 4474 1 11 . 1 1 14 14 ASN H H 14 7.737 7.737 7.976 -0.239 19860 4475 1 11 . 1 1 15 15 GLY N N 15 110.453 110.453 106.824 3.629 19860 4476 1 11 . 1 1 15 15 GLY C C 15 172.968 172.968 172.983 -0.015 19860 4477 1 11 . 1 1 15 15 GLY CA C 15 45.136 45.136 45.053 0.083 19860 4478 1 11 . 1 1 15 15 GLY H H 15 8.744 8.744 8.312 0.432 19860 4479 1 11 . 1 1 16 16 LYS N N 16 116.557 116.557 117.366 -0.809 19860 4480 1 11 . 1 1 16 16 LYS HA H 16 4.992 4.992 5.027 -0.035 19860 4481 1 11 . 1 1 16 16 LYS C C 16 175.214 175.214 174.140 1.074 19860 4482 1 11 . 1 1 16 16 LYS CA C 16 54.653 54.653 54.800 -0.147 19860 4483 1 11 . 1 1 16 16 LYS CB C 16 35.359 35.359 35.631 -0.272 19860 4484 1 11 . 1 1 16 16 LYS H H 16 7.559 7.559 7.534 0.025 19860 4485 1 11 . 1 1 17 17 TYR N N 17 117.020 117.020 117.370 -0.350 19860 4486 1 11 . 1 1 17 17 TYR HA H 17 5.551 5.551 4.791 0.760 19860 4487 1 11 . 1 1 17 17 TYR C C 17 175.491 175.491 174.229 1.262 19860 4488 1 11 . 1 1 17 17 TYR CA C 17 56.255 56.255 57.133 -0.878 19860 4489 1 11 . 1 1 17 17 TYR CB C 17 42.270 42.270 42.666 -0.397 19860 4490 1 11 . 1 1 17 17 TYR H H 17 8.577 8.577 8.658 -0.081 19860 4491 1 11 . 1 1 18 18 VAL N N 18 121.032 121.032 121.360 -0.328 19860 4492 1 11 . 1 1 18 18 VAL HA H 18 5.027 5.027 4.199 0.828 19860 4493 1 11 . 1 1 18 18 VAL C C 18 174.046 174.046 174.026 0.020 19860 4494 1 11 . 1 1 18 18 VAL CA C 18 59.711 59.711 60.471 -0.760 19860 4495 1 11 . 1 1 18 18 VAL CB C 18 35.076 35.076 34.394 0.682 19860 4496 1 11 . 1 1 18 18 VAL H H 18 8.829 8.829 8.343 0.486 19860 4497 1 11 . 1 1 19 19 LYS N N 19 130.251 130.251 130.190 0.061 19860 4498 1 11 . 1 1 19 19 LYS HA H 19 4.055 4.055 4.720 -0.665 19860 4499 1 11 . 1 1 19 19 LYS C C 19 175.628 175.628 174.564 1.064 19860 4500 1 11 . 1 1 19 19 LYS CA C 19 56.975 56.975 55.233 1.742 19860 4501 1 11 . 1 1 19 19 LYS CB C 19 33.380 33.380 33.189 0.191 19860 4502 1 11 . 1 1 19 19 LYS H H 19 8.388 8.388 8.324 0.064 19860 4503 1 11 . 1 1 20 20 VAL N N 20 127.530 127.530 123.111 4.419 19860 4504 1 11 . 1 1 20 20 VAL HA H 20 4.946 4.946 4.450 0.496 19860 4505 1 11 . 1 1 20 20 VAL C C 20 173.581 173.581 173.675 -0.094 19860 4506 1 11 . 1 1 20 20 VAL CA C 20 60.483 60.483 58.932 1.551 19860 4507 1 11 . 1 1 20 20 VAL CB C 20 35.665 35.665 35.890 -0.225 19860 4508 1 11 . 1 1 20 20 VAL H H 20 9.428 9.428 8.697 0.731 19860 4509 1 11 . 1 1 21 21 ARG N N 21 125.804 125.804 127.695 -1.891 19860 4510 1 11 . 1 1 21 21 ARG HA H 21 4.716 4.716 4.772 -0.056 19860 4511 1 11 . 1 1 21 21 ARG C C 21 174.905 174.905 175.249 -0.344 19860 4512 1 11 . 1 1 21 21 ARG CA C 21 54.864 54.864 54.989 -0.125 19860 4513 1 11 . 1 1 21 21 ARG CB C 21 32.881 32.881 30.797 2.084 19860 4514 1 11 . 1 1 21 21 ARG H H 21 9.084 9.084 8.659 0.425 19860 4515 1 11 . 1 1 22 22 ILE N N 22 124.167 124.167 127.251 -3.084 19860 4516 1 11 . 1 1 22 22 ILE HA H 22 4.624 4.624 4.062 0.562 19860 4517 1 11 . 1 1 22 22 ILE C C 22 175.887 175.887 174.554 1.333 19860 4518 1 11 . 1 1 22 22 ILE CA C 22 59.717 59.717 58.929 0.788 19860 4519 1 11 . 1 1 22 22 ILE CB C 22 38.699 38.699 36.455 2.244 19860 4520 1 11 . 1 1 22 22 ILE H H 22 8.554 8.554 9.026 -0.472 19860 4521 1 11 . 1 1 23 23 LEU N N 23 128.981 128.981 129.560 -0.579 19860 4522 1 11 . 1 1 23 23 LEU HA H 23 4.663 4.663 4.374 0.289 19860 4523 1 11 . 1 1 23 23 LEU C C 23 176.174 176.174 175.432 0.742 19860 4524 1 11 . 1 1 23 23 LEU CA C 23 53.897 53.897 54.212 -0.315 19860 4525 1 11 . 1 1 23 23 LEU CB C 23 43.556 43.556 41.317 2.239 19860 4526 1 11 . 1 1 23 23 LEU H H 23 8.835 8.835 8.825 0.010 19860 4527 1 11 . 1 1 24 24 LYS N N 24 122.797 122.797 126.678 -3.881 19860 4528 1 11 . 1 1 24 24 LYS HA H 24 4.568 4.568 4.552 0.016 19860 4529 1 11 . 1 1 24 24 LYS C C 24 176.407 176.407 175.761 0.646 19860 4530 1 11 . 1 1 24 24 LYS CA C 24 55.808 55.808 54.854 0.954 19860 4531 1 11 . 1 1 24 24 LYS CB C 24 34.082 34.082 33.627 0.455 19860 4532 1 11 . 1 1 24 24 LYS H H 24 8.566 8.566 8.756 -0.190 19860 4533 1 11 . 1 1 25 25 SER N N 25 118.453 118.453 125.236 -6.783 19860 4534 1 11 . 1 1 25 25 SER HA H 25 4.477 4.477 4.730 -0.253 19860 4535 1 11 . 1 1 25 25 SER C C 25 175.038 175.038 174.664 0.374 19860 4536 1 11 . 1 1 25 25 SER CA C 25 58.146 58.146 58.383 -0.237 19860 4537 1 11 . 1 1 25 25 SER CB C 25 63.977 63.977 62.614 1.363 19860 4538 1 11 . 1 1 25 25 SER H H 25 8.668 8.668 9.082 -0.414 19860 4539 1 11 . 1 1 26 26 ARG N N 26 123.008 123.008 125.152 -2.144 19860 4540 1 11 . 1 1 26 26 ARG HA H 26 4.284 4.284 4.485 -0.201 19860 4541 1 11 . 1 1 26 26 ARG C C 26 176.640 176.640 177.150 -0.510 19860 4542 1 11 . 1 1 26 26 ARG CA C 26 57.171 57.171 57.513 -0.342 19860 4543 1 11 . 1 1 26 26 ARG CB C 26 30.748 30.748 30.158 0.590 19860 4544 1 11 . 1 1 26 26 ARG H H 26 8.667 8.667 7.918 0.749 19860 4545 1 11 . 1 1 27 27 ASP N N 27 118.281 118.281 118.111 0.170 19860 4546 1 11 . 1 1 27 27 ASP HA H 27 4.598 4.598 4.423 0.175 19860 4547 1 11 . 1 1 27 27 ASP C C 27 176.028 176.028 176.526 -0.498 19860 4548 1 11 . 1 1 27 27 ASP CA C 27 54.657 54.657 56.295 -1.638 19860 4549 1 11 . 1 1 27 27 ASP CB C 27 41.416 41.416 40.625 0.791 19860 4550 1 11 . 1 1 27 27 ASP H H 27 8.246 8.246 8.259 -0.013 19860 4551 1 11 . 1 1 28 28 ASP N N 28 118.646 118.646 118.707 -0.061 19860 4552 1 11 . 1 1 28 28 ASP HA H 28 4.563 4.563 4.578 -0.015 19860 4553 1 11 . 1 1 28 28 ASP C C 28 176.165 176.165 176.089 0.076 19860 4554 1 11 . 1 1 28 28 ASP CA C 28 54.822 54.822 54.872 -0.050 19860 4555 1 11 . 1 1 28 28 ASP CB C 28 41.150 41.150 42.606 -1.456 19860 4556 1 11 . 1 1 28 28 ASP H H 28 8.034 8.034 7.954 0.080 19860 4557 1 11 . 1 1 29 29 ASN N N 29 117.519 117.519 115.231 2.288 19860 4558 1 11 . 1 1 29 29 ASN HA H 29 4.734 4.734 4.685 0.049 19860 4559 1 11 . 1 1 29 29 ASN C C 29 175.116 175.116 173.392 1.724 19860 4560 1 11 . 1 1 29 29 ASN CA C 29 53.951 53.951 54.004 -0.053 19860 4561 1 11 . 1 1 29 29 ASN CB C 29 38.779 38.779 39.285 -0.506 19860 4562 1 11 . 1 1 29 29 ASN H H 29 8.473 8.473 8.456 0.017 19860 4563 1 11 . 1 1 30 30 SER N N 30 114.910 114.910 116.858 -1.948 19860 4564 1 11 . 1 1 30 30 SER HA H 30 4.493 4.493 4.737 -0.244 19860 4565 1 11 . 1 1 30 30 SER C C 30 174.235 174.235 172.677 1.558 19860 4566 1 11 . 1 1 30 30 SER CA C 30 58.669 58.669 58.680 -0.011 19860 4567 1 11 . 1 1 30 30 SER CB C 30 64.403 64.403 64.076 0.327 19860 4568 1 11 . 1 1 30 30 SER H H 30 8.206 8.206 8.425 -0.219 19860 4569 1 11 . 1 1 31 31 VAL N N 31 121.640 121.640 124.567 -2.927 19860 4570 1 11 . 1 1 31 31 VAL HA H 31 4.090 4.090 4.157 -0.067 19860 4571 1 11 . 1 1 31 31 VAL C C 31 175.873 175.873 174.646 1.227 19860 4572 1 11 . 1 1 31 31 VAL CA C 31 62.939 62.939 62.029 0.910 19860 4573 1 11 . 1 1 31 31 VAL CB C 31 32.878 32.878 32.262 0.616 19860 4574 1 11 . 1 1 31 31 VAL H H 31 8.242 8.242 7.891 0.351 19860 4575 1 11 . 1 1 32 32 GLU N N 32 125.144 125.144 128.593 -3.449 19860 4576 1 11 . 1 1 32 32 GLU HA H 32 4.417 4.417 4.990 -0.573 19860 4577 1 11 . 1 1 32 32 GLU C C 32 175.532 175.532 175.620 -0.088 19860 4578 1 11 . 1 1 32 32 GLU CA C 32 56.886 56.886 55.208 1.678 19860 4579 1 11 . 1 1 32 32 GLU CB C 32 31.059 31.059 30.093 0.966 19860 4580 1 11 . 1 1 32 32 GLU H H 32 8.679 8.679 8.641 0.038 19860 4581 1 11 . 1 1 33 33 LYS N N 33 120.222 120.222 126.016 -5.794 19860 4582 1 11 . 1 1 33 33 LYS HA H 33 4.574 4.574 4.582 -0.008 19860 4583 1 11 . 1 1 33 33 LYS C C 33 174.194 174.194 175.080 -0.886 19860 4584 1 11 . 1 1 33 33 LYS CA C 33 55.324 55.324 54.946 0.378 19860 4585 1 11 . 1 1 33 33 LYS CB C 33 35.258 35.258 34.387 0.871 19860 4586 1 11 . 1 1 33 33 LYS H H 33 8.229 8.229 8.661 -0.432 19860 4587 1 11 . 1 1 34 34 TYR N N 34 121.014 121.014 121.840 -0.826 19860 4588 1 11 . 1 1 34 34 TYR HA H 34 4.910 4.910 4.697 0.213 19860 4589 1 11 . 1 1 34 34 TYR C C 34 175.667 175.667 176.841 -1.174 19860 4590 1 11 . 1 1 34 34 TYR CA C 34 56.984 56.984 57.835 -0.851 19860 4591 1 11 . 1 1 34 34 TYR CB C 34 40.036 40.036 39.640 0.396 19860 4592 1 11 . 1 1 34 34 TYR H H 34 8.552 8.552 8.585 -0.033 19860 4593 1 11 . 1 1 35 35 VAL N N 35 124.624 124.624 121.973 2.651 19860 4594 1 11 . 1 1 35 35 VAL HA H 35 4.301 4.301 3.975 0.326 19860 4595 1 11 . 1 1 35 35 VAL C C 35 175.490 175.490 177.008 -1.518 19860 4596 1 11 . 1 1 35 35 VAL CA C 35 61.869 61.869 62.412 -0.543 19860 4597 1 11 . 1 1 35 35 VAL CB C 35 33.510 33.510 33.469 0.041 19860 4598 1 11 . 1 1 35 35 VAL H H 35 9.337 9.337 8.294 1.043 19860 4599 1 11 . 1 1 36 36 LEU N N 36 127.814 127.814 125.460 2.354 19860 4600 1 11 . 1 1 36 36 LEU HA H 36 4.326 4.326 4.519 -0.193 19860 4601 1 11 . 1 1 36 36 LEU C C 36 177.355 177.355 176.591 0.764 19860 4602 1 11 . 1 1 36 36 LEU CA C 36 56.612 56.612 56.596 0.016 19860 4603 1 11 . 1 1 36 36 LEU CB C 36 41.899 41.899 41.520 0.379 19860 4604 1 11 . 1 1 36 36 LEU H H 36 8.845 8.845 8.608 0.237 19860 4605 1 11 . 1 1 37 37 THR N N 37 112.016 112.016 113.652 -1.636 19860 4606 1 11 . 1 1 37 37 THR HA H 37 4.904 4.904 4.492 0.412 19860 4607 1 11 . 1 1 37 37 THR C C 37 173.228 173.228 174.876 -1.648 19860 4608 1 11 . 1 1 37 37 THR CA C 37 61.023 61.023 62.231 -1.208 19860 4609 1 11 . 1 1 37 37 THR CB C 37 70.829 70.829 69.650 1.179 19860 4610 1 11 . 1 1 37 37 THR H H 37 7.374 7.374 7.811 -0.437 19860 4611 1 11 . 1 1 38 38 SER N N 38 111.049 111.049 120.640 -9.591 19860 4612 1 11 . 1 1 38 38 SER HA H 38 4.635 4.635 4.617 0.018 19860 4613 1 11 . 1 1 38 38 SER C C 38 174.606 174.606 173.592 1.014 19860 4614 1 11 . 1 1 38 38 SER CA C 38 57.957 57.957 56.858 1.099 19860 4615 1 11 . 1 1 38 38 SER CB C 38 63.849 63.849 63.760 0.089 19860 4616 1 11 . 1 1 38 38 SER H H 38 8.387 8.387 8.550 -0.164 19860 4617 1 11 . 1 1 39 39 HIS N N 39 122.230 122.230 119.593 2.637 19860 4618 1 11 . 1 1 39 39 HIS HA H 39 4.768 4.768 4.187 0.581 19860 4619 1 11 . 1 1 39 39 HIS C C 39 173.143 173.143 173.954 -0.811 19860 4620 1 11 . 1 1 39 39 HIS CA C 39 56.328 56.328 55.863 0.465 19860 4621 1 11 . 1 1 39 39 HIS CB C 39 29.938 29.938 29.772 0.166 19860 4622 1 11 . 1 1 39 39 HIS H H 39 8.424 8.424 7.742 0.682 19860 4623 1 11 . 1 1 40 40 VAL N N 40 126.582 126.582 125.207 1.375 19860 4624 1 11 . 1 1 40 40 VAL HA H 40 4.915 4.915 4.198 0.717 19860 4625 1 11 . 1 1 40 40 VAL C C 40 175.763 175.763 175.846 -0.083 19860 4626 1 11 . 1 1 40 40 VAL CA C 40 60.612 60.612 61.426 -0.814 19860 4627 1 11 . 1 1 40 40 VAL CB C 40 34.085 34.085 33.381 0.704 19860 4628 1 11 . 1 1 40 40 VAL H H 40 8.364 8.364 8.462 -0.098 19860 4629 1 11 . 1 1 41 41 SER N N 41 121.067 121.067 118.608 2.459 19860 4630 1 11 . 1 1 41 41 SER HA H 41 4.947 4.947 4.869 0.078 19860 4631 1 11 . 1 1 41 41 SER C C 41 174.505 174.505 174.026 0.479 19860 4632 1 11 . 1 1 41 41 SER CA C 41 57.001 57.001 56.394 0.607 19860 4633 1 11 . 1 1 41 41 SER CB C 41 65.504 65.504 64.978 0.526 19860 4634 1 11 . 1 1 41 41 SER H H 41 9.297 9.297 8.917 0.380 19860 4635 1 11 . 1 1 42 42 LYS N N 42 123.812 123.812 124.776 -0.964 19860 4636 1 11 . 1 1 42 42 LYS HA H 42 4.905 4.905 4.301 0.604 19860 4637 1 11 . 1 1 42 42 LYS C C 42 175.037 175.037 175.412 -0.375 19860 4638 1 11 . 1 1 42 42 LYS CA C 42 56.600 56.600 56.242 0.357 19860 4639 1 11 . 1 1 42 42 LYS CB C 42 32.827 32.827 32.550 0.277 19860 4640 1 11 . 1 1 42 42 LYS H H 42 8.962 8.962 8.658 0.304 19860 4641 1 11 . 1 1 43 43 ASN N N 43 115.779 115.779 117.800 -2.021 19860 4642 1 11 . 1 1 43 43 ASN HA H 43 4.906 4.906 4.746 0.160 19860 4643 1 11 . 1 1 43 43 ASN C C 43 173.479 173.479 174.500 -1.021 19860 4644 1 11 . 1 1 43 43 ASN CA C 43 51.840 51.840 52.179 -0.339 19860 4645 1 11 . 1 1 43 43 ASN CB C 43 40.763 40.763 40.620 0.143 19860 4646 1 11 . 1 1 43 43 ASN H H 43 8.053 8.053 7.313 0.740 19860 4647 1 11 . 1 1 44 44 ARG N N 44 124.471 124.471 121.247 3.224 19860 4648 1 11 . 1 1 44 44 ARG HA H 44 3.217 3.217 4.154 -0.937 19860 4649 1 11 . 1 1 44 44 ARG C C 44 173.869 173.869 173.428 0.441 19860 4650 1 11 . 1 1 44 44 ARG CA C 44 54.034 54.034 53.955 0.079 19860 4651 1 11 . 1 1 44 44 ARG CB C 44 29.917 29.917 30.259 -0.341 19860 4652 1 11 . 1 1 44 44 ARG H H 44 8.565 8.565 8.378 0.187 19860 4653 1 11 . 1 1 45 45 PRO HA H 45 4.123 4.123 4.192 -0.069 19860 4654 1 11 . 1 1 45 45 PRO C C 45 176.434 176.434 175.725 0.709 19860 4655 1 11 . 1 1 45 45 PRO CA C 45 62.292 62.292 62.141 0.151 19860 4656 1 11 . 1 1 45 45 PRO CB C 45 32.110 32.110 31.756 0.354 19860 4657 1 11 . 1 1 46 46 LYS N N 46 122.529 122.529 123.456 -0.927 19860 4658 1 11 . 1 1 46 46 LYS HA H 46 4.110 4.110 4.090 0.020 19860 4659 1 11 . 1 1 46 46 LYS C C 46 176.931 176.931 176.533 0.398 19860 4660 1 11 . 1 1 46 46 LYS CA C 46 57.000 57.000 57.780 -0.780 19860 4661 1 11 . 1 1 46 46 LYS CB C 46 33.095 33.095 33.092 0.003 19860 4662 1 11 . 1 1 46 46 LYS H H 46 8.470 8.470 8.478 -0.008 19860 4663 1 11 . 1 1 47 47 ASN N N 47 117.122 117.122 118.854 -1.732 19860 4664 1 11 . 1 1 47 47 ASN HA H 47 4.589 4.589 4.797 -0.208 19860 4665 1 11 . 1 1 47 47 ASN C C 47 174.011 174.011 173.780 0.231 19860 4666 1 11 . 1 1 47 47 ASN CA C 47 53.493 53.493 52.990 0.503 19860 4667 1 11 . 1 1 47 47 ASN CB C 47 37.868 37.868 37.962 -0.094 19860 4668 1 11 . 1 1 47 47 ASN H H 47 8.745 8.745 8.327 0.418 19860 4669 1 11 . 1 1 48 48 ALA N N 48 119.908 119.908 123.240 -3.332 19860 4670 1 11 . 1 1 48 48 ALA HA H 48 4.609 4.609 4.518 0.091 19860 4671 1 11 . 1 1 48 48 ALA C C 48 176.506 176.506 175.831 0.675 19860 4672 1 11 . 1 1 48 48 ALA CA C 48 51.136 51.136 51.873 -0.737 19860 4673 1 11 . 1 1 48 48 ALA CB C 48 22.389 22.389 21.401 0.988 19860 4674 1 11 . 1 1 48 48 ALA H H 48 7.394 7.394 7.665 -0.271 19860 4675 1 11 . 1 1 49 49 ILE N N 49 123.192 123.192 122.269 0.923 19860 4676 1 11 . 1 1 49 49 ILE HA H 49 4.140 4.140 4.349 -0.209 19860 4677 1 11 . 1 1 49 49 ILE C C 49 174.731 174.731 175.167 -0.436 19860 4678 1 11 . 1 1 49 49 ILE CA C 49 61.597 61.597 60.511 1.086 19860 4679 1 11 . 1 1 49 49 ILE CB C 49 38.166 38.166 36.685 1.480 19860 4680 1 11 . 1 1 49 49 ILE H H 49 8.878 8.878 8.743 0.135 19860 4681 1 11 . 1 1 50 50 VAL N N 50 127.552 127.552 124.619 2.933 19860 4682 1 11 . 1 1 50 50 VAL HA H 50 5.289 5.289 5.640 -0.351 19860 4683 1 11 . 1 1 50 50 VAL C C 50 176.411 176.411 175.387 1.024 19860 4684 1 11 . 1 1 50 50 VAL CA C 50 60.499 60.499 59.757 0.742 19860 4685 1 11 . 1 1 50 50 VAL CB C 50 33.890 33.890 33.883 0.007 19860 4686 1 11 . 1 1 50 50 VAL H H 50 8.371 8.371 8.126 0.245 19860 4687 1 11 . 1 1 51 51 ILE N N 51 126.906 126.906 127.155 -0.249 19860 4688 1 11 . 1 1 51 51 ILE HA H 51 4.691 4.691 4.430 0.261 19860 4689 1 11 . 1 1 51 51 ILE C C 51 175.322 175.322 175.219 0.103 19860 4690 1 11 . 1 1 51 51 ILE CA C 51 59.439 59.439 60.181 -0.742 19860 4691 1 11 . 1 1 51 51 ILE CB C 51 41.189 41.189 40.859 0.330 19860 4692 1 11 . 1 1 51 51 ILE H H 51 9.314 9.314 8.721 0.593 19860 4693 1 11 . 1 1 52 52 LYS N N 52 123.523 123.523 127.310 -3.787 19860 4694 1 11 . 1 1 52 52 LYS HA H 52 4.686 4.686 4.312 0.374 19860 4695 1 11 . 1 1 52 52 LYS C C 52 178.237 178.237 177.945 0.292 19860 4696 1 11 . 1 1 52 52 LYS CA C 52 56.120 56.120 56.565 -0.445 19860 4697 1 11 . 1 1 52 52 LYS CB C 52 33.392 33.392 33.357 0.035 19860 4698 1 11 . 1 1 52 52 LYS H H 52 8.737 8.737 8.788 -0.051 19860 4699 1 11 . 1 1 53 53 MET N N 53 119.701 119.701 124.405 -4.704 19860 4700 1 11 . 1 1 53 53 MET HA H 53 3.908 3.908 4.005 -0.097 19860 4701 1 11 . 1 1 53 53 MET C C 53 177.401 177.401 178.229 -0.828 19860 4702 1 11 . 1 1 53 53 MET CA C 53 58.725 58.725 59.997 -1.272 19860 4703 1 11 . 1 1 53 53 MET CB C 53 33.383 33.383 32.249 1.134 19860 4704 1 11 . 1 1 53 53 MET H H 53 8.799 8.799 8.236 0.563 19860 4705 1 11 . 1 1 54 54 ASP N N 54 113.357 113.357 118.110 -4.753 19860 4706 1 11 . 1 1 54 54 ASP HA H 54 4.288 4.288 4.354 -0.066 19860 4707 1 11 . 1 1 54 54 ASP C C 54 176.649 176.649 177.615 -0.966 19860 4708 1 11 . 1 1 54 54 ASP CA C 54 56.682 56.682 56.642 0.040 19860 4709 1 11 . 1 1 54 54 ASP CB C 54 40.670 40.670 40.739 -0.069 19860 4710 1 11 . 1 1 54 54 ASP H H 54 8.262 8.262 8.609 -0.347 19860 4711 1 11 . 1 1 55 55 ASN N N 55 114.935 114.935 116.255 -1.320 19860 4712 1 11 . 1 1 55 55 ASN HA H 55 5.001 5.001 4.743 0.258 19860 4713 1 11 . 1 1 55 55 ASN C C 55 175.032 175.032 175.659 -0.627 19860 4714 1 11 . 1 1 55 55 ASN CA C 55 52.897 52.897 53.694 -0.797 19860 4715 1 11 . 1 1 55 55 ASN CB C 55 39.184 39.184 39.398 -0.214 19860 4716 1 11 . 1 1 55 55 ASN H H 55 7.971 7.971 7.803 0.168 19860 4717 1 11 . 1 1 56 56 LEU N N 56 120.385 120.385 122.345 -1.960 19860 4718 1 11 . 1 1 56 56 LEU HA H 56 4.488 4.488 4.388 0.100 19860 4719 1 11 . 1 1 56 56 LEU C C 56 174.131 174.131 174.755 -0.624 19860 4720 1 11 . 1 1 56 56 LEU CA C 56 52.912 52.912 52.118 0.794 19860 4721 1 11 . 1 1 56 56 LEU CB C 56 41.958 41.958 40.505 1.453 19860 4722 1 11 . 1 1 56 56 LEU H H 56 7.331 7.331 7.449 -0.118 19860 4723 1 11 . 1 1 57 57 PRO HA H 57 4.617 4.617 4.453 0.164 19860 4724 1 11 . 1 1 57 57 PRO C C 57 178.627 178.627 177.531 1.096 19860 4725 1 11 . 1 1 57 57 PRO CA C 57 62.751 62.751 62.673 0.078 19860 4726 1 11 . 1 1 57 57 PRO CB C 57 32.718 32.718 32.288 0.430 19860 4727 1 11 . 1 1 58 58 ILE N N 58 125.295 125.295 120.523 4.772 19860 4728 1 11 . 1 1 58 58 ILE HA H 58 3.783 3.783 3.738 0.045 19860 4729 1 11 . 1 1 58 58 ILE C C 58 176.776 176.776 177.710 -0.934 19860 4730 1 11 . 1 1 58 58 ILE CA C 58 64.583 64.583 63.991 0.592 19860 4731 1 11 . 1 1 58 58 ILE CB C 58 37.959 37.959 37.460 0.499 19860 4732 1 11 . 1 1 58 58 ILE H H 58 8.882 8.882 8.398 0.484 19860 4733 1 11 . 1 1 59 59 GLU N N 59 118.869 118.869 119.959 -1.090 19860 4734 1 11 . 1 1 59 59 GLU HA H 59 4.254 4.254 4.039 0.215 19860 4735 1 11 . 1 1 59 59 GLU C C 59 179.370 179.370 178.738 0.632 19860 4736 1 11 . 1 1 59 59 GLU CA C 59 59.757 59.757 59.508 0.249 19860 4737 1 11 . 1 1 59 59 GLU CB C 59 29.053 29.053 29.017 0.036 19860 4738 1 11 . 1 1 59 59 GLU H H 59 9.348 9.348 8.583 0.765 19860 4739 1 11 . 1 1 60 60 VAL N N 60 118.990 118.990 119.987 -0.997 19860 4740 1 11 . 1 1 60 60 VAL HA H 60 3.772 3.772 3.553 0.219 19860 4741 1 11 . 1 1 60 60 VAL C C 60 177.451 177.451 177.706 -0.255 19860 4742 1 11 . 1 1 60 60 VAL CA C 60 65.331 65.331 66.595 -1.264 19860 4743 1 11 . 1 1 60 60 VAL CB C 60 31.869 31.869 31.389 0.480 19860 4744 1 11 . 1 1 60 60 VAL H H 60 7.290 7.290 7.517 -0.227 19860 4745 1 11 . 1 1 61 61 LYS N N 61 120.824 120.824 119.620 1.204 19860 4746 1 11 . 1 1 61 61 LYS HA H 61 3.782 3.782 3.836 -0.054 19860 4747 1 11 . 1 1 61 61 LYS C C 61 179.444 179.444 178.722 0.722 19860 4748 1 11 . 1 1 61 61 LYS CA C 61 61.060 61.060 59.846 1.214 19860 4749 1 11 . 1 1 61 61 LYS CB C 61 32.196 32.196 31.851 0.345 19860 4750 1 11 . 1 1 61 61 LYS H H 61 8.043 8.043 7.898 0.145 19860 4751 1 11 . 1 1 62 62 ASP N N 62 119.231 119.231 120.390 -1.159 19860 4752 1 11 . 1 1 62 62 ASP HA H 62 4.427 4.427 4.359 0.068 19860 4753 1 11 . 1 1 62 62 ASP C C 62 178.420 178.420 177.978 0.442 19860 4754 1 11 . 1 1 62 62 ASP CA C 62 57.851 57.851 57.687 0.164 19860 4755 1 11 . 1 1 62 62 ASP CB C 62 40.780 40.780 40.659 0.121 19860 4756 1 11 . 1 1 62 62 ASP H H 62 8.766 8.766 8.233 0.533 19860 4757 1 11 . 1 1 63 63 LYS N N 63 119.623 119.623 119.536 0.087 19860 4758 1 11 . 1 1 63 63 LYS HA H 63 4.025 4.025 4.048 -0.023 19860 4759 1 11 . 1 1 63 63 LYS C C 63 178.866 178.866 179.254 -0.388 19860 4760 1 11 . 1 1 63 63 LYS CA C 63 59.667 59.667 59.417 0.250 19860 4761 1 11 . 1 1 63 63 LYS CB C 63 32.929 32.929 32.523 0.406 19860 4762 1 11 . 1 1 63 63 LYS H H 63 7.391 7.391 7.673 -0.282 19860 4763 1 11 . 1 1 64 64 LEU N N 64 118.806 118.806 119.355 -0.549 19860 4764 1 11 . 1 1 64 64 LEU HA H 64 4.216 4.216 3.635 0.581 19860 4765 1 11 . 1 1 64 64 LEU C C 64 178.793 178.793 178.539 0.254 19860 4766 1 11 . 1 1 64 64 LEU CA C 64 58.011 58.011 57.808 0.203 19860 4767 1 11 . 1 1 64 64 LEU CB C 64 42.251 42.251 40.968 1.282 19860 4768 1 11 . 1 1 64 64 LEU H H 64 8.357 8.357 8.117 0.240 19860 4769 1 11 . 1 1 65 65 THR N N 65 115.102 115.102 115.243 -0.141 19860 4770 1 11 . 1 1 65 65 THR HA H 65 3.920 3.920 3.713 0.207 19860 4771 1 11 . 1 1 65 65 THR C C 65 176.410 176.410 176.329 0.081 19860 4772 1 11 . 1 1 65 65 THR CA C 65 66.705 66.705 66.460 0.245 19860 4773 1 11 . 1 1 65 65 THR CB C 65 68.876 68.876 68.620 0.257 19860 4774 1 11 . 1 1 65 65 THR H H 65 8.343 8.343 8.063 0.280 19860 4775 1 11 . 1 1 66 66 ARG N N 66 119.405 119.405 118.785 0.620 19860 4776 1 11 . 1 1 66 66 ARG HA H 66 4.067 4.067 4.129 -0.062 19860 4777 1 11 . 1 1 66 66 ARG C C 66 177.988 177.988 177.856 0.132 19860 4778 1 11 . 1 1 66 66 ARG CA C 66 58.961 58.961 58.404 0.557 19860 4779 1 11 . 1 1 66 66 ARG CB C 66 30.302 30.302 30.267 0.035 19860 4780 1 11 . 1 1 66 66 ARG H H 66 7.832 7.832 7.988 -0.156 19860 4781 1 11 . 1 1 67 67 PHE N N 67 117.304 117.304 119.685 -2.381 19860 4782 1 11 . 1 1 67 67 PHE HA H 67 4.323 4.323 4.427 -0.104 19860 4783 1 11 . 1 1 67 67 PHE C C 67 177.141 177.141 176.040 1.101 19860 4784 1 11 . 1 1 67 67 PHE CA C 67 59.989 59.989 60.764 -0.775 19860 4785 1 11 . 1 1 67 67 PHE CB C 67 39.269 39.269 40.268 -0.999 19860 4786 1 11 . 1 1 67 67 PHE H H 67 8.190 8.190 8.015 0.175 19860 4787 1 11 . 1 1 68 68 PHE N N 68 114.297 114.297 113.025 1.272 19860 4788 1 11 . 1 1 68 68 PHE HA H 68 4.696 4.696 4.931 -0.235 19860 4789 1 11 . 1 1 68 68 PHE C C 68 175.969 175.969 175.896 0.073 19860 4790 1 11 . 1 1 68 68 PHE CA C 68 59.112 59.112 57.999 1.113 19860 4791 1 11 . 1 1 68 68 PHE CB C 68 40.100 40.100 39.690 0.410 19860 4792 1 11 . 1 1 68 68 PHE H H 68 8.087 8.087 8.017 0.070 19860 4793 1 11 . 1 1 69 69 LEU N N 69 119.594 119.594 123.479 -3.885 19860 4794 1 11 . 1 1 69 69 LEU HA H 69 4.476 4.476 4.558 -0.082 19860 4795 1 11 . 1 1 69 69 LEU C C 69 177.425 177.425 176.536 0.889 19860 4796 1 11 . 1 1 69 69 LEU CA C 69 55.805 55.805 54.729 1.076 19860 4797 1 11 . 1 1 69 69 LEU CB C 69 41.399 41.399 41.049 0.350 19860 4798 1 11 . 1 1 69 69 LEU H H 69 7.823 7.823 7.843 -0.020 19860 4799 1 11 . 1 1 70 70 LEU N N 70 119.723 119.723 115.970 3.753 19860 4800 1 11 . 1 1 70 70 LEU HA H 70 4.341 4.341 4.479 -0.138 19860 4801 1 11 . 1 1 70 70 LEU C C 70 177.443 177.443 177.440 0.003 19860 4802 1 11 . 1 1 70 70 LEU CA C 70 55.288 55.288 55.293 -0.005 19860 4803 1 11 . 1 1 70 70 LEU CB C 70 42.205 42.205 41.359 0.846 19860 4804 1 11 . 1 1 70 70 LEU H H 70 7.905 7.905 7.344 0.561 19860 4805 1 11 . 1 1 71 71 GLU N N 71 120.533 120.533 120.388 0.145 19860 4806 1 11 . 1 1 71 71 GLU HA H 71 4.200 4.200 4.381 -0.181 19860 4807 1 11 . 1 1 71 71 GLU C C 71 176.250 176.250 176.360 -0.110 19860 4808 1 11 . 1 1 71 71 GLU CA C 71 56.609 56.609 56.269 0.340 19860 4809 1 11 . 1 1 71 71 GLU CB C 71 30.475 30.475 30.727 -0.252 19860 4810 1 11 . 1 1 71 71 GLU H H 71 8.244 8.244 7.612 0.632 19860 4811 1 11 . 1 1 72 72 HIS N N 72 119.783 119.783 122.667 -2.884 19860 4812 1 11 . 1 1 72 72 HIS HA H 72 4.623 4.623 4.444 0.179 19860 4813 1 11 . 1 1 72 72 HIS C C 72 174.645 174.645 174.756 -0.111 19860 4814 1 11 . 1 1 72 72 HIS CA C 72 55.737 55.737 57.138 -1.401 19860 4815 1 11 . 1 1 72 72 HIS CB C 72 29.901 29.901 29.105 0.796 19860 4816 1 11 . 1 1 72 72 HIS H H 72 8.403 8.403 8.644 -0.241 19860 4817 1 11 . 1 1 73 73 HIS N N 73 120.199 120.199 122.070 -1.871 19860 4818 1 11 . 1 1 73 73 HIS HA H 73 4.625 4.625 4.622 0.003 19860 4819 1 11 . 1 1 73 73 HIS C C 73 174.552 174.552 174.587 -0.035 19860 4820 1 11 . 1 1 73 73 HIS CA C 73 55.754 55.754 54.696 1.058 19860 4821 1 11 . 1 1 73 73 HIS CB C 73 29.976 29.976 32.348 -2.372 19860 4822 1 11 . 1 1 73 73 HIS H H 73 8.539 8.539 8.404 0.135 19860 4823 1 11 . 1 1 74 74 HIS N N 74 120.457 120.457 119.864 0.593 19860 4824 1 11 . 1 1 74 74 HIS HA H 74 4.655 4.655 4.598 0.057 19860 4825 1 11 . 1 1 74 74 HIS C C 74 174.638 174.638 175.637 -0.999 19860 4826 1 11 . 1 1 74 74 HIS CA C 74 55.771 55.771 56.177 -0.406 19860 4827 1 11 . 1 1 74 74 HIS CB C 74 29.916 29.916 29.488 0.428 19860 4828 1 11 . 1 1 74 74 HIS H H 74 8.681 8.681 8.790 -0.109 19860 4829 1 11 . 1 1 75 75 HIS N N 75 120.782 120.782 123.276 -2.494 19860 4830 1 11 . 1 1 75 75 HIS HA H 75 4.671 4.671 4.402 0.269 19860 4831 1 11 . 1 1 75 75 HIS C C 75 174.525 174.525 174.420 0.105 19860 4832 1 11 . 1 1 75 75 HIS CA C 75 55.758 55.758 57.821 -2.063 19860 4833 1 11 . 1 1 75 75 HIS CB C 75 29.934 29.934 30.529 -0.595 19860 4834 1 11 . 1 1 75 75 HIS H H 75 8.755 8.755 8.582 0.173 19860 4835 1 11 . 1 1 76 76 HIS N N 76 120.737 120.737 116.244 4.493 19860 4836 1 11 . 1 1 76 76 HIS HA H 76 4.666 4.666 4.852 -0.186 19860 4837 1 11 . 1 1 76 76 HIS C C 76 173.873 173.873 174.368 -0.495 19860 4838 1 11 . 1 1 76 76 HIS CA C 76 55.921 55.921 55.751 0.170 19860 4839 1 11 . 1 1 76 76 HIS CB C 76 29.848 29.848 31.133 -1.285 19860 4840 1 11 . 1 1 76 76 HIS H H 76 8.693 8.693 8.330 0.363 19860 4841 1 12 . 1 1 2 2 LEU HA H 2 4.435 4.435 4.482 -0.047 19860 4842 1 12 . 1 1 2 2 LEU C C 2 176.773 176.773 176.295 0.478 19860 4843 1 12 . 1 1 2 2 LEU CA C 2 55.299 55.299 54.375 0.924 19860 4844 1 12 . 1 1 2 2 LEU CB C 2 42.529 42.529 41.595 0.934 19860 4845 1 12 . 1 1 3 3 LYS N N 3 123.220 123.220 123.642 -0.422 19860 4846 1 12 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.406 -0.081 19860 4847 1 12 . 1 1 3 3 LYS C C 3 176.224 176.224 176.258 -0.034 19860 4848 1 12 . 1 1 3 3 LYS CA C 3 56.344 56.344 55.804 0.540 19860 4849 1 12 . 1 1 3 3 LYS CB C 3 33.335 33.335 33.450 -0.115 19860 4850 1 12 . 1 1 3 3 LYS H H 3 8.520 8.520 8.395 0.125 19860 4851 1 12 . 1 1 4 4 HIS N N 4 119.727 119.727 119.423 0.304 19860 4852 1 12 . 1 1 4 4 HIS HA H 4 4.721 4.721 4.636 0.085 19860 4853 1 12 . 1 1 4 4 HIS C C 4 175.318 175.318 175.198 0.120 19860 4854 1 12 . 1 1 4 4 HIS CA C 4 55.941 55.941 56.415 -0.474 19860 4855 1 12 . 1 1 4 4 HIS CB C 4 30.636 30.636 30.971 -0.335 19860 4856 1 12 . 1 1 4 4 HIS H H 4 8.486 8.486 8.539 -0.053 19860 4857 1 12 . 1 1 5 5 GLY N N 5 110.318 110.318 106.274 4.044 19860 4858 1 12 . 1 1 5 5 GLY C C 5 172.966 172.966 171.931 1.035 19860 4859 1 12 . 1 1 5 5 GLY CA C 5 45.146 45.146 45.078 0.068 19860 4860 1 12 . 1 1 5 5 GLY H H 5 8.602 8.602 7.834 0.768 19860 4861 1 12 . 1 1 6 6 LYS N N 6 120.808 120.808 122.218 -1.410 19860 4862 1 12 . 1 1 6 6 LYS HA H 6 4.438 4.438 4.759 -0.321 19860 4863 1 12 . 1 1 6 6 LYS C C 6 175.168 175.168 174.052 1.116 19860 4864 1 12 . 1 1 6 6 LYS CA C 6 56.179 56.179 52.959 3.220 19860 4865 1 12 . 1 1 6 6 LYS CB C 6 34.277 34.277 35.893 -1.616 19860 4866 1 12 . 1 1 6 6 LYS H H 6 8.275 8.275 8.032 0.243 19860 4867 1 12 . 1 1 7 7 TYR N N 7 118.666 118.666 118.955 -0.289 19860 4868 1 12 . 1 1 7 7 TYR HA H 7 5.513 5.513 5.685 -0.172 19860 4869 1 12 . 1 1 7 7 TYR C C 7 176.004 176.004 176.290 -0.286 19860 4870 1 12 . 1 1 7 7 TYR CA C 7 56.971 56.971 57.440 -0.469 19860 4871 1 12 . 1 1 7 7 TYR CB C 7 41.032 41.032 39.813 1.219 19860 4872 1 12 . 1 1 7 7 TYR H H 7 8.351 8.351 8.538 -0.187 19860 4873 1 12 . 1 1 8 8 VAL N N 8 115.920 115.920 117.644 -1.724 19860 4874 1 12 . 1 1 8 8 VAL HA H 8 4.860 4.860 4.943 -0.083 19860 4875 1 12 . 1 1 8 8 VAL C C 8 173.220 173.220 173.583 -0.363 19860 4876 1 12 . 1 1 8 8 VAL CA C 8 59.694 59.694 59.482 0.212 19860 4877 1 12 . 1 1 8 8 VAL CB C 8 35.246 35.246 35.079 0.167 19860 4878 1 12 . 1 1 8 8 VAL H H 8 9.057 9.057 9.089 -0.032 19860 4879 1 12 . 1 1 9 9 TYR N N 9 118.786 118.786 117.367 1.419 19860 4880 1 12 . 1 1 9 9 TYR HA H 9 5.515 5.515 5.646 -0.132 19860 4881 1 12 . 1 1 9 9 TYR C C 9 175.072 175.072 175.872 -0.800 19860 4882 1 12 . 1 1 9 9 TYR CA C 9 56.576 56.576 56.018 0.558 19860 4883 1 12 . 1 1 9 9 TYR CB C 9 41.532 41.532 42.377 -0.845 19860 4884 1 12 . 1 1 9 9 TYR H H 9 9.117 9.117 8.752 0.365 19860 4885 1 12 . 1 1 10 10 ILE N N 10 121.376 121.376 121.820 -0.444 19860 4886 1 12 . 1 1 10 10 ILE HA H 10 4.887 4.887 4.862 0.025 19860 4887 1 12 . 1 1 10 10 ILE C C 10 176.044 176.044 176.118 -0.074 19860 4888 1 12 . 1 1 10 10 ILE CA C 10 58.948 58.948 58.170 0.778 19860 4889 1 12 . 1 1 10 10 ILE CB C 10 38.537 38.537 38.306 0.231 19860 4890 1 12 . 1 1 10 10 ILE H H 10 9.514 9.514 8.891 0.623 19860 4891 1 12 . 1 1 11 11 ASP N N 11 126.501 126.501 127.928 -1.427 19860 4892 1 12 . 1 1 11 11 ASP HA H 11 4.390 4.390 4.346 0.044 19860 4893 1 12 . 1 1 11 11 ASP C C 11 175.850 175.850 176.605 -0.755 19860 4894 1 12 . 1 1 11 11 ASP CA C 11 53.377 53.377 54.023 -0.646 19860 4895 1 12 . 1 1 11 11 ASP CB C 11 41.808 41.808 40.434 1.374 19860 4896 1 12 . 1 1 11 11 ASP H H 11 8.676 8.676 8.748 -0.072 19860 4897 1 12 . 1 1 12 12 LEU N N 12 127.505 127.505 125.459 2.046 19860 4898 1 12 . 1 1 12 12 LEU HA H 12 4.319 4.319 4.095 0.224 19860 4899 1 12 . 1 1 12 12 LEU C C 12 176.132 176.132 177.222 -1.090 19860 4900 1 12 . 1 1 12 12 LEU CA C 12 55.439 55.439 55.612 -0.173 19860 4901 1 12 . 1 1 12 12 LEU CB C 12 40.312 40.312 42.221 -1.909 19860 4902 1 12 . 1 1 12 12 LEU H H 12 7.692 7.692 7.678 0.014 19860 4903 1 12 . 1 1 13 13 ASN N N 13 114.351 114.351 113.491 0.860 19860 4904 1 12 . 1 1 13 13 ASN HA H 13 4.391 4.391 4.218 0.173 19860 4905 1 12 . 1 1 13 13 ASN C C 13 174.440 174.440 174.682 -0.242 19860 4906 1 12 . 1 1 13 13 ASN CA C 13 54.482 54.482 54.738 -0.256 19860 4907 1 12 . 1 1 13 13 ASN CB C 13 37.861 37.861 37.943 -0.082 19860 4908 1 12 . 1 1 13 13 ASN H H 13 9.187 9.187 7.618 1.569 19860 4909 1 12 . 1 1 14 14 ASN N N 14 115.057 115.057 116.651 -1.594 19860 4910 1 12 . 1 1 14 14 ASN HA H 14 4.779 4.779 4.731 0.048 19860 4911 1 12 . 1 1 14 14 ASN C C 14 176.213 176.213 175.047 1.166 19860 4912 1 12 . 1 1 14 14 ASN CA C 14 52.149 52.149 52.913 -0.764 19860 4913 1 12 . 1 1 14 14 ASN CB C 14 38.727 38.727 38.071 0.656 19860 4914 1 12 . 1 1 14 14 ASN H H 14 7.737 7.737 8.069 -0.332 19860 4915 1 12 . 1 1 15 15 GLY N N 15 110.453 110.453 105.215 5.238 19860 4916 1 12 . 1 1 15 15 GLY C C 15 172.968 172.968 173.037 -0.069 19860 4917 1 12 . 1 1 15 15 GLY CA C 15 45.136 45.136 45.209 -0.073 19860 4918 1 12 . 1 1 15 15 GLY H H 15 8.744 8.744 8.291 0.453 19860 4919 1 12 . 1 1 16 16 LYS N N 16 116.557 116.557 117.905 -1.348 19860 4920 1 12 . 1 1 16 16 LYS HA H 16 4.992 4.992 4.860 0.132 19860 4921 1 12 . 1 1 16 16 LYS C C 16 175.214 175.214 173.981 1.233 19860 4922 1 12 . 1 1 16 16 LYS CA C 16 54.653 54.653 54.724 -0.071 19860 4923 1 12 . 1 1 16 16 LYS CB C 16 35.359 35.359 35.626 -0.267 19860 4924 1 12 . 1 1 16 16 LYS H H 16 7.559 7.559 7.048 0.511 19860 4925 1 12 . 1 1 17 17 TYR N N 17 117.020 117.020 117.131 -0.111 19860 4926 1 12 . 1 1 17 17 TYR HA H 17 5.551 5.551 5.002 0.549 19860 4927 1 12 . 1 1 17 17 TYR C C 17 175.491 175.491 174.450 1.041 19860 4928 1 12 . 1 1 17 17 TYR CA C 17 56.255 56.255 57.435 -1.180 19860 4929 1 12 . 1 1 17 17 TYR CB C 17 42.270 42.270 42.834 -0.564 19860 4930 1 12 . 1 1 17 17 TYR H H 17 8.577 8.577 8.734 -0.157 19860 4931 1 12 . 1 1 18 18 VAL N N 18 121.032 121.032 121.478 -0.446 19860 4932 1 12 . 1 1 18 18 VAL HA H 18 5.027 5.027 4.383 0.644 19860 4933 1 12 . 1 1 18 18 VAL C C 18 174.046 174.046 174.235 -0.189 19860 4934 1 12 . 1 1 18 18 VAL CA C 18 59.711 59.711 60.480 -0.769 19860 4935 1 12 . 1 1 18 18 VAL CB C 18 35.076 35.076 34.624 0.452 19860 4936 1 12 . 1 1 18 18 VAL H H 18 8.829 8.829 8.506 0.323 19860 4937 1 12 . 1 1 19 19 LYS N N 19 130.251 130.251 129.625 0.626 19860 4938 1 12 . 1 1 19 19 LYS HA H 19 4.055 4.055 4.443 -0.388 19860 4939 1 12 . 1 1 19 19 LYS C C 19 175.628 175.628 175.338 0.290 19860 4940 1 12 . 1 1 19 19 LYS CA C 19 56.975 56.975 55.329 1.646 19860 4941 1 12 . 1 1 19 19 LYS CB C 19 33.380 33.380 32.787 0.593 19860 4942 1 12 . 1 1 19 19 LYS H H 19 8.388 8.388 7.921 0.467 19860 4943 1 12 . 1 1 20 20 VAL N N 20 127.530 127.530 125.465 2.065 19860 4944 1 12 . 1 1 20 20 VAL HA H 20 4.946 4.946 4.365 0.581 19860 4945 1 12 . 1 1 20 20 VAL C C 20 173.581 173.581 174.040 -0.459 19860 4946 1 12 . 1 1 20 20 VAL CA C 20 60.483 60.483 59.531 0.952 19860 4947 1 12 . 1 1 20 20 VAL CB C 20 35.665 35.665 36.278 -0.613 19860 4948 1 12 . 1 1 20 20 VAL H H 20 9.428 9.428 8.922 0.506 19860 4949 1 12 . 1 1 21 21 ARG N N 21 125.804 125.804 127.264 -1.460 19860 4950 1 12 . 1 1 21 21 ARG HA H 21 4.716 4.716 4.598 0.118 19860 4951 1 12 . 1 1 21 21 ARG C C 21 174.905 174.905 175.311 -0.406 19860 4952 1 12 . 1 1 21 21 ARG CA C 21 54.864 54.864 54.708 0.156 19860 4953 1 12 . 1 1 21 21 ARG CB C 21 32.881 32.881 30.838 2.042 19860 4954 1 12 . 1 1 21 21 ARG H H 21 9.084 9.084 8.502 0.582 19860 4955 1 12 . 1 1 22 22 ILE N N 22 124.167 124.167 127.222 -3.055 19860 4956 1 12 . 1 1 22 22 ILE HA H 22 4.624 4.624 4.244 0.380 19860 4957 1 12 . 1 1 22 22 ILE C C 22 175.887 175.887 174.978 0.909 19860 4958 1 12 . 1 1 22 22 ILE CA C 22 59.717 59.717 59.299 0.418 19860 4959 1 12 . 1 1 22 22 ILE CB C 22 38.699 38.699 36.654 2.045 19860 4960 1 12 . 1 1 22 22 ILE H H 22 8.554 8.554 8.967 -0.413 19860 4961 1 12 . 1 1 23 23 LEU N N 23 128.981 128.981 130.271 -1.290 19860 4962 1 12 . 1 1 23 23 LEU HA H 23 4.663 4.663 4.938 -0.275 19860 4963 1 12 . 1 1 23 23 LEU C C 23 176.174 176.174 176.366 -0.192 19860 4964 1 12 . 1 1 23 23 LEU CA C 23 53.897 53.897 53.640 0.257 19860 4965 1 12 . 1 1 23 23 LEU CB C 23 43.556 43.556 41.566 1.990 19860 4966 1 12 . 1 1 23 23 LEU H H 23 8.835 8.835 8.946 -0.111 19860 4967 1 12 . 1 1 24 24 LYS N N 24 122.797 122.797 126.196 -3.399 19860 4968 1 12 . 1 1 24 24 LYS HA H 24 4.568 4.568 4.453 0.115 19860 4969 1 12 . 1 1 24 24 LYS C C 24 176.407 176.407 175.956 0.451 19860 4970 1 12 . 1 1 24 24 LYS CA C 24 55.808 55.808 56.109 -0.301 19860 4971 1 12 . 1 1 24 24 LYS CB C 24 34.082 34.082 33.268 0.814 19860 4972 1 12 . 1 1 24 24 LYS H H 24 8.566 8.566 8.839 -0.273 19860 4973 1 12 . 1 1 25 25 SER N N 25 118.453 118.453 121.586 -3.133 19860 4974 1 12 . 1 1 25 25 SER HA H 25 4.477 4.477 4.877 -0.400 19860 4975 1 12 . 1 1 25 25 SER C C 25 175.038 175.038 173.998 1.040 19860 4976 1 12 . 1 1 25 25 SER CA C 25 58.146 58.146 57.147 0.999 19860 4977 1 12 . 1 1 25 25 SER CB C 25 63.977 63.977 62.871 1.106 19860 4978 1 12 . 1 1 25 25 SER H H 25 8.668 8.668 9.017 -0.349 19860 4979 1 12 . 1 1 26 26 ARG N N 26 123.008 123.008 124.558 -1.550 19860 4980 1 12 . 1 1 26 26 ARG HA H 26 4.284 4.284 4.356 -0.072 19860 4981 1 12 . 1 1 26 26 ARG C C 26 176.640 176.640 176.508 0.132 19860 4982 1 12 . 1 1 26 26 ARG CA C 26 57.171 57.171 58.397 -1.226 19860 4983 1 12 . 1 1 26 26 ARG CB C 26 30.748 30.748 30.479 0.269 19860 4984 1 12 . 1 1 26 26 ARG H H 26 8.667 8.667 8.087 0.580 19860 4985 1 12 . 1 1 27 27 ASP N N 27 118.281 118.281 117.778 0.503 19860 4986 1 12 . 1 1 27 27 ASP HA H 27 4.598 4.598 4.430 0.168 19860 4987 1 12 . 1 1 27 27 ASP C C 27 176.028 176.028 177.163 -1.135 19860 4988 1 12 . 1 1 27 27 ASP CA C 27 54.657 54.657 57.030 -2.373 19860 4989 1 12 . 1 1 27 27 ASP CB C 27 41.416 41.416 40.582 0.834 19860 4990 1 12 . 1 1 27 27 ASP H H 27 8.246 8.246 8.475 -0.229 19860 4991 1 12 . 1 1 28 28 ASP N N 28 118.646 118.646 117.392 1.254 19860 4992 1 12 . 1 1 28 28 ASP HA H 28 4.563 4.563 4.493 0.070 19860 4993 1 12 . 1 1 28 28 ASP C C 28 176.165 176.165 176.186 -0.021 19860 4994 1 12 . 1 1 28 28 ASP CA C 28 54.822 54.822 55.642 -0.821 19860 4995 1 12 . 1 1 28 28 ASP CB C 28 41.150 41.150 41.855 -0.705 19860 4996 1 12 . 1 1 28 28 ASP H H 28 8.034 8.034 7.937 0.097 19860 4997 1 12 . 1 1 29 29 ASN N N 29 117.519 117.519 115.730 1.789 19860 4998 1 12 . 1 1 29 29 ASN HA H 29 4.734 4.734 4.728 0.006 19860 4999 1 12 . 1 1 29 29 ASN C C 29 175.116 175.116 173.702 1.414 19860 5000 1 12 . 1 1 29 29 ASN CA C 29 53.951 53.951 53.896 0.055 19860 5001 1 12 . 1 1 29 29 ASN CB C 29 38.779 38.779 39.835 -1.056 19860 5002 1 12 . 1 1 29 29 ASN H H 29 8.473 8.473 7.830 0.643 19860 5003 1 12 . 1 1 30 30 SER N N 30 114.910 114.910 116.261 -1.351 19860 5004 1 12 . 1 1 30 30 SER HA H 30 4.493 4.493 4.655 -0.162 19860 5005 1 12 . 1 1 30 30 SER C C 30 174.235 174.235 172.973 1.262 19860 5006 1 12 . 1 1 30 30 SER CA C 30 58.669 58.669 58.620 0.049 19860 5007 1 12 . 1 1 30 30 SER CB C 30 64.403 64.403 63.975 0.428 19860 5008 1 12 . 1 1 30 30 SER H H 30 8.206 8.206 8.404 -0.198 19860 5009 1 12 . 1 1 31 31 VAL N N 31 121.640 121.640 123.816 -2.176 19860 5010 1 12 . 1 1 31 31 VAL HA H 31 4.090 4.090 4.258 -0.168 19860 5011 1 12 . 1 1 31 31 VAL C C 31 175.873 175.873 174.187 1.686 19860 5012 1 12 . 1 1 31 31 VAL CA C 31 62.939 62.939 61.721 1.218 19860 5013 1 12 . 1 1 31 31 VAL CB C 31 32.878 32.878 34.411 -1.533 19860 5014 1 12 . 1 1 31 31 VAL H H 31 8.242 8.242 8.199 0.043 19860 5015 1 12 . 1 1 32 32 GLU N N 32 125.144 125.144 127.021 -1.877 19860 5016 1 12 . 1 1 32 32 GLU HA H 32 4.417 4.417 5.071 -0.654 19860 5017 1 12 . 1 1 32 32 GLU C C 32 175.532 175.532 175.276 0.256 19860 5018 1 12 . 1 1 32 32 GLU CA C 32 56.886 56.886 55.030 1.856 19860 5019 1 12 . 1 1 32 32 GLU CB C 32 31.059 31.059 31.817 -0.758 19860 5020 1 12 . 1 1 32 32 GLU H H 32 8.679 8.679 8.592 0.087 19860 5021 1 12 . 1 1 33 33 LYS N N 33 120.222 120.222 122.957 -2.735 19860 5022 1 12 . 1 1 33 33 LYS HA H 33 4.574 4.574 4.427 0.147 19860 5023 1 12 . 1 1 33 33 LYS C C 33 174.194 174.194 174.746 -0.552 19860 5024 1 12 . 1 1 33 33 LYS CA C 33 55.324 55.324 53.477 1.847 19860 5025 1 12 . 1 1 33 33 LYS CB C 33 35.258 35.258 34.600 0.658 19860 5026 1 12 . 1 1 33 33 LYS H H 33 8.229 8.229 8.667 -0.438 19860 5027 1 12 . 1 1 34 34 TYR N N 34 121.014 121.014 116.758 4.256 19860 5028 1 12 . 1 1 34 34 TYR HA H 34 4.910 4.910 5.131 -0.221 19860 5029 1 12 . 1 1 34 34 TYR C C 34 175.667 175.667 176.280 -0.613 19860 5030 1 12 . 1 1 34 34 TYR CA C 34 56.984 56.984 56.965 0.019 19860 5031 1 12 . 1 1 34 34 TYR CB C 34 40.036 40.036 41.286 -1.250 19860 5032 1 12 . 1 1 34 34 TYR H H 34 8.552 8.552 8.240 0.312 19860 5033 1 12 . 1 1 35 35 VAL N N 35 124.624 124.624 121.090 3.534 19860 5034 1 12 . 1 1 35 35 VAL HA H 35 4.301 4.301 4.003 0.298 19860 5035 1 12 . 1 1 35 35 VAL C C 35 175.490 175.490 176.442 -0.952 19860 5036 1 12 . 1 1 35 35 VAL CA C 35 61.869 61.869 62.403 -0.534 19860 5037 1 12 . 1 1 35 35 VAL CB C 35 33.510 33.510 33.126 0.384 19860 5038 1 12 . 1 1 35 35 VAL H H 35 9.337 9.337 8.267 1.070 19860 5039 1 12 . 1 1 36 36 LEU N N 36 127.814 127.814 125.539 2.275 19860 5040 1 12 . 1 1 36 36 LEU HA H 36 4.326 4.326 4.455 -0.129 19860 5041 1 12 . 1 1 36 36 LEU C C 36 177.355 177.355 177.095 0.260 19860 5042 1 12 . 1 1 36 36 LEU CA C 36 56.612 56.612 55.554 1.058 19860 5043 1 12 . 1 1 36 36 LEU CB C 36 41.899 41.899 40.787 1.112 19860 5044 1 12 . 1 1 36 36 LEU H H 36 8.845 8.845 8.424 0.421 19860 5045 1 12 . 1 1 37 37 THR N N 37 112.016 112.016 114.320 -2.304 19860 5046 1 12 . 1 1 37 37 THR HA H 37 4.904 4.904 4.225 0.679 19860 5047 1 12 . 1 1 37 37 THR C C 37 173.228 173.228 174.184 -0.956 19860 5048 1 12 . 1 1 37 37 THR CA C 37 61.023 61.023 61.015 0.008 19860 5049 1 12 . 1 1 37 37 THR CB C 37 70.829 70.829 69.339 1.490 19860 5050 1 12 . 1 1 37 37 THR H H 37 7.374 7.374 7.532 -0.158 19860 5051 1 12 . 1 1 38 38 SER N N 38 111.049 111.049 118.011 -6.962 19860 5052 1 12 . 1 1 38 38 SER HA H 38 4.635 4.635 4.753 -0.118 19860 5053 1 12 . 1 1 38 38 SER C C 38 174.606 174.606 173.218 1.388 19860 5054 1 12 . 1 1 38 38 SER CA C 38 57.957 57.957 57.209 0.748 19860 5055 1 12 . 1 1 38 38 SER CB C 38 63.849 63.849 63.621 0.228 19860 5056 1 12 . 1 1 38 38 SER H H 38 8.387 8.387 8.272 0.115 19860 5057 1 12 . 1 1 39 39 HIS N N 39 122.230 122.230 122.741 -0.511 19860 5058 1 12 . 1 1 39 39 HIS HA H 39 4.768 4.768 4.295 0.473 19860 5059 1 12 . 1 1 39 39 HIS C C 39 173.143 173.143 174.424 -1.281 19860 5060 1 12 . 1 1 39 39 HIS CA C 39 56.328 56.328 56.137 0.191 19860 5061 1 12 . 1 1 39 39 HIS CB C 39 29.938 29.938 29.102 0.836 19860 5062 1 12 . 1 1 39 39 HIS H H 39 8.424 8.424 7.449 0.975 19860 5063 1 12 . 1 1 40 40 VAL N N 40 126.582 126.582 121.284 5.298 19860 5064 1 12 . 1 1 40 40 VAL HA H 40 4.915 4.915 4.471 0.444 19860 5065 1 12 . 1 1 40 40 VAL C C 40 175.763 175.763 175.134 0.629 19860 5066 1 12 . 1 1 40 40 VAL CA C 40 60.612 60.612 60.706 -0.094 19860 5067 1 12 . 1 1 40 40 VAL CB C 40 34.085 34.085 32.487 1.598 19860 5068 1 12 . 1 1 40 40 VAL H H 40 8.364 8.364 8.025 0.339 19860 5069 1 12 . 1 1 41 41 SER N N 41 121.067 121.067 118.343 2.724 19860 5070 1 12 . 1 1 41 41 SER HA H 41 4.947 4.947 4.856 0.091 19860 5071 1 12 . 1 1 41 41 SER C C 41 174.505 174.505 174.539 -0.034 19860 5072 1 12 . 1 1 41 41 SER CA C 41 57.001 57.001 56.179 0.822 19860 5073 1 12 . 1 1 41 41 SER CB C 41 65.504 65.504 65.228 0.276 19860 5074 1 12 . 1 1 41 41 SER H H 41 9.297 9.297 9.120 0.177 19860 5075 1 12 . 1 1 42 42 LYS N N 42 123.812 123.812 126.472 -2.660 19860 5076 1 12 . 1 1 42 42 LYS HA H 42 4.905 4.905 4.333 0.572 19860 5077 1 12 . 1 1 42 42 LYS C C 42 175.037 175.037 175.496 -0.459 19860 5078 1 12 . 1 1 42 42 LYS CA C 42 56.600 56.600 56.206 0.394 19860 5079 1 12 . 1 1 42 42 LYS CB C 42 32.827 32.827 31.785 1.042 19860 5080 1 12 . 1 1 42 42 LYS H H 42 8.962 8.962 8.697 0.265 19860 5081 1 12 . 1 1 43 43 ASN N N 43 115.779 115.779 119.188 -3.409 19860 5082 1 12 . 1 1 43 43 ASN HA H 43 4.906 4.906 4.827 0.079 19860 5083 1 12 . 1 1 43 43 ASN C C 43 173.479 173.479 173.958 -0.479 19860 5084 1 12 . 1 1 43 43 ASN CA C 43 51.840 51.840 52.400 -0.560 19860 5085 1 12 . 1 1 43 43 ASN CB C 43 40.763 40.763 41.612 -0.849 19860 5086 1 12 . 1 1 43 43 ASN H H 43 8.053 8.053 7.408 0.645 19860 5087 1 12 . 1 1 44 44 ARG N N 44 124.471 124.471 121.499 2.972 19860 5088 1 12 . 1 1 44 44 ARG HA H 44 3.217 3.217 4.305 -1.088 19860 5089 1 12 . 1 1 44 44 ARG C C 44 173.869 173.869 173.914 -0.045 19860 5090 1 12 . 1 1 44 44 ARG CA C 44 54.034 54.034 53.829 0.205 19860 5091 1 12 . 1 1 44 44 ARG CB C 44 29.917 29.917 30.112 -0.195 19860 5092 1 12 . 1 1 44 44 ARG H H 44 8.565 8.565 8.355 0.210 19860 5093 1 12 . 1 1 45 45 PRO HA H 45 4.123 4.123 4.286 -0.163 19860 5094 1 12 . 1 1 45 45 PRO C C 45 176.434 176.434 176.790 -0.356 19860 5095 1 12 . 1 1 45 45 PRO CA C 45 62.292 62.292 62.213 0.079 19860 5096 1 12 . 1 1 45 45 PRO CB C 45 32.110 32.110 31.960 0.150 19860 5097 1 12 . 1 1 46 46 LYS N N 46 122.529 122.529 124.364 -1.835 19860 5098 1 12 . 1 1 46 46 LYS HA H 46 4.110 4.110 4.014 0.096 19860 5099 1 12 . 1 1 46 46 LYS C C 46 176.931 176.931 176.975 -0.044 19860 5100 1 12 . 1 1 46 46 LYS CA C 46 57.000 57.000 57.943 -0.943 19860 5101 1 12 . 1 1 46 46 LYS CB C 46 33.095 33.095 32.807 0.288 19860 5102 1 12 . 1 1 46 46 LYS H H 46 8.470 8.470 8.381 0.089 19860 5103 1 12 . 1 1 47 47 ASN N N 47 117.122 117.122 119.168 -2.046 19860 5104 1 12 . 1 1 47 47 ASN HA H 47 4.589 4.589 4.828 -0.239 19860 5105 1 12 . 1 1 47 47 ASN C C 47 174.011 174.011 173.663 0.348 19860 5106 1 12 . 1 1 47 47 ASN CA C 47 53.493 53.493 52.440 1.053 19860 5107 1 12 . 1 1 47 47 ASN CB C 47 37.868 37.868 37.766 0.102 19860 5108 1 12 . 1 1 47 47 ASN H H 47 8.745 8.745 8.126 0.619 19860 5109 1 12 . 1 1 48 48 ALA N N 48 119.908 119.908 125.336 -5.428 19860 5110 1 12 . 1 1 48 48 ALA HA H 48 4.609 4.609 4.625 -0.016 19860 5111 1 12 . 1 1 48 48 ALA C C 48 176.506 176.506 175.451 1.055 19860 5112 1 12 . 1 1 48 48 ALA CA C 48 51.136 51.136 51.468 -0.332 19860 5113 1 12 . 1 1 48 48 ALA CB C 48 22.389 22.389 21.147 1.242 19860 5114 1 12 . 1 1 48 48 ALA H H 48 7.394 7.394 7.757 -0.363 19860 5115 1 12 . 1 1 49 49 ILE N N 49 123.192 123.192 122.162 1.030 19860 5116 1 12 . 1 1 49 49 ILE HA H 49 4.140 4.140 4.484 -0.344 19860 5117 1 12 . 1 1 49 49 ILE C C 49 174.731 174.731 175.216 -0.485 19860 5118 1 12 . 1 1 49 49 ILE CA C 49 61.597 61.597 59.925 1.672 19860 5119 1 12 . 1 1 49 49 ILE CB C 49 38.166 38.166 38.045 0.121 19860 5120 1 12 . 1 1 49 49 ILE H H 49 8.878 8.878 8.719 0.159 19860 5121 1 12 . 1 1 50 50 VAL N N 50 127.552 127.552 123.264 4.288 19860 5122 1 12 . 1 1 50 50 VAL HA H 50 5.289 5.289 5.559 -0.270 19860 5123 1 12 . 1 1 50 50 VAL C C 50 176.411 176.411 175.489 0.922 19860 5124 1 12 . 1 1 50 50 VAL CA C 50 60.499 60.499 60.120 0.379 19860 5125 1 12 . 1 1 50 50 VAL CB C 50 33.890 33.890 33.604 0.286 19860 5126 1 12 . 1 1 50 50 VAL H H 50 8.371 8.371 8.392 -0.021 19860 5127 1 12 . 1 1 51 51 ILE N N 51 126.906 126.906 127.224 -0.318 19860 5128 1 12 . 1 1 51 51 ILE HA H 51 4.691 4.691 4.454 0.237 19860 5129 1 12 . 1 1 51 51 ILE C C 51 175.322 175.322 175.196 0.126 19860 5130 1 12 . 1 1 51 51 ILE CA C 51 59.439 59.439 60.248 -0.809 19860 5131 1 12 . 1 1 51 51 ILE CB C 51 41.189 41.189 40.607 0.582 19860 5132 1 12 . 1 1 51 51 ILE H H 51 9.314 9.314 9.195 0.119 19860 5133 1 12 . 1 1 52 52 LYS N N 52 123.523 123.523 127.465 -3.942 19860 5134 1 12 . 1 1 52 52 LYS HA H 52 4.686 4.686 4.409 0.277 19860 5135 1 12 . 1 1 52 52 LYS C C 52 178.237 178.237 177.879 0.358 19860 5136 1 12 . 1 1 52 52 LYS CA C 52 56.120 56.120 56.204 -0.084 19860 5137 1 12 . 1 1 52 52 LYS CB C 52 33.392 33.392 33.542 -0.150 19860 5138 1 12 . 1 1 52 52 LYS H H 52 8.737 8.737 8.859 -0.122 19860 5139 1 12 . 1 1 53 53 MET N N 53 119.701 119.701 123.543 -3.842 19860 5140 1 12 . 1 1 53 53 MET HA H 53 3.908 3.908 4.066 -0.158 19860 5141 1 12 . 1 1 53 53 MET C C 53 177.401 177.401 178.304 -0.903 19860 5142 1 12 . 1 1 53 53 MET CA C 53 58.725 58.725 59.576 -0.851 19860 5143 1 12 . 1 1 53 53 MET CB C 53 33.383 33.383 32.274 1.109 19860 5144 1 12 . 1 1 53 53 MET H H 53 8.799 8.799 8.473 0.326 19860 5145 1 12 . 1 1 54 54 ASP N N 54 113.357 113.357 119.628 -6.271 19860 5146 1 12 . 1 1 54 54 ASP HA H 54 4.288 4.288 4.348 -0.060 19860 5147 1 12 . 1 1 54 54 ASP C C 54 176.649 176.649 177.295 -0.646 19860 5148 1 12 . 1 1 54 54 ASP CA C 54 56.682 56.682 56.876 -0.194 19860 5149 1 12 . 1 1 54 54 ASP CB C 54 40.670 40.670 40.787 -0.117 19860 5150 1 12 . 1 1 54 54 ASP H H 54 8.262 8.262 8.662 -0.400 19860 5151 1 12 . 1 1 55 55 ASN N N 55 114.935 114.935 115.831 -0.896 19860 5152 1 12 . 1 1 55 55 ASN HA H 55 5.001 5.001 4.764 0.237 19860 5153 1 12 . 1 1 55 55 ASN C C 55 175.032 175.032 175.162 -0.130 19860 5154 1 12 . 1 1 55 55 ASN CA C 55 52.897 52.897 53.354 -0.457 19860 5155 1 12 . 1 1 55 55 ASN CB C 55 39.184 39.184 39.735 -0.551 19860 5156 1 12 . 1 1 55 55 ASN H H 55 7.971 7.971 8.001 -0.030 19860 5157 1 12 . 1 1 56 56 LEU N N 56 120.385 120.385 123.482 -3.097 19860 5158 1 12 . 1 1 56 56 LEU HA H 56 4.488 4.488 4.511 -0.023 19860 5159 1 12 . 1 1 56 56 LEU C C 56 174.131 174.131 174.783 -0.652 19860 5160 1 12 . 1 1 56 56 LEU CA C 56 52.912 52.912 52.074 0.838 19860 5161 1 12 . 1 1 56 56 LEU CB C 56 41.958 41.958 41.614 0.345 19860 5162 1 12 . 1 1 56 56 LEU H H 56 7.331 7.331 7.439 -0.108 19860 5163 1 12 . 1 1 57 57 PRO HA H 57 4.617 4.617 4.536 0.081 19860 5164 1 12 . 1 1 57 57 PRO C C 57 178.627 178.627 177.734 0.893 19860 5165 1 12 . 1 1 57 57 PRO CA C 57 62.751 62.751 62.599 0.152 19860 5166 1 12 . 1 1 57 57 PRO CB C 57 32.718 32.718 32.425 0.293 19860 5167 1 12 . 1 1 58 58 ILE N N 58 125.295 125.295 120.034 5.261 19860 5168 1 12 . 1 1 58 58 ILE HA H 58 3.783 3.783 3.716 0.067 19860 5169 1 12 . 1 1 58 58 ILE C C 58 176.776 176.776 177.698 -0.922 19860 5170 1 12 . 1 1 58 58 ILE CA C 58 64.583 64.583 63.933 0.650 19860 5171 1 12 . 1 1 58 58 ILE CB C 58 37.959 37.959 37.296 0.663 19860 5172 1 12 . 1 1 58 58 ILE H H 58 8.882 8.882 8.440 0.442 19860 5173 1 12 . 1 1 59 59 GLU N N 59 118.869 118.869 120.593 -1.724 19860 5174 1 12 . 1 1 59 59 GLU HA H 59 4.254 4.254 3.984 0.270 19860 5175 1 12 . 1 1 59 59 GLU C C 59 179.370 179.370 178.753 0.617 19860 5176 1 12 . 1 1 59 59 GLU CA C 59 59.757 59.757 59.598 0.159 19860 5177 1 12 . 1 1 59 59 GLU CB C 59 29.053 29.053 29.238 -0.185 19860 5178 1 12 . 1 1 59 59 GLU H H 59 9.348 9.348 8.535 0.813 19860 5179 1 12 . 1 1 60 60 VAL N N 60 118.990 118.990 119.341 -0.351 19860 5180 1 12 . 1 1 60 60 VAL HA H 60 3.772 3.772 3.698 0.074 19860 5181 1 12 . 1 1 60 60 VAL C C 60 177.451 177.451 177.849 -0.398 19860 5182 1 12 . 1 1 60 60 VAL CA C 60 65.331 65.331 65.598 -0.267 19860 5183 1 12 . 1 1 60 60 VAL CB C 60 31.869 31.869 30.964 0.905 19860 5184 1 12 . 1 1 60 60 VAL H H 60 7.290 7.290 7.600 -0.310 19860 5185 1 12 . 1 1 61 61 LYS N N 61 120.824 120.824 120.207 0.617 19860 5186 1 12 . 1 1 61 61 LYS HA H 61 3.782 3.782 3.889 -0.107 19860 5187 1 12 . 1 1 61 61 LYS C C 61 179.444 179.444 178.725 0.719 19860 5188 1 12 . 1 1 61 61 LYS CA C 61 61.060 61.060 60.211 0.849 19860 5189 1 12 . 1 1 61 61 LYS CB C 61 32.196 32.196 31.884 0.312 19860 5190 1 12 . 1 1 61 61 LYS H H 61 8.043 8.043 7.970 0.073 19860 5191 1 12 . 1 1 62 62 ASP N N 62 119.231 119.231 119.898 -0.667 19860 5192 1 12 . 1 1 62 62 ASP HA H 62 4.427 4.427 4.373 0.054 19860 5193 1 12 . 1 1 62 62 ASP C C 62 178.420 178.420 178.099 0.321 19860 5194 1 12 . 1 1 62 62 ASP CA C 62 57.851 57.851 57.531 0.320 19860 5195 1 12 . 1 1 62 62 ASP CB C 62 40.780 40.780 40.716 0.064 19860 5196 1 12 . 1 1 62 62 ASP H H 62 8.766 8.766 8.304 0.462 19860 5197 1 12 . 1 1 63 63 LYS N N 63 119.623 119.623 119.592 0.031 19860 5198 1 12 . 1 1 63 63 LYS HA H 63 4.025 4.025 4.064 -0.039 19860 5199 1 12 . 1 1 63 63 LYS C C 63 178.866 178.866 179.287 -0.421 19860 5200 1 12 . 1 1 63 63 LYS CA C 63 59.667 59.667 58.900 0.767 19860 5201 1 12 . 1 1 63 63 LYS CB C 63 32.929 32.929 32.107 0.822 19860 5202 1 12 . 1 1 63 63 LYS H H 63 7.391 7.391 7.504 -0.113 19860 5203 1 12 . 1 1 64 64 LEU N N 64 118.806 118.806 119.095 -0.289 19860 5204 1 12 . 1 1 64 64 LEU HA H 64 4.216 4.216 3.927 0.289 19860 5205 1 12 . 1 1 64 64 LEU C C 64 178.793 178.793 178.745 0.048 19860 5206 1 12 . 1 1 64 64 LEU CA C 64 58.011 58.011 57.753 0.258 19860 5207 1 12 . 1 1 64 64 LEU CB C 64 42.251 42.251 41.241 1.010 19860 5208 1 12 . 1 1 64 64 LEU H H 64 8.357 8.357 8.281 0.076 19860 5209 1 12 . 1 1 65 65 THR N N 65 115.102 115.102 115.800 -0.698 19860 5210 1 12 . 1 1 65 65 THR HA H 65 3.920 3.920 3.671 0.249 19860 5211 1 12 . 1 1 65 65 THR C C 65 176.410 176.410 176.394 0.016 19860 5212 1 12 . 1 1 65 65 THR CA C 65 66.705 66.705 66.941 -0.236 19860 5213 1 12 . 1 1 65 65 THR CB C 65 68.876 68.876 68.550 0.326 19860 5214 1 12 . 1 1 65 65 THR H H 65 8.343 8.343 7.952 0.391 19860 5215 1 12 . 1 1 66 66 ARG N N 66 119.405 119.405 119.677 -0.272 19860 5216 1 12 . 1 1 66 66 ARG HA H 66 4.067 4.067 4.067 0.000 19860 5217 1 12 . 1 1 66 66 ARG C C 66 177.988 177.988 177.815 0.173 19860 5218 1 12 . 1 1 66 66 ARG CA C 66 58.961 58.961 59.208 -0.247 19860 5219 1 12 . 1 1 66 66 ARG CB C 66 30.302 30.302 30.138 0.164 19860 5220 1 12 . 1 1 66 66 ARG H H 66 7.832 7.832 8.185 -0.353 19860 5221 1 12 . 1 1 67 67 PHE N N 67 117.304 117.304 119.030 -1.726 19860 5222 1 12 . 1 1 67 67 PHE HA H 67 4.323 4.323 4.434 -0.111 19860 5223 1 12 . 1 1 67 67 PHE C C 67 177.141 177.141 176.318 0.823 19860 5224 1 12 . 1 1 67 67 PHE CA C 67 59.989 59.989 60.626 -0.637 19860 5225 1 12 . 1 1 67 67 PHE CB C 67 39.269 39.269 40.334 -1.065 19860 5226 1 12 . 1 1 67 67 PHE H H 67 8.190 8.190 7.845 0.345 19860 5227 1 12 . 1 1 68 68 PHE N N 68 114.297 114.297 113.070 1.227 19860 5228 1 12 . 1 1 68 68 PHE HA H 68 4.696 4.696 4.726 -0.030 19860 5229 1 12 . 1 1 68 68 PHE C C 68 175.969 175.969 175.885 0.084 19860 5230 1 12 . 1 1 68 68 PHE CA C 68 59.112 59.112 57.890 1.222 19860 5231 1 12 . 1 1 68 68 PHE CB C 68 40.100 40.100 39.534 0.566 19860 5232 1 12 . 1 1 68 68 PHE H H 68 8.087 8.087 8.075 0.012 19860 5233 1 12 . 1 1 69 69 LEU N N 69 119.594 119.594 122.404 -2.810 19860 5234 1 12 . 1 1 69 69 LEU HA H 69 4.476 4.476 4.462 0.014 19860 5235 1 12 . 1 1 69 69 LEU C C 69 177.425 177.425 177.492 -0.067 19860 5236 1 12 . 1 1 69 69 LEU CA C 69 55.805 55.805 54.457 1.348 19860 5237 1 12 . 1 1 69 69 LEU CB C 69 41.399 41.399 41.132 0.267 19860 5238 1 12 . 1 1 69 69 LEU H H 69 7.823 7.823 7.612 0.211 19860 5239 1 12 . 1 1 70 70 LEU N N 70 119.723 119.723 120.560 -0.837 19860 5240 1 12 . 1 1 70 70 LEU HA H 70 4.341 4.341 4.042 0.299 19860 5241 1 12 . 1 1 70 70 LEU C C 70 177.443 177.443 177.562 -0.119 19860 5242 1 12 . 1 1 70 70 LEU CA C 70 55.288 55.288 57.611 -2.323 19860 5243 1 12 . 1 1 70 70 LEU CB C 70 42.205 42.205 41.859 0.346 19860 5244 1 12 . 1 1 70 70 LEU H H 70 7.905 7.905 7.488 0.417 19860 5245 1 12 . 1 1 71 71 GLU N N 71 120.533 120.533 118.329 2.204 19860 5246 1 12 . 1 1 71 71 GLU HA H 71 4.200 4.200 4.244 -0.044 19860 5247 1 12 . 1 1 71 71 GLU C C 71 176.250 176.250 175.401 0.849 19860 5248 1 12 . 1 1 71 71 GLU CA C 71 56.609 56.609 55.752 0.857 19860 5249 1 12 . 1 1 71 71 GLU CB C 71 30.475 30.475 30.060 0.415 19860 5250 1 12 . 1 1 71 71 GLU H H 71 8.244 8.244 7.536 0.708 19860 5251 1 12 . 1 1 72 72 HIS N N 72 119.783 119.783 123.644 -3.861 19860 5252 1 12 . 1 1 72 72 HIS HA H 72 4.623 4.623 4.964 -0.341 19860 5253 1 12 . 1 1 72 72 HIS C C 72 174.645 174.645 173.610 1.035 19860 5254 1 12 . 1 1 72 72 HIS CA C 72 55.737 55.737 54.452 1.286 19860 5255 1 12 . 1 1 72 72 HIS CB C 72 29.901 29.901 29.079 0.822 19860 5256 1 12 . 1 1 72 72 HIS H H 72 8.403 8.403 8.260 0.143 19860 5257 1 12 . 1 1 73 73 HIS N N 73 120.199 120.199 124.159 -3.960 19860 5258 1 12 . 1 1 73 73 HIS HA H 73 4.625 4.625 4.945 -0.320 19860 5259 1 12 . 1 1 73 73 HIS C C 73 174.552 174.552 173.978 0.574 19860 5260 1 12 . 1 1 73 73 HIS CA C 73 55.754 55.754 56.396 -0.642 19860 5261 1 12 . 1 1 73 73 HIS CB C 73 29.976 29.976 30.726 -0.750 19860 5262 1 12 . 1 1 73 73 HIS H H 73 8.539 8.539 8.583 -0.044 19860 5263 1 12 . 1 1 74 74 HIS N N 74 120.457 120.457 122.333 -1.876 19860 5264 1 12 . 1 1 74 74 HIS HA H 74 4.655 4.655 4.382 0.273 19860 5265 1 12 . 1 1 74 74 HIS C C 74 174.638 174.638 173.845 0.793 19860 5266 1 12 . 1 1 74 74 HIS CA C 74 55.771 55.771 56.669 -0.898 19860 5267 1 12 . 1 1 74 74 HIS CB C 74 29.916 29.916 30.647 -0.731 19860 5268 1 12 . 1 1 74 74 HIS H H 74 8.681 8.681 8.896 -0.215 19860 5269 1 12 . 1 1 75 75 HIS N N 75 120.782 120.782 119.683 1.099 19860 5270 1 12 . 1 1 75 75 HIS HA H 75 4.671 4.671 4.631 0.040 19860 5271 1 12 . 1 1 75 75 HIS C C 75 174.525 174.525 173.530 0.995 19860 5272 1 12 . 1 1 75 75 HIS CA C 75 55.758 55.758 55.749 0.009 19860 5273 1 12 . 1 1 75 75 HIS CB C 75 29.934 29.934 32.122 -2.188 19860 5274 1 12 . 1 1 75 75 HIS H H 75 8.755 8.755 8.019 0.736 19860 5275 1 12 . 1 1 76 76 HIS N N 76 120.737 120.737 125.423 -4.686 19860 5276 1 12 . 1 1 76 76 HIS HA H 76 4.666 4.666 4.600 0.066 19860 5277 1 12 . 1 1 76 76 HIS C C 76 173.873 173.873 175.167 -1.294 19860 5278 1 12 . 1 1 76 76 HIS CA C 76 55.921 55.921 56.557 -0.636 19860 5279 1 12 . 1 1 76 76 HIS CB C 76 29.848 29.848 29.117 0.730 19860 5280 1 12 . 1 1 76 76 HIS H H 76 8.693 8.693 8.484 0.209 19860 5281 1 13 . 1 1 2 2 LEU HA H 2 4.435 4.435 4.573 -0.138 19860 5282 1 13 . 1 1 2 2 LEU C C 2 176.773 176.773 176.473 0.300 19860 5283 1 13 . 1 1 2 2 LEU CA C 2 55.299 55.299 54.757 0.542 19860 5284 1 13 . 1 1 2 2 LEU CB C 2 42.529 42.529 42.858 -0.330 19860 5285 1 13 . 1 1 3 3 LYS N N 3 123.220 123.220 127.132 -3.912 19860 5286 1 13 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.482 -0.157 19860 5287 1 13 . 1 1 3 3 LYS C C 3 176.224 176.224 175.366 0.858 19860 5288 1 13 . 1 1 3 3 LYS CA C 3 56.344 56.344 56.591 -0.247 19860 5289 1 13 . 1 1 3 3 LYS CB C 3 33.335 33.335 30.834 2.501 19860 5290 1 13 . 1 1 3 3 LYS H H 3 8.520 8.520 8.834 -0.314 19860 5291 1 13 . 1 1 4 4 HIS N N 4 119.727 119.727 120.951 -1.224 19860 5292 1 13 . 1 1 4 4 HIS HA H 4 4.721 4.721 5.209 -0.488 19860 5293 1 13 . 1 1 4 4 HIS C C 4 175.318 175.318 174.281 1.037 19860 5294 1 13 . 1 1 4 4 HIS CA C 4 55.941 55.941 56.482 -0.541 19860 5295 1 13 . 1 1 4 4 HIS CB C 4 30.636 30.636 32.276 -1.641 19860 5296 1 13 . 1 1 4 4 HIS H H 4 8.486 8.486 7.874 0.612 19860 5297 1 13 . 1 1 5 5 GLY N N 5 110.318 110.318 105.880 4.438 19860 5298 1 13 . 1 1 5 5 GLY C C 5 172.966 172.966 172.715 0.251 19860 5299 1 13 . 1 1 5 5 GLY CA C 5 45.146 45.146 45.504 -0.358 19860 5300 1 13 . 1 1 5 5 GLY H H 5 8.602 8.602 7.737 0.865 19860 5301 1 13 . 1 1 6 6 LYS N N 6 120.808 120.808 123.241 -2.433 19860 5302 1 13 . 1 1 6 6 LYS HA H 6 4.438 4.438 4.630 -0.192 19860 5303 1 13 . 1 1 6 6 LYS C C 6 175.168 175.168 174.716 0.452 19860 5304 1 13 . 1 1 6 6 LYS CA C 6 56.179 56.179 54.079 2.100 19860 5305 1 13 . 1 1 6 6 LYS CB C 6 34.277 34.277 36.944 -2.667 19860 5306 1 13 . 1 1 6 6 LYS H H 6 8.275 8.275 7.932 0.343 19860 5307 1 13 . 1 1 7 7 TYR N N 7 118.666 118.666 120.038 -1.372 19860 5308 1 13 . 1 1 7 7 TYR HA H 7 5.513 5.513 5.401 0.112 19860 5309 1 13 . 1 1 7 7 TYR C C 7 176.004 176.004 176.062 -0.058 19860 5310 1 13 . 1 1 7 7 TYR CA C 7 56.971 56.971 57.635 -0.664 19860 5311 1 13 . 1 1 7 7 TYR CB C 7 41.032 41.032 39.503 1.529 19860 5312 1 13 . 1 1 7 7 TYR H H 7 8.351 8.351 8.544 -0.193 19860 5313 1 13 . 1 1 8 8 VAL N N 8 115.920 115.920 117.976 -2.056 19860 5314 1 13 . 1 1 8 8 VAL HA H 8 4.860 4.860 4.628 0.232 19860 5315 1 13 . 1 1 8 8 VAL C C 8 173.220 173.220 173.445 -0.225 19860 5316 1 13 . 1 1 8 8 VAL CA C 8 59.694 59.694 59.522 0.172 19860 5317 1 13 . 1 1 8 8 VAL CB C 8 35.246 35.246 35.075 0.171 19860 5318 1 13 . 1 1 8 8 VAL H H 8 9.057 9.057 9.094 -0.037 19860 5319 1 13 . 1 1 9 9 TYR N N 9 118.786 118.786 118.039 0.747 19860 5320 1 13 . 1 1 9 9 TYR HA H 9 5.515 5.515 5.625 -0.110 19860 5321 1 13 . 1 1 9 9 TYR C C 9 175.072 175.072 176.068 -0.996 19860 5322 1 13 . 1 1 9 9 TYR CA C 9 56.576 56.576 55.852 0.724 19860 5323 1 13 . 1 1 9 9 TYR CB C 9 41.532 41.532 41.788 -0.256 19860 5324 1 13 . 1 1 9 9 TYR H H 9 9.117 9.117 9.188 -0.071 19860 5325 1 13 . 1 1 10 10 ILE N N 10 121.376 121.376 123.011 -1.635 19860 5326 1 13 . 1 1 10 10 ILE HA H 10 4.887 4.887 4.529 0.358 19860 5327 1 13 . 1 1 10 10 ILE C C 10 176.044 176.044 175.988 0.056 19860 5328 1 13 . 1 1 10 10 ILE CA C 10 58.948 58.948 58.570 0.378 19860 5329 1 13 . 1 1 10 10 ILE CB C 10 38.537 38.537 37.428 1.109 19860 5330 1 13 . 1 1 10 10 ILE H H 10 9.514 9.514 8.958 0.556 19860 5331 1 13 . 1 1 11 11 ASP N N 11 126.501 126.501 128.410 -1.909 19860 5332 1 13 . 1 1 11 11 ASP HA H 11 4.390 4.390 3.982 0.408 19860 5333 1 13 . 1 1 11 11 ASP C C 11 175.850 175.850 176.402 -0.552 19860 5334 1 13 . 1 1 11 11 ASP CA C 11 53.377 53.377 53.692 -0.315 19860 5335 1 13 . 1 1 11 11 ASP CB C 11 41.808 41.808 40.255 1.553 19860 5336 1 13 . 1 1 11 11 ASP H H 11 8.676 8.676 8.557 0.119 19860 5337 1 13 . 1 1 12 12 LEU N N 12 127.505 127.505 125.586 1.919 19860 5338 1 13 . 1 1 12 12 LEU HA H 12 4.319 4.319 4.102 0.217 19860 5339 1 13 . 1 1 12 12 LEU C C 12 176.132 176.132 177.794 -1.662 19860 5340 1 13 . 1 1 12 12 LEU CA C 12 55.439 55.439 56.240 -0.802 19860 5341 1 13 . 1 1 12 12 LEU CB C 12 40.312 40.312 41.986 -1.675 19860 5342 1 13 . 1 1 12 12 LEU H H 12 7.692 7.692 7.647 0.045 19860 5343 1 13 . 1 1 13 13 ASN N N 13 114.351 114.351 113.850 0.501 19860 5344 1 13 . 1 1 13 13 ASN HA H 13 4.391 4.391 4.231 0.160 19860 5345 1 13 . 1 1 13 13 ASN C C 13 174.440 174.440 175.371 -0.931 19860 5346 1 13 . 1 1 13 13 ASN CA C 13 54.482 54.482 54.877 -0.395 19860 5347 1 13 . 1 1 13 13 ASN CB C 13 37.861 37.861 37.284 0.577 19860 5348 1 13 . 1 1 13 13 ASN H H 13 9.187 9.187 8.058 1.129 19860 5349 1 13 . 1 1 14 14 ASN N N 14 115.057 115.057 117.407 -2.350 19860 5350 1 13 . 1 1 14 14 ASN HA H 14 4.779 4.779 4.790 -0.011 19860 5351 1 13 . 1 1 14 14 ASN C C 14 176.213 176.213 176.042 0.171 19860 5352 1 13 . 1 1 14 14 ASN CA C 14 52.149 52.149 53.185 -1.036 19860 5353 1 13 . 1 1 14 14 ASN CB C 14 38.727 38.727 37.808 0.919 19860 5354 1 13 . 1 1 14 14 ASN H H 14 7.737 7.737 8.181 -0.444 19860 5355 1 13 . 1 1 15 15 GLY N N 15 110.453 110.453 106.678 3.775 19860 5356 1 13 . 1 1 15 15 GLY C C 15 172.968 172.968 173.333 -0.365 19860 5357 1 13 . 1 1 15 15 GLY CA C 15 45.136 45.136 45.158 -0.022 19860 5358 1 13 . 1 1 15 15 GLY H H 15 8.744 8.744 8.221 0.523 19860 5359 1 13 . 1 1 16 16 LYS N N 16 116.557 116.557 118.739 -2.182 19860 5360 1 13 . 1 1 16 16 LYS HA H 16 4.992 4.992 5.077 -0.085 19860 5361 1 13 . 1 1 16 16 LYS C C 16 175.214 175.214 174.174 1.040 19860 5362 1 13 . 1 1 16 16 LYS CA C 16 54.653 54.653 54.424 0.229 19860 5363 1 13 . 1 1 16 16 LYS CB C 16 35.359 35.359 35.607 -0.248 19860 5364 1 13 . 1 1 16 16 LYS H H 16 7.559 7.559 7.641 -0.082 19860 5365 1 13 . 1 1 17 17 TYR N N 17 117.020 117.020 116.994 0.026 19860 5366 1 13 . 1 1 17 17 TYR HA H 17 5.551 5.551 4.924 0.627 19860 5367 1 13 . 1 1 17 17 TYR C C 17 175.491 175.491 174.559 0.932 19860 5368 1 13 . 1 1 17 17 TYR CA C 17 56.255 56.255 56.937 -0.682 19860 5369 1 13 . 1 1 17 17 TYR CB C 17 42.270 42.270 42.381 -0.111 19860 5370 1 13 . 1 1 17 17 TYR H H 17 8.577 8.577 8.854 -0.277 19860 5371 1 13 . 1 1 18 18 VAL N N 18 121.032 121.032 122.001 -0.969 19860 5372 1 13 . 1 1 18 18 VAL HA H 18 5.027 5.027 4.601 0.426 19860 5373 1 13 . 1 1 18 18 VAL C C 18 174.046 174.046 174.273 -0.227 19860 5374 1 13 . 1 1 18 18 VAL CA C 18 59.711 59.711 60.238 -0.527 19860 5375 1 13 . 1 1 18 18 VAL CB C 18 35.076 35.076 34.422 0.653 19860 5376 1 13 . 1 1 18 18 VAL H H 18 8.829 8.829 8.392 0.437 19860 5377 1 13 . 1 1 19 19 LYS N N 19 130.251 130.251 130.073 0.178 19860 5378 1 13 . 1 1 19 19 LYS HA H 19 4.055 4.055 4.766 -0.711 19860 5379 1 13 . 1 1 19 19 LYS C C 19 175.628 175.628 175.085 0.543 19860 5380 1 13 . 1 1 19 19 LYS CA C 19 56.975 56.975 55.294 1.681 19860 5381 1 13 . 1 1 19 19 LYS CB C 19 33.380 33.380 32.941 0.440 19860 5382 1 13 . 1 1 19 19 LYS H H 19 8.388 8.388 8.150 0.238 19860 5383 1 13 . 1 1 20 20 VAL N N 20 127.530 127.530 125.658 1.872 19860 5384 1 13 . 1 1 20 20 VAL HA H 20 4.946 4.946 4.370 0.576 19860 5385 1 13 . 1 1 20 20 VAL C C 20 173.581 173.581 173.746 -0.165 19860 5386 1 13 . 1 1 20 20 VAL CA C 20 60.483 60.483 58.909 1.574 19860 5387 1 13 . 1 1 20 20 VAL CB C 20 35.665 35.665 36.071 -0.406 19860 5388 1 13 . 1 1 20 20 VAL H H 20 9.428 9.428 9.041 0.387 19860 5389 1 13 . 1 1 21 21 ARG N N 21 125.804 125.804 127.051 -1.247 19860 5390 1 13 . 1 1 21 21 ARG HA H 21 4.716 4.716 4.621 0.095 19860 5391 1 13 . 1 1 21 21 ARG C C 21 174.905 174.905 175.658 -0.753 19860 5392 1 13 . 1 1 21 21 ARG CA C 21 54.864 54.864 55.121 -0.257 19860 5393 1 13 . 1 1 21 21 ARG CB C 21 32.881 32.881 30.739 2.142 19860 5394 1 13 . 1 1 21 21 ARG H H 21 9.084 9.084 8.608 0.476 19860 5395 1 13 . 1 1 22 22 ILE N N 22 124.167 124.167 126.847 -2.680 19860 5396 1 13 . 1 1 22 22 ILE HA H 22 4.624 4.624 4.209 0.415 19860 5397 1 13 . 1 1 22 22 ILE C C 22 175.887 175.887 174.877 1.010 19860 5398 1 13 . 1 1 22 22 ILE CA C 22 59.717 59.717 59.814 -0.097 19860 5399 1 13 . 1 1 22 22 ILE CB C 22 38.699 38.699 36.659 2.040 19860 5400 1 13 . 1 1 22 22 ILE H H 22 8.554 8.554 8.975 -0.421 19860 5401 1 13 . 1 1 23 23 LEU N N 23 128.981 128.981 129.599 -0.618 19860 5402 1 13 . 1 1 23 23 LEU HA H 23 4.663 4.663 4.417 0.246 19860 5403 1 13 . 1 1 23 23 LEU C C 23 176.174 176.174 175.656 0.518 19860 5404 1 13 . 1 1 23 23 LEU CA C 23 53.897 53.897 54.004 -0.107 19860 5405 1 13 . 1 1 23 23 LEU CB C 23 43.556 43.556 41.500 2.056 19860 5406 1 13 . 1 1 23 23 LEU H H 23 8.835 8.835 8.764 0.071 19860 5407 1 13 . 1 1 24 24 LYS N N 24 122.797 122.797 126.512 -3.715 19860 5408 1 13 . 1 1 24 24 LYS HA H 24 4.568 4.568 4.567 0.000 19860 5409 1 13 . 1 1 24 24 LYS C C 24 176.407 176.407 175.035 1.372 19860 5410 1 13 . 1 1 24 24 LYS CA C 24 55.808 55.808 54.765 1.043 19860 5411 1 13 . 1 1 24 24 LYS CB C 24 34.082 34.082 33.262 0.820 19860 5412 1 13 . 1 1 24 24 LYS H H 24 8.566 8.566 8.669 -0.103 19860 5413 1 13 . 1 1 25 25 SER N N 25 118.453 118.453 122.783 -4.330 19860 5414 1 13 . 1 1 25 25 SER HA H 25 4.477 4.477 4.702 -0.225 19860 5415 1 13 . 1 1 25 25 SER C C 25 175.038 175.038 174.008 1.030 19860 5416 1 13 . 1 1 25 25 SER CA C 25 58.146 58.146 56.408 1.738 19860 5417 1 13 . 1 1 25 25 SER CB C 25 63.977 63.977 62.967 1.010 19860 5418 1 13 . 1 1 25 25 SER H H 25 8.668 8.668 8.967 -0.299 19860 5419 1 13 . 1 1 26 26 ARG N N 26 123.008 123.008 124.764 -1.756 19860 5420 1 13 . 1 1 26 26 ARG HA H 26 4.284 4.284 4.111 0.173 19860 5421 1 13 . 1 1 26 26 ARG C C 26 176.640 176.640 177.389 -0.749 19860 5422 1 13 . 1 1 26 26 ARG CA C 26 57.171 57.171 58.973 -1.802 19860 5423 1 13 . 1 1 26 26 ARG CB C 26 30.748 30.748 29.999 0.749 19860 5424 1 13 . 1 1 26 26 ARG H H 26 8.667 8.667 8.353 0.314 19860 5425 1 13 . 1 1 27 27 ASP N N 27 118.281 118.281 118.243 0.038 19860 5426 1 13 . 1 1 27 27 ASP HA H 27 4.598 4.598 4.451 0.147 19860 5427 1 13 . 1 1 27 27 ASP C C 27 176.028 176.028 176.783 -0.755 19860 5428 1 13 . 1 1 27 27 ASP CA C 27 54.657 54.657 56.489 -1.832 19860 5429 1 13 . 1 1 27 27 ASP CB C 27 41.416 41.416 39.629 1.787 19860 5430 1 13 . 1 1 27 27 ASP H H 27 8.246 8.246 8.656 -0.410 19860 5431 1 13 . 1 1 28 28 ASP N N 28 118.646 118.646 120.288 -1.642 19860 5432 1 13 . 1 1 28 28 ASP HA H 28 4.563 4.563 4.501 0.062 19860 5433 1 13 . 1 1 28 28 ASP C C 28 176.165 176.165 176.270 -0.105 19860 5434 1 13 . 1 1 28 28 ASP CA C 28 54.822 54.822 56.059 -1.237 19860 5435 1 13 . 1 1 28 28 ASP CB C 28 41.150 41.150 41.880 -0.730 19860 5436 1 13 . 1 1 28 28 ASP H H 28 8.034 8.034 8.128 -0.094 19860 5437 1 13 . 1 1 29 29 ASN N N 29 117.519 117.519 116.483 1.036 19860 5438 1 13 . 1 1 29 29 ASN HA H 29 4.734 4.734 4.723 0.011 19860 5439 1 13 . 1 1 29 29 ASN C C 29 175.116 175.116 173.760 1.356 19860 5440 1 13 . 1 1 29 29 ASN CA C 29 53.951 53.951 53.598 0.353 19860 5441 1 13 . 1 1 29 29 ASN CB C 29 38.779 38.779 38.150 0.629 19860 5442 1 13 . 1 1 29 29 ASN H H 29 8.473 8.473 7.682 0.791 19860 5443 1 13 . 1 1 30 30 SER N N 30 114.910 114.910 114.105 0.805 19860 5444 1 13 . 1 1 30 30 SER HA H 30 4.493 4.493 3.990 0.503 19860 5445 1 13 . 1 1 30 30 SER C C 30 174.235 174.235 174.251 -0.016 19860 5446 1 13 . 1 1 30 30 SER CA C 30 58.669 58.669 59.789 -1.120 19860 5447 1 13 . 1 1 30 30 SER CB C 30 64.403 64.403 62.120 2.283 19860 5448 1 13 . 1 1 30 30 SER H H 30 8.206 8.206 8.083 0.123 19860 5449 1 13 . 1 1 31 31 VAL N N 31 121.640 121.640 120.348 1.292 19860 5450 1 13 . 1 1 31 31 VAL HA H 31 4.090 4.090 3.875 0.215 19860 5451 1 13 . 1 1 31 31 VAL C C 31 175.873 175.873 175.035 0.838 19860 5452 1 13 . 1 1 31 31 VAL CA C 31 62.939 62.939 63.113 -0.174 19860 5453 1 13 . 1 1 31 31 VAL CB C 31 32.878 32.878 32.452 0.426 19860 5454 1 13 . 1 1 31 31 VAL H H 31 8.242 8.242 7.741 0.501 19860 5455 1 13 . 1 1 32 32 GLU N N 32 125.144 125.144 127.417 -2.273 19860 5456 1 13 . 1 1 32 32 GLU HA H 32 4.417 4.417 5.121 -0.704 19860 5457 1 13 . 1 1 32 32 GLU C C 32 175.532 175.532 175.102 0.430 19860 5458 1 13 . 1 1 32 32 GLU CA C 32 56.886 56.886 54.883 2.003 19860 5459 1 13 . 1 1 32 32 GLU CB C 32 31.059 31.059 30.998 0.061 19860 5460 1 13 . 1 1 32 32 GLU H H 32 8.679 8.679 8.603 0.076 19860 5461 1 13 . 1 1 33 33 LYS N N 33 120.222 120.222 121.566 -1.344 19860 5462 1 13 . 1 1 33 33 LYS HA H 33 4.574 4.574 3.947 0.627 19860 5463 1 13 . 1 1 33 33 LYS C C 33 174.194 174.194 173.944 0.250 19860 5464 1 13 . 1 1 33 33 LYS CA C 33 55.324 55.324 53.654 1.669 19860 5465 1 13 . 1 1 33 33 LYS CB C 33 35.258 35.258 36.054 -0.796 19860 5466 1 13 . 1 1 33 33 LYS H H 33 8.229 8.229 8.051 0.178 19860 5467 1 13 . 1 1 34 34 TYR N N 34 121.014 121.014 116.179 4.835 19860 5468 1 13 . 1 1 34 34 TYR HA H 34 4.910 4.910 5.039 -0.129 19860 5469 1 13 . 1 1 34 34 TYR C C 34 175.667 175.667 175.514 0.153 19860 5470 1 13 . 1 1 34 34 TYR CA C 34 56.984 56.984 57.144 -0.160 19860 5471 1 13 . 1 1 34 34 TYR CB C 34 40.036 40.036 40.709 -0.673 19860 5472 1 13 . 1 1 34 34 TYR H H 34 8.552 8.552 8.027 0.525 19860 5473 1 13 . 1 1 35 35 VAL N N 35 124.624 124.624 120.726 3.898 19860 5474 1 13 . 1 1 35 35 VAL HA H 35 4.301 4.301 4.119 0.182 19860 5475 1 13 . 1 1 35 35 VAL C C 35 175.490 175.490 176.381 -0.891 19860 5476 1 13 . 1 1 35 35 VAL CA C 35 61.869 61.869 62.065 -0.196 19860 5477 1 13 . 1 1 35 35 VAL CB C 35 33.510 33.510 33.697 -0.187 19860 5478 1 13 . 1 1 35 35 VAL H H 35 9.337 9.337 8.366 0.971 19860 5479 1 13 . 1 1 36 36 LEU N N 36 127.814 127.814 121.161 6.653 19860 5480 1 13 . 1 1 36 36 LEU HA H 36 4.326 4.326 4.417 -0.091 19860 5481 1 13 . 1 1 36 36 LEU C C 36 177.355 177.355 177.176 0.179 19860 5482 1 13 . 1 1 36 36 LEU CA C 36 56.612 56.612 54.551 2.061 19860 5483 1 13 . 1 1 36 36 LEU CB C 36 41.899 41.899 41.122 0.777 19860 5484 1 13 . 1 1 36 36 LEU H H 36 8.845 8.845 8.351 0.494 19860 5485 1 13 . 1 1 37 37 THR N N 37 112.016 112.016 113.104 -1.088 19860 5486 1 13 . 1 1 37 37 THR HA H 37 4.904 4.904 4.211 0.693 19860 5487 1 13 . 1 1 37 37 THR C C 37 173.228 173.228 174.074 -0.846 19860 5488 1 13 . 1 1 37 37 THR CA C 37 61.023 61.023 62.057 -1.034 19860 5489 1 13 . 1 1 37 37 THR CB C 37 70.829 70.829 69.079 1.750 19860 5490 1 13 . 1 1 37 37 THR H H 37 7.374 7.374 7.657 -0.283 19860 5491 1 13 . 1 1 38 38 SER N N 38 111.049 111.049 118.964 -7.915 19860 5492 1 13 . 1 1 38 38 SER HA H 38 4.635 4.635 4.712 -0.077 19860 5493 1 13 . 1 1 38 38 SER C C 38 174.606 174.606 173.372 1.234 19860 5494 1 13 . 1 1 38 38 SER CA C 38 57.957 57.957 57.155 0.802 19860 5495 1 13 . 1 1 38 38 SER CB C 38 63.849 63.849 63.454 0.395 19860 5496 1 13 . 1 1 38 38 SER H H 38 8.387 8.387 8.210 0.177 19860 5497 1 13 . 1 1 39 39 HIS N N 39 122.230 122.230 122.456 -0.226 19860 5498 1 13 . 1 1 39 39 HIS HA H 39 4.768 4.768 4.405 0.363 19860 5499 1 13 . 1 1 39 39 HIS C C 39 173.143 173.143 174.364 -1.221 19860 5500 1 13 . 1 1 39 39 HIS CA C 39 56.328 56.328 56.388 -0.060 19860 5501 1 13 . 1 1 39 39 HIS CB C 39 29.938 29.938 30.031 -0.093 19860 5502 1 13 . 1 1 39 39 HIS H H 39 8.424 8.424 7.455 0.969 19860 5503 1 13 . 1 1 40 40 VAL N N 40 126.582 126.582 121.395 5.187 19860 5504 1 13 . 1 1 40 40 VAL HA H 40 4.915 4.915 4.653 0.262 19860 5505 1 13 . 1 1 40 40 VAL C C 40 175.763 175.763 175.385 0.378 19860 5506 1 13 . 1 1 40 40 VAL CA C 40 60.612 60.612 60.207 0.405 19860 5507 1 13 . 1 1 40 40 VAL CB C 40 34.085 34.085 32.450 1.635 19860 5508 1 13 . 1 1 40 40 VAL H H 40 8.364 8.364 8.193 0.171 19860 5509 1 13 . 1 1 41 41 SER N N 41 121.067 121.067 120.472 0.595 19860 5510 1 13 . 1 1 41 41 SER HA H 41 4.947 4.947 4.892 0.055 19860 5511 1 13 . 1 1 41 41 SER C C 41 174.505 174.505 174.715 -0.210 19860 5512 1 13 . 1 1 41 41 SER CA C 41 57.001 57.001 57.136 -0.135 19860 5513 1 13 . 1 1 41 41 SER CB C 41 65.504 65.504 65.216 0.288 19860 5514 1 13 . 1 1 41 41 SER H H 41 9.297 9.297 9.134 0.163 19860 5515 1 13 . 1 1 42 42 LYS N N 42 123.812 123.812 122.404 1.408 19860 5516 1 13 . 1 1 42 42 LYS HA H 42 4.905 4.905 4.326 0.579 19860 5517 1 13 . 1 1 42 42 LYS C C 42 175.037 175.037 175.179 -0.142 19860 5518 1 13 . 1 1 42 42 LYS CA C 42 56.600 56.600 56.786 -0.186 19860 5519 1 13 . 1 1 42 42 LYS CB C 42 32.827 32.827 32.477 0.349 19860 5520 1 13 . 1 1 42 42 LYS H H 42 8.962 8.962 8.667 0.295 19860 5521 1 13 . 1 1 43 43 ASN N N 43 115.779 115.779 117.394 -1.615 19860 5522 1 13 . 1 1 43 43 ASN HA H 43 4.906 4.906 4.800 0.106 19860 5523 1 13 . 1 1 43 43 ASN C C 43 173.479 173.479 174.362 -0.883 19860 5524 1 13 . 1 1 43 43 ASN CA C 43 51.840 51.840 52.315 -0.475 19860 5525 1 13 . 1 1 43 43 ASN CB C 43 40.763 40.763 41.534 -0.771 19860 5526 1 13 . 1 1 43 43 ASN H H 43 8.053 8.053 7.954 0.099 19860 5527 1 13 . 1 1 44 44 ARG N N 44 124.471 124.471 121.451 3.020 19860 5528 1 13 . 1 1 44 44 ARG HA H 44 3.217 3.217 3.812 -0.595 19860 5529 1 13 . 1 1 44 44 ARG C C 44 173.869 173.869 174.102 -0.233 19860 5530 1 13 . 1 1 44 44 ARG CA C 44 54.034 54.034 54.058 -0.024 19860 5531 1 13 . 1 1 44 44 ARG CB C 44 29.917 29.917 29.665 0.252 19860 5532 1 13 . 1 1 44 44 ARG H H 44 8.565 8.565 8.268 0.297 19860 5533 1 13 . 1 1 45 45 PRO HA H 45 4.123 4.123 4.291 -0.168 19860 5534 1 13 . 1 1 45 45 PRO C C 45 176.434 176.434 176.158 0.276 19860 5535 1 13 . 1 1 45 45 PRO CA C 45 62.292 62.292 62.068 0.224 19860 5536 1 13 . 1 1 45 45 PRO CB C 45 32.110 32.110 32.134 -0.024 19860 5537 1 13 . 1 1 46 46 LYS N N 46 122.529 122.529 123.836 -1.307 19860 5538 1 13 . 1 1 46 46 LYS HA H 46 4.110 4.110 4.049 0.061 19860 5539 1 13 . 1 1 46 46 LYS C C 46 176.931 176.931 176.266 0.665 19860 5540 1 13 . 1 1 46 46 LYS CA C 46 57.000 57.000 57.804 -0.804 19860 5541 1 13 . 1 1 46 46 LYS CB C 46 33.095 33.095 32.615 0.480 19860 5542 1 13 . 1 1 46 46 LYS H H 46 8.470 8.470 8.565 -0.095 19860 5543 1 13 . 1 1 47 47 ASN N N 47 117.122 117.122 118.877 -1.755 19860 5544 1 13 . 1 1 47 47 ASN HA H 47 4.589 4.589 4.825 -0.236 19860 5545 1 13 . 1 1 47 47 ASN C C 47 174.011 174.011 173.682 0.329 19860 5546 1 13 . 1 1 47 47 ASN CA C 47 53.493 53.493 52.903 0.590 19860 5547 1 13 . 1 1 47 47 ASN CB C 47 37.868 37.868 37.730 0.138 19860 5548 1 13 . 1 1 47 47 ASN H H 47 8.745 8.745 8.211 0.534 19860 5549 1 13 . 1 1 48 48 ALA N N 48 119.908 119.908 122.674 -2.766 19860 5550 1 13 . 1 1 48 48 ALA HA H 48 4.609 4.609 4.566 0.043 19860 5551 1 13 . 1 1 48 48 ALA C C 48 176.506 176.506 175.450 1.056 19860 5552 1 13 . 1 1 48 48 ALA CA C 48 51.136 51.136 51.528 -0.392 19860 5553 1 13 . 1 1 48 48 ALA CB C 48 22.389 22.389 21.436 0.953 19860 5554 1 13 . 1 1 48 48 ALA H H 48 7.394 7.394 7.659 -0.265 19860 5555 1 13 . 1 1 49 49 ILE N N 49 123.192 123.192 122.488 0.704 19860 5556 1 13 . 1 1 49 49 ILE HA H 49 4.140 4.140 4.402 -0.262 19860 5557 1 13 . 1 1 49 49 ILE C C 49 174.731 174.731 175.203 -0.472 19860 5558 1 13 . 1 1 49 49 ILE CA C 49 61.597 61.597 60.520 1.077 19860 5559 1 13 . 1 1 49 49 ILE CB C 49 38.166 38.166 37.102 1.064 19860 5560 1 13 . 1 1 49 49 ILE H H 49 8.878 8.878 8.795 0.083 19860 5561 1 13 . 1 1 50 50 VAL N N 50 127.552 127.552 123.968 3.584 19860 5562 1 13 . 1 1 50 50 VAL HA H 50 5.289 5.289 5.678 -0.389 19860 5563 1 13 . 1 1 50 50 VAL C C 50 176.411 176.411 175.300 1.111 19860 5564 1 13 . 1 1 50 50 VAL CA C 50 60.499 60.499 59.402 1.097 19860 5565 1 13 . 1 1 50 50 VAL CB C 50 33.890 33.890 33.655 0.235 19860 5566 1 13 . 1 1 50 50 VAL H H 50 8.371 8.371 8.387 -0.016 19860 5567 1 13 . 1 1 51 51 ILE N N 51 126.906 126.906 126.712 0.194 19860 5568 1 13 . 1 1 51 51 ILE HA H 51 4.691 4.691 4.382 0.309 19860 5569 1 13 . 1 1 51 51 ILE C C 51 175.322 175.322 175.129 0.193 19860 5570 1 13 . 1 1 51 51 ILE CA C 51 59.439 59.439 60.179 -0.741 19860 5571 1 13 . 1 1 51 51 ILE CB C 51 41.189 41.189 40.628 0.561 19860 5572 1 13 . 1 1 51 51 ILE H H 51 9.314 9.314 9.163 0.151 19860 5573 1 13 . 1 1 52 52 LYS N N 52 123.523 123.523 128.094 -4.571 19860 5574 1 13 . 1 1 52 52 LYS HA H 52 4.686 4.686 4.517 0.169 19860 5575 1 13 . 1 1 52 52 LYS C C 52 178.237 178.237 178.071 0.166 19860 5576 1 13 . 1 1 52 52 LYS CA C 52 56.120 56.120 56.599 -0.479 19860 5577 1 13 . 1 1 52 52 LYS CB C 52 33.392 33.392 33.332 0.060 19860 5578 1 13 . 1 1 52 52 LYS H H 52 8.737 8.737 8.782 -0.045 19860 5579 1 13 . 1 1 53 53 MET N N 53 119.701 119.701 124.226 -4.525 19860 5580 1 13 . 1 1 53 53 MET HA H 53 3.908 3.908 3.976 -0.068 19860 5581 1 13 . 1 1 53 53 MET C C 53 177.401 177.401 178.081 -0.680 19860 5582 1 13 . 1 1 53 53 MET CA C 53 58.725 58.725 60.168 -1.443 19860 5583 1 13 . 1 1 53 53 MET CB C 53 33.383 33.383 32.150 1.233 19860 5584 1 13 . 1 1 53 53 MET H H 53 8.799 8.799 8.247 0.552 19860 5585 1 13 . 1 1 54 54 ASP N N 54 113.357 113.357 118.442 -5.085 19860 5586 1 13 . 1 1 54 54 ASP HA H 54 4.288 4.288 4.310 -0.022 19860 5587 1 13 . 1 1 54 54 ASP C C 54 176.649 176.649 177.083 -0.434 19860 5588 1 13 . 1 1 54 54 ASP CA C 54 56.682 56.682 56.758 -0.076 19860 5589 1 13 . 1 1 54 54 ASP CB C 54 40.670 40.670 40.467 0.203 19860 5590 1 13 . 1 1 54 54 ASP H H 54 8.262 8.262 8.623 -0.361 19860 5591 1 13 . 1 1 55 55 ASN N N 55 114.935 114.935 116.040 -1.105 19860 5592 1 13 . 1 1 55 55 ASN HA H 55 5.001 5.001 4.785 0.216 19860 5593 1 13 . 1 1 55 55 ASN C C 55 175.032 175.032 174.998 0.034 19860 5594 1 13 . 1 1 55 55 ASN CA C 55 52.897 52.897 53.533 -0.636 19860 5595 1 13 . 1 1 55 55 ASN CB C 55 39.184 39.184 39.871 -0.687 19860 5596 1 13 . 1 1 55 55 ASN H H 55 7.971 7.971 7.931 0.040 19860 5597 1 13 . 1 1 56 56 LEU N N 56 120.385 120.385 121.793 -1.408 19860 5598 1 13 . 1 1 56 56 LEU HA H 56 4.488 4.488 4.573 -0.085 19860 5599 1 13 . 1 1 56 56 LEU C C 56 174.131 174.131 174.389 -0.258 19860 5600 1 13 . 1 1 56 56 LEU CA C 56 52.912 52.912 51.361 1.551 19860 5601 1 13 . 1 1 56 56 LEU CB C 56 41.958 41.958 40.963 0.995 19860 5602 1 13 . 1 1 56 56 LEU H H 56 7.331 7.331 7.682 -0.351 19860 5603 1 13 . 1 1 57 57 PRO HA H 57 4.617 4.617 4.572 0.045 19860 5604 1 13 . 1 1 57 57 PRO C C 57 178.627 178.627 177.772 0.855 19860 5605 1 13 . 1 1 57 57 PRO CA C 57 62.751 62.751 62.533 0.218 19860 5606 1 13 . 1 1 57 57 PRO CB C 57 32.718 32.718 32.466 0.252 19860 5607 1 13 . 1 1 58 58 ILE N N 58 125.295 125.295 119.221 6.074 19860 5608 1 13 . 1 1 58 58 ILE HA H 58 3.783 3.783 3.762 0.021 19860 5609 1 13 . 1 1 58 58 ILE C C 58 176.776 176.776 177.656 -0.880 19860 5610 1 13 . 1 1 58 58 ILE CA C 58 64.583 64.583 63.928 0.655 19860 5611 1 13 . 1 1 58 58 ILE CB C 58 37.959 37.959 37.233 0.726 19860 5612 1 13 . 1 1 58 58 ILE H H 58 8.882 8.882 8.441 0.441 19860 5613 1 13 . 1 1 59 59 GLU N N 59 118.869 118.869 120.538 -1.669 19860 5614 1 13 . 1 1 59 59 GLU HA H 59 4.254 4.254 4.018 0.236 19860 5615 1 13 . 1 1 59 59 GLU C C 59 179.370 179.370 179.045 0.325 19860 5616 1 13 . 1 1 59 59 GLU CA C 59 59.757 59.757 59.748 0.009 19860 5617 1 13 . 1 1 59 59 GLU CB C 59 29.053 29.053 29.003 0.050 19860 5618 1 13 . 1 1 59 59 GLU H H 59 9.348 9.348 8.738 0.610 19860 5619 1 13 . 1 1 60 60 VAL N N 60 118.990 118.990 119.739 -0.749 19860 5620 1 13 . 1 1 60 60 VAL HA H 60 3.772 3.772 3.617 0.155 19860 5621 1 13 . 1 1 60 60 VAL C C 60 177.451 177.451 177.904 -0.453 19860 5622 1 13 . 1 1 60 60 VAL CA C 60 65.331 65.331 66.251 -0.920 19860 5623 1 13 . 1 1 60 60 VAL CB C 60 31.869 31.869 31.656 0.213 19860 5624 1 13 . 1 1 60 60 VAL H H 60 7.290 7.290 7.591 -0.301 19860 5625 1 13 . 1 1 61 61 LYS N N 61 120.824 120.824 119.444 1.380 19860 5626 1 13 . 1 1 61 61 LYS HA H 61 3.782 3.782 3.896 -0.114 19860 5627 1 13 . 1 1 61 61 LYS C C 61 179.444 179.444 178.658 0.786 19860 5628 1 13 . 1 1 61 61 LYS CA C 61 61.060 61.060 59.996 1.064 19860 5629 1 13 . 1 1 61 61 LYS CB C 61 32.196 32.196 31.883 0.313 19860 5630 1 13 . 1 1 61 61 LYS H H 61 8.043 8.043 8.198 -0.155 19860 5631 1 13 . 1 1 62 62 ASP N N 62 119.231 119.231 120.073 -0.842 19860 5632 1 13 . 1 1 62 62 ASP HA H 62 4.427 4.427 4.347 0.080 19860 5633 1 13 . 1 1 62 62 ASP C C 62 178.420 178.420 178.127 0.293 19860 5634 1 13 . 1 1 62 62 ASP CA C 62 57.851 57.851 57.712 0.140 19860 5635 1 13 . 1 1 62 62 ASP CB C 62 40.780 40.780 40.909 -0.129 19860 5636 1 13 . 1 1 62 62 ASP H H 62 8.766 8.766 8.427 0.339 19860 5637 1 13 . 1 1 63 63 LYS N N 63 119.623 119.623 119.483 0.140 19860 5638 1 13 . 1 1 63 63 LYS HA H 63 4.025 4.025 4.097 -0.072 19860 5639 1 13 . 1 1 63 63 LYS C C 63 178.866 178.866 179.485 -0.619 19860 5640 1 13 . 1 1 63 63 LYS CA C 63 59.667 59.667 59.108 0.559 19860 5641 1 13 . 1 1 63 63 LYS CB C 63 32.929 32.929 32.589 0.340 19860 5642 1 13 . 1 1 63 63 LYS H H 63 7.391 7.391 7.552 -0.161 19860 5643 1 13 . 1 1 64 64 LEU N N 64 118.806 118.806 120.061 -1.255 19860 5644 1 13 . 1 1 64 64 LEU HA H 64 4.216 4.216 3.810 0.406 19860 5645 1 13 . 1 1 64 64 LEU C C 64 178.793 178.793 178.304 0.489 19860 5646 1 13 . 1 1 64 64 LEU CA C 64 58.011 58.011 57.884 0.127 19860 5647 1 13 . 1 1 64 64 LEU CB C 64 42.251 42.251 41.497 0.754 19860 5648 1 13 . 1 1 64 64 LEU H H 64 8.357 8.357 8.533 -0.176 19860 5649 1 13 . 1 1 65 65 THR N N 65 115.102 115.102 115.246 -0.144 19860 5650 1 13 . 1 1 65 65 THR HA H 65 3.920 3.920 3.682 0.238 19860 5651 1 13 . 1 1 65 65 THR C C 65 176.410 176.410 176.413 -0.003 19860 5652 1 13 . 1 1 65 65 THR CA C 65 66.705 66.705 67.296 -0.591 19860 5653 1 13 . 1 1 65 65 THR CB C 65 68.876 68.876 68.542 0.334 19860 5654 1 13 . 1 1 65 65 THR H H 65 8.343 8.343 8.229 0.114 19860 5655 1 13 . 1 1 66 66 ARG N N 66 119.405 119.405 118.357 1.048 19860 5656 1 13 . 1 1 66 66 ARG HA H 66 4.067 4.067 4.221 -0.154 19860 5657 1 13 . 1 1 66 66 ARG C C 66 177.988 177.988 177.509 0.479 19860 5658 1 13 . 1 1 66 66 ARG CA C 66 58.961 58.961 58.786 0.175 19860 5659 1 13 . 1 1 66 66 ARG CB C 66 30.302 30.302 30.161 0.141 19860 5660 1 13 . 1 1 66 66 ARG H H 66 7.832 7.832 7.919 -0.087 19860 5661 1 13 . 1 1 67 67 PHE N N 67 117.304 117.304 119.726 -2.422 19860 5662 1 13 . 1 1 67 67 PHE HA H 67 4.323 4.323 4.345 -0.022 19860 5663 1 13 . 1 1 67 67 PHE C C 67 177.141 177.141 176.148 0.993 19860 5664 1 13 . 1 1 67 67 PHE CA C 67 59.989 59.989 60.792 -0.803 19860 5665 1 13 . 1 1 67 67 PHE CB C 67 39.269 39.269 40.177 -0.908 19860 5666 1 13 . 1 1 67 67 PHE H H 67 8.190 8.190 7.594 0.596 19860 5667 1 13 . 1 1 68 68 PHE N N 68 114.297 114.297 112.892 1.405 19860 5668 1 13 . 1 1 68 68 PHE HA H 68 4.696 4.696 4.796 -0.100 19860 5669 1 13 . 1 1 68 68 PHE C C 68 175.969 175.969 176.033 -0.064 19860 5670 1 13 . 1 1 68 68 PHE CA C 68 59.112 59.112 57.678 1.434 19860 5671 1 13 . 1 1 68 68 PHE CB C 68 40.100 40.100 39.164 0.936 19860 5672 1 13 . 1 1 68 68 PHE H H 68 8.087 8.087 7.559 0.528 19860 5673 1 13 . 1 1 69 69 LEU N N 69 119.594 119.594 122.151 -2.557 19860 5674 1 13 . 1 1 69 69 LEU HA H 69 4.476 4.476 4.279 0.197 19860 5675 1 13 . 1 1 69 69 LEU C C 69 177.425 177.425 177.602 -0.177 19860 5676 1 13 . 1 1 69 69 LEU CA C 69 55.805 55.805 56.801 -0.996 19860 5677 1 13 . 1 1 69 69 LEU CB C 69 41.399 41.399 42.852 -1.452 19860 5678 1 13 . 1 1 69 69 LEU H H 69 7.823 7.823 6.998 0.825 19860 5679 1 13 . 1 1 70 70 LEU N N 70 119.723 119.723 115.040 4.683 19860 5680 1 13 . 1 1 70 70 LEU HA H 70 4.341 4.341 3.966 0.375 19860 5681 1 13 . 1 1 70 70 LEU C C 70 177.443 177.443 175.793 1.650 19860 5682 1 13 . 1 1 70 70 LEU CA C 70 55.288 55.288 55.597 -0.309 19860 5683 1 13 . 1 1 70 70 LEU CB C 70 42.205 42.205 39.186 3.019 19860 5684 1 13 . 1 1 70 70 LEU H H 70 7.905 7.905 8.004 -0.099 19860 5685 1 13 . 1 1 71 71 GLU N N 71 120.533 120.533 118.924 1.609 19860 5686 1 13 . 1 1 71 71 GLU HA H 71 4.200 4.200 4.170 0.030 19860 5687 1 13 . 1 1 71 71 GLU C C 71 176.250 176.250 175.393 0.857 19860 5688 1 13 . 1 1 71 71 GLU CA C 71 56.609 56.609 56.544 0.065 19860 5689 1 13 . 1 1 71 71 GLU CB C 71 30.475 30.475 30.223 0.252 19860 5690 1 13 . 1 1 71 71 GLU H H 71 8.244 8.244 8.115 0.129 19860 5691 1 13 . 1 1 72 72 HIS N N 72 119.783 119.783 122.088 -2.305 19860 5692 1 13 . 1 1 72 72 HIS HA H 72 4.623 4.623 5.107 -0.484 19860 5693 1 13 . 1 1 72 72 HIS C C 72 174.645 174.645 175.722 -1.077 19860 5694 1 13 . 1 1 72 72 HIS CA C 72 55.737 55.737 55.192 0.545 19860 5695 1 13 . 1 1 72 72 HIS CB C 72 29.901 29.901 32.359 -2.458 19860 5696 1 13 . 1 1 72 72 HIS H H 72 8.403 8.403 8.480 -0.077 19860 5697 1 13 . 1 1 73 73 HIS N N 73 120.199 120.199 118.873 1.326 19860 5698 1 13 . 1 1 73 73 HIS HA H 73 4.625 4.625 4.137 0.488 19860 5699 1 13 . 1 1 73 73 HIS C C 73 174.552 174.552 175.435 -0.883 19860 5700 1 13 . 1 1 73 73 HIS CA C 73 55.754 55.754 58.567 -2.813 19860 5701 1 13 . 1 1 73 73 HIS CB C 73 29.976 29.976 29.080 0.896 19860 5702 1 13 . 1 1 73 73 HIS H H 73 8.539 8.539 9.188 -0.649 19860 5703 1 13 . 1 1 74 74 HIS N N 74 120.457 120.457 117.583 2.874 19860 5704 1 13 . 1 1 74 74 HIS HA H 74 4.655 4.655 4.289 0.366 19860 5705 1 13 . 1 1 74 74 HIS C C 74 174.638 174.638 174.692 -0.054 19860 5706 1 13 . 1 1 74 74 HIS CA C 74 55.771 55.771 56.781 -1.010 19860 5707 1 13 . 1 1 74 74 HIS CB C 74 29.916 29.916 30.135 -0.219 19860 5708 1 13 . 1 1 74 74 HIS H H 74 8.681 8.681 8.084 0.597 19860 5709 1 13 . 1 1 75 75 HIS N N 75 120.782 120.782 115.494 5.288 19860 5710 1 13 . 1 1 75 75 HIS HA H 75 4.671 4.671 4.716 -0.045 19860 5711 1 13 . 1 1 75 75 HIS C C 75 174.525 174.525 173.732 0.793 19860 5712 1 13 . 1 1 75 75 HIS CA C 75 55.758 55.758 55.304 0.454 19860 5713 1 13 . 1 1 75 75 HIS CB C 75 29.934 29.934 32.912 -2.978 19860 5714 1 13 . 1 1 75 75 HIS H H 75 8.755 8.755 7.467 1.288 19860 5715 1 13 . 1 1 76 76 HIS N N 76 120.737 120.737 122.165 -1.428 19860 5716 1 13 . 1 1 76 76 HIS HA H 76 4.666 4.666 4.928 -0.262 19860 5717 1 13 . 1 1 76 76 HIS C C 76 173.873 173.873 173.647 0.226 19860 5718 1 13 . 1 1 76 76 HIS CA C 76 55.921 55.921 55.430 0.491 19860 5719 1 13 . 1 1 76 76 HIS CB C 76 29.848 29.848 29.507 0.341 19860 5720 1 13 . 1 1 76 76 HIS H H 76 8.693 8.693 8.834 -0.141 19860 5721 1 14 . 1 1 2 2 LEU HA H 2 4.435 4.435 5.416 -0.981 19860 5722 1 14 . 1 1 2 2 LEU C C 2 176.773 176.773 175.139 1.634 19860 5723 1 14 . 1 1 2 2 LEU CA C 2 55.299 55.299 55.288 0.011 19860 5724 1 14 . 1 1 2 2 LEU CB C 2 42.529 42.529 44.224 -1.695 19860 5725 1 14 . 1 1 3 3 LYS N N 3 123.220 123.220 125.895 -2.675 19860 5726 1 14 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.473 -0.148 19860 5727 1 14 . 1 1 3 3 LYS C C 3 176.224 176.224 175.675 0.549 19860 5728 1 14 . 1 1 3 3 LYS CA C 3 56.344 56.344 56.960 -0.616 19860 5729 1 14 . 1 1 3 3 LYS CB C 3 33.335 33.335 33.645 -0.310 19860 5730 1 14 . 1 1 3 3 LYS H H 3 8.520 8.520 8.642 -0.122 19860 5731 1 14 . 1 1 4 4 HIS N N 4 119.727 119.727 117.406 2.321 19860 5732 1 14 . 1 1 4 4 HIS HA H 4 4.721 4.721 4.646 0.075 19860 5733 1 14 . 1 1 4 4 HIS C C 4 175.318 175.318 173.979 1.339 19860 5734 1 14 . 1 1 4 4 HIS CA C 4 55.941 55.941 56.331 -0.390 19860 5735 1 14 . 1 1 4 4 HIS CB C 4 30.636 30.636 32.759 -2.123 19860 5736 1 14 . 1 1 4 4 HIS H H 4 8.486 8.486 8.047 0.439 19860 5737 1 14 . 1 1 5 5 GLY N N 5 110.318 110.318 105.683 4.635 19860 5738 1 14 . 1 1 5 5 GLY C C 5 172.966 172.966 172.461 0.505 19860 5739 1 14 . 1 1 5 5 GLY CA C 5 45.146 45.146 44.227 0.919 19860 5740 1 14 . 1 1 5 5 GLY H H 5 8.602 8.602 7.933 0.669 19860 5741 1 14 . 1 1 6 6 LYS N N 6 120.808 120.808 118.761 2.047 19860 5742 1 14 . 1 1 6 6 LYS HA H 6 4.438 4.438 5.351 -0.913 19860 5743 1 14 . 1 1 6 6 LYS C C 6 175.168 175.168 175.371 -0.203 19860 5744 1 14 . 1 1 6 6 LYS CA C 6 56.179 56.179 54.224 1.955 19860 5745 1 14 . 1 1 6 6 LYS CB C 6 34.277 34.277 37.210 -2.933 19860 5746 1 14 . 1 1 6 6 LYS H H 6 8.275 8.275 8.664 -0.389 19860 5747 1 14 . 1 1 7 7 TYR N N 7 118.666 118.666 120.393 -1.727 19860 5748 1 14 . 1 1 7 7 TYR HA H 7 5.513 5.513 5.340 0.173 19860 5749 1 14 . 1 1 7 7 TYR C C 7 176.004 176.004 175.537 0.467 19860 5750 1 14 . 1 1 7 7 TYR CA C 7 56.971 56.971 57.481 -0.510 19860 5751 1 14 . 1 1 7 7 TYR CB C 7 41.032 41.032 39.683 1.349 19860 5752 1 14 . 1 1 7 7 TYR H H 7 8.351 8.351 8.505 -0.154 19860 5753 1 14 . 1 1 8 8 VAL N N 8 115.920 115.920 118.941 -3.021 19860 5754 1 14 . 1 1 8 8 VAL HA H 8 4.860 4.860 4.937 -0.077 19860 5755 1 14 . 1 1 8 8 VAL C C 8 173.220 173.220 173.663 -0.443 19860 5756 1 14 . 1 1 8 8 VAL CA C 8 59.694 59.694 59.021 0.673 19860 5757 1 14 . 1 1 8 8 VAL CB C 8 35.246 35.246 35.159 0.087 19860 5758 1 14 . 1 1 8 8 VAL H H 8 9.057 9.057 9.017 0.040 19860 5759 1 14 . 1 1 9 9 TYR N N 9 118.786 118.786 117.852 0.934 19860 5760 1 14 . 1 1 9 9 TYR HA H 9 5.515 5.515 5.606 -0.091 19860 5761 1 14 . 1 1 9 9 TYR C C 9 175.072 175.072 176.083 -1.011 19860 5762 1 14 . 1 1 9 9 TYR CA C 9 56.576 56.576 55.984 0.592 19860 5763 1 14 . 1 1 9 9 TYR CB C 9 41.532 41.532 41.747 -0.215 19860 5764 1 14 . 1 1 9 9 TYR H H 9 9.117 9.117 8.758 0.359 19860 5765 1 14 . 1 1 10 10 ILE N N 10 121.376 121.376 123.135 -1.759 19860 5766 1 14 . 1 1 10 10 ILE HA H 10 4.887 4.887 4.601 0.286 19860 5767 1 14 . 1 1 10 10 ILE C C 10 176.044 176.044 176.287 -0.243 19860 5768 1 14 . 1 1 10 10 ILE CA C 10 58.948 58.948 58.669 0.279 19860 5769 1 14 . 1 1 10 10 ILE CB C 10 38.537 38.537 37.925 0.612 19860 5770 1 14 . 1 1 10 10 ILE H H 10 9.514 9.514 9.082 0.432 19860 5771 1 14 . 1 1 11 11 ASP N N 11 126.501 126.501 128.006 -1.505 19860 5772 1 14 . 1 1 11 11 ASP HA H 11 4.390 4.390 4.461 -0.071 19860 5773 1 14 . 1 1 11 11 ASP C C 11 175.850 175.850 176.536 -0.686 19860 5774 1 14 . 1 1 11 11 ASP CA C 11 53.377 53.377 53.975 -0.598 19860 5775 1 14 . 1 1 11 11 ASP CB C 11 41.808 41.808 40.328 1.480 19860 5776 1 14 . 1 1 11 11 ASP H H 11 8.676 8.676 8.861 -0.185 19860 5777 1 14 . 1 1 12 12 LEU N N 12 127.505 127.505 125.867 1.638 19860 5778 1 14 . 1 1 12 12 LEU HA H 12 4.319 4.319 4.138 0.181 19860 5779 1 14 . 1 1 12 12 LEU C C 12 176.132 176.132 177.873 -1.741 19860 5780 1 14 . 1 1 12 12 LEU CA C 12 55.439 55.439 56.082 -0.643 19860 5781 1 14 . 1 1 12 12 LEU CB C 12 40.312 40.312 42.257 -1.944 19860 5782 1 14 . 1 1 12 12 LEU H H 12 7.692 7.692 7.881 -0.189 19860 5783 1 14 . 1 1 13 13 ASN N N 13 114.351 114.351 114.093 0.258 19860 5784 1 14 . 1 1 13 13 ASN HA H 13 4.391 4.391 4.214 0.177 19860 5785 1 14 . 1 1 13 13 ASN C C 13 174.440 174.440 175.077 -0.637 19860 5786 1 14 . 1 1 13 13 ASN CA C 13 54.482 54.482 54.958 -0.476 19860 5787 1 14 . 1 1 13 13 ASN CB C 13 37.861 37.861 37.220 0.641 19860 5788 1 14 . 1 1 13 13 ASN H H 13 9.187 9.187 7.966 1.221 19860 5789 1 14 . 1 1 14 14 ASN N N 14 115.057 115.057 116.403 -1.346 19860 5790 1 14 . 1 1 14 14 ASN HA H 14 4.779 4.779 4.809 -0.030 19860 5791 1 14 . 1 1 14 14 ASN C C 14 176.213 176.213 175.239 0.974 19860 5792 1 14 . 1 1 14 14 ASN CA C 14 52.149 52.149 52.983 -0.834 19860 5793 1 14 . 1 1 14 14 ASN CB C 14 38.727 38.727 38.313 0.414 19860 5794 1 14 . 1 1 14 14 ASN H H 14 7.737 7.737 7.975 -0.238 19860 5795 1 14 . 1 1 15 15 GLY N N 15 110.453 110.453 106.167 4.286 19860 5796 1 14 . 1 1 15 15 GLY C C 15 172.968 172.968 173.217 -0.249 19860 5797 1 14 . 1 1 15 15 GLY CA C 15 45.136 45.136 45.058 0.078 19860 5798 1 14 . 1 1 15 15 GLY H H 15 8.744 8.744 8.259 0.485 19860 5799 1 14 . 1 1 16 16 LYS N N 16 116.557 116.557 116.458 0.099 19860 5800 1 14 . 1 1 16 16 LYS HA H 16 4.992 4.992 4.730 0.262 19860 5801 1 14 . 1 1 16 16 LYS C C 16 175.214 175.214 173.586 1.628 19860 5802 1 14 . 1 1 16 16 LYS CA C 16 54.653 54.653 55.176 -0.523 19860 5803 1 14 . 1 1 16 16 LYS CB C 16 35.359 35.359 35.397 -0.038 19860 5804 1 14 . 1 1 16 16 LYS H H 16 7.559 7.559 7.412 0.147 19860 5805 1 14 . 1 1 17 17 TYR N N 17 117.020 117.020 117.755 -0.735 19860 5806 1 14 . 1 1 17 17 TYR HA H 17 5.551 5.551 5.057 0.494 19860 5807 1 14 . 1 1 17 17 TYR C C 17 175.491 175.491 174.624 0.867 19860 5808 1 14 . 1 1 17 17 TYR CA C 17 56.255 56.255 57.183 -0.928 19860 5809 1 14 . 1 1 17 17 TYR CB C 17 42.270 42.270 43.032 -0.762 19860 5810 1 14 . 1 1 17 17 TYR H H 17 8.577 8.577 8.608 -0.031 19860 5811 1 14 . 1 1 18 18 VAL N N 18 121.032 121.032 122.403 -1.371 19860 5812 1 14 . 1 1 18 18 VAL HA H 18 5.027 5.027 4.673 0.354 19860 5813 1 14 . 1 1 18 18 VAL C C 18 174.046 174.046 174.170 -0.124 19860 5814 1 14 . 1 1 18 18 VAL CA C 18 59.711 59.711 60.290 -0.579 19860 5815 1 14 . 1 1 18 18 VAL CB C 18 35.076 35.076 33.868 1.208 19860 5816 1 14 . 1 1 18 18 VAL H H 18 8.829 8.829 8.517 0.312 19860 5817 1 14 . 1 1 19 19 LYS N N 19 130.251 130.251 130.184 0.067 19860 5818 1 14 . 1 1 19 19 LYS HA H 19 4.055 4.055 4.950 -0.895 19860 5819 1 14 . 1 1 19 19 LYS C C 19 175.628 175.628 175.269 0.359 19860 5820 1 14 . 1 1 19 19 LYS CA C 19 56.975 56.975 55.199 1.776 19860 5821 1 14 . 1 1 19 19 LYS CB C 19 33.380 33.380 33.384 -0.004 19860 5822 1 14 . 1 1 19 19 LYS H H 19 8.388 8.388 8.298 0.090 19860 5823 1 14 . 1 1 20 20 VAL N N 20 127.530 127.530 124.797 2.733 19860 5824 1 14 . 1 1 20 20 VAL HA H 20 4.946 4.946 4.469 0.477 19860 5825 1 14 . 1 1 20 20 VAL C C 20 173.581 173.581 173.859 -0.278 19860 5826 1 14 . 1 1 20 20 VAL CA C 20 60.483 60.483 59.249 1.234 19860 5827 1 14 . 1 1 20 20 VAL CB C 20 35.665 35.665 35.792 -0.127 19860 5828 1 14 . 1 1 20 20 VAL H H 20 9.428 9.428 8.995 0.433 19860 5829 1 14 . 1 1 21 21 ARG N N 21 125.804 125.804 128.289 -2.485 19860 5830 1 14 . 1 1 21 21 ARG HA H 21 4.716 4.716 4.619 0.097 19860 5831 1 14 . 1 1 21 21 ARG C C 21 174.905 174.905 175.149 -0.244 19860 5832 1 14 . 1 1 21 21 ARG CA C 21 54.864 54.864 55.170 -0.306 19860 5833 1 14 . 1 1 21 21 ARG CB C 21 32.881 32.881 30.494 2.387 19860 5834 1 14 . 1 1 21 21 ARG H H 21 9.084 9.084 8.649 0.435 19860 5835 1 14 . 1 1 22 22 ILE N N 22 124.167 124.167 127.107 -2.940 19860 5836 1 14 . 1 1 22 22 ILE HA H 22 4.624 4.624 4.417 0.207 19860 5837 1 14 . 1 1 22 22 ILE C C 22 175.887 175.887 174.841 1.046 19860 5838 1 14 . 1 1 22 22 ILE CA C 22 59.717 59.717 58.684 1.034 19860 5839 1 14 . 1 1 22 22 ILE CB C 22 38.699 38.699 37.190 1.509 19860 5840 1 14 . 1 1 22 22 ILE H H 22 8.554 8.554 8.961 -0.407 19860 5841 1 14 . 1 1 23 23 LEU N N 23 128.981 128.981 129.903 -0.922 19860 5842 1 14 . 1 1 23 23 LEU HA H 23 4.663 4.663 4.282 0.381 19860 5843 1 14 . 1 1 23 23 LEU C C 23 176.174 176.174 175.119 1.055 19860 5844 1 14 . 1 1 23 23 LEU CA C 23 53.897 53.897 54.115 -0.218 19860 5845 1 14 . 1 1 23 23 LEU CB C 23 43.556 43.556 41.329 2.227 19860 5846 1 14 . 1 1 23 23 LEU H H 23 8.835 8.835 9.223 -0.388 19860 5847 1 14 . 1 1 24 24 LYS N N 24 122.797 122.797 126.678 -3.881 19860 5848 1 14 . 1 1 24 24 LYS HA H 24 4.568 4.568 4.446 0.122 19860 5849 1 14 . 1 1 24 24 LYS C C 24 176.407 176.407 175.986 0.421 19860 5850 1 14 . 1 1 24 24 LYS CA C 24 55.808 55.808 55.195 0.613 19860 5851 1 14 . 1 1 24 24 LYS CB C 24 34.082 34.082 33.169 0.913 19860 5852 1 14 . 1 1 24 24 LYS H H 24 8.566 8.566 8.042 0.524 19860 5853 1 14 . 1 1 25 25 SER N N 25 118.453 118.453 124.819 -6.366 19860 5854 1 14 . 1 1 25 25 SER HA H 25 4.477 4.477 4.563 -0.086 19860 5855 1 14 . 1 1 25 25 SER C C 25 175.038 175.038 174.570 0.468 19860 5856 1 14 . 1 1 25 25 SER CA C 25 58.146 58.146 58.416 -0.270 19860 5857 1 14 . 1 1 25 25 SER CB C 25 63.977 63.977 62.196 1.781 19860 5858 1 14 . 1 1 25 25 SER H H 25 8.668 8.668 8.977 -0.309 19860 5859 1 14 . 1 1 26 26 ARG N N 26 123.008 123.008 125.110 -2.102 19860 5860 1 14 . 1 1 26 26 ARG HA H 26 4.284 4.284 4.414 -0.130 19860 5861 1 14 . 1 1 26 26 ARG C C 26 176.640 176.640 177.616 -0.976 19860 5862 1 14 . 1 1 26 26 ARG CA C 26 57.171 57.171 58.568 -1.397 19860 5863 1 14 . 1 1 26 26 ARG CB C 26 30.748 30.748 30.395 0.353 19860 5864 1 14 . 1 1 26 26 ARG H H 26 8.667 8.667 7.830 0.837 19860 5865 1 14 . 1 1 27 27 ASP N N 27 118.281 118.281 119.057 -0.776 19860 5866 1 14 . 1 1 27 27 ASP HA H 27 4.598 4.598 4.363 0.235 19860 5867 1 14 . 1 1 27 27 ASP C C 27 176.028 176.028 176.706 -0.678 19860 5868 1 14 . 1 1 27 27 ASP CA C 27 54.657 54.657 57.208 -2.551 19860 5869 1 14 . 1 1 27 27 ASP CB C 27 41.416 41.416 39.948 1.468 19860 5870 1 14 . 1 1 27 27 ASP H H 27 8.246 8.246 8.312 -0.066 19860 5871 1 14 . 1 1 28 28 ASP N N 28 118.646 118.646 116.250 2.396 19860 5872 1 14 . 1 1 28 28 ASP HA H 28 4.563 4.563 4.502 0.061 19860 5873 1 14 . 1 1 28 28 ASP C C 28 176.165 176.165 176.464 -0.299 19860 5874 1 14 . 1 1 28 28 ASP CA C 28 54.822 54.822 54.904 -0.082 19860 5875 1 14 . 1 1 28 28 ASP CB C 28 41.150 41.150 42.005 -0.855 19860 5876 1 14 . 1 1 28 28 ASP H H 28 8.034 8.034 7.790 0.244 19860 5877 1 14 . 1 1 29 29 ASN N N 29 117.519 117.519 116.542 0.977 19860 5878 1 14 . 1 1 29 29 ASN HA H 29 4.734 4.734 4.661 0.073 19860 5879 1 14 . 1 1 29 29 ASN C C 29 175.116 175.116 173.420 1.696 19860 5880 1 14 . 1 1 29 29 ASN CA C 29 53.951 53.951 54.027 -0.076 19860 5881 1 14 . 1 1 29 29 ASN CB C 29 38.779 38.779 39.607 -0.828 19860 5882 1 14 . 1 1 29 29 ASN H H 29 8.473 8.473 8.270 0.203 19860 5883 1 14 . 1 1 30 30 SER N N 30 114.910 114.910 116.428 -1.518 19860 5884 1 14 . 1 1 30 30 SER HA H 30 4.493 4.493 4.650 -0.157 19860 5885 1 14 . 1 1 30 30 SER C C 30 174.235 174.235 172.784 1.451 19860 5886 1 14 . 1 1 30 30 SER CA C 30 58.669 58.669 58.708 -0.039 19860 5887 1 14 . 1 1 30 30 SER CB C 30 64.403 64.403 63.325 1.078 19860 5888 1 14 . 1 1 30 30 SER H H 30 8.206 8.206 8.152 0.054 19860 5889 1 14 . 1 1 31 31 VAL N N 31 121.640 121.640 125.791 -4.151 19860 5890 1 14 . 1 1 31 31 VAL HA H 31 4.090 4.090 4.185 -0.095 19860 5891 1 14 . 1 1 31 31 VAL C C 31 175.873 175.873 174.705 1.168 19860 5892 1 14 . 1 1 31 31 VAL CA C 31 62.939 62.939 61.384 1.555 19860 5893 1 14 . 1 1 31 31 VAL CB C 31 32.878 32.878 33.444 -0.566 19860 5894 1 14 . 1 1 31 31 VAL H H 31 8.242 8.242 7.890 0.352 19860 5895 1 14 . 1 1 32 32 GLU N N 32 125.144 125.144 128.604 -3.460 19860 5896 1 14 . 1 1 32 32 GLU HA H 32 4.417 4.417 4.730 -0.313 19860 5897 1 14 . 1 1 32 32 GLU C C 32 175.532 175.532 175.391 0.141 19860 5898 1 14 . 1 1 32 32 GLU CA C 32 56.886 56.886 55.637 1.249 19860 5899 1 14 . 1 1 32 32 GLU CB C 32 31.059 31.059 29.834 1.226 19860 5900 1 14 . 1 1 32 32 GLU H H 32 8.679 8.679 8.729 -0.050 19860 5901 1 14 . 1 1 33 33 LYS N N 33 120.222 120.222 126.282 -6.060 19860 5902 1 14 . 1 1 33 33 LYS HA H 33 4.574 4.574 4.360 0.214 19860 5903 1 14 . 1 1 33 33 LYS C C 33 174.194 174.194 175.127 -0.933 19860 5904 1 14 . 1 1 33 33 LYS CA C 33 55.324 55.324 55.145 0.179 19860 5905 1 14 . 1 1 33 33 LYS CB C 33 35.258 35.258 33.749 1.509 19860 5906 1 14 . 1 1 33 33 LYS H H 33 8.229 8.229 8.733 -0.504 19860 5907 1 14 . 1 1 34 34 TYR N N 34 121.014 121.014 122.540 -1.526 19860 5908 1 14 . 1 1 34 34 TYR HA H 34 4.910 4.910 4.650 0.260 19860 5909 1 14 . 1 1 34 34 TYR C C 34 175.667 175.667 176.779 -1.112 19860 5910 1 14 . 1 1 34 34 TYR CA C 34 56.984 56.984 58.216 -1.232 19860 5911 1 14 . 1 1 34 34 TYR CB C 34 40.036 40.036 39.186 0.850 19860 5912 1 14 . 1 1 34 34 TYR H H 34 8.552 8.552 8.452 0.100 19860 5913 1 14 . 1 1 35 35 VAL N N 35 124.624 124.624 122.607 2.017 19860 5914 1 14 . 1 1 35 35 VAL HA H 35 4.301 4.301 3.951 0.350 19860 5915 1 14 . 1 1 35 35 VAL C C 35 175.490 175.490 176.553 -1.063 19860 5916 1 14 . 1 1 35 35 VAL CA C 35 61.869 61.869 62.962 -1.093 19860 5917 1 14 . 1 1 35 35 VAL CB C 35 33.510 33.510 33.386 0.124 19860 5918 1 14 . 1 1 35 35 VAL H H 35 9.337 9.337 8.283 1.054 19860 5919 1 14 . 1 1 36 36 LEU N N 36 127.814 127.814 124.317 3.497 19860 5920 1 14 . 1 1 36 36 LEU HA H 36 4.326 4.326 4.437 -0.111 19860 5921 1 14 . 1 1 36 36 LEU C C 36 177.355 177.355 176.473 0.882 19860 5922 1 14 . 1 1 36 36 LEU CA C 36 56.612 56.612 55.478 1.134 19860 5923 1 14 . 1 1 36 36 LEU CB C 36 41.899 41.899 41.999 -0.100 19860 5924 1 14 . 1 1 36 36 LEU H H 36 8.845 8.845 8.369 0.476 19860 5925 1 14 . 1 1 37 37 THR N N 37 112.016 112.016 113.423 -1.407 19860 5926 1 14 . 1 1 37 37 THR HA H 37 4.904 4.904 4.392 0.512 19860 5927 1 14 . 1 1 37 37 THR C C 37 173.228 173.228 174.501 -1.273 19860 5928 1 14 . 1 1 37 37 THR CA C 37 61.023 61.023 61.832 -0.809 19860 5929 1 14 . 1 1 37 37 THR CB C 37 70.829 70.829 69.776 1.053 19860 5930 1 14 . 1 1 37 37 THR H H 37 7.374 7.374 7.592 -0.218 19860 5931 1 14 . 1 1 38 38 SER N N 38 111.049 111.049 118.982 -7.933 19860 5932 1 14 . 1 1 38 38 SER HA H 38 4.635 4.635 4.732 -0.097 19860 5933 1 14 . 1 1 38 38 SER C C 38 174.606 174.606 173.246 1.360 19860 5934 1 14 . 1 1 38 38 SER CA C 38 57.957 57.957 57.306 0.651 19860 5935 1 14 . 1 1 38 38 SER CB C 38 63.849 63.849 63.386 0.463 19860 5936 1 14 . 1 1 38 38 SER H H 38 8.387 8.387 8.337 0.050 19860 5937 1 14 . 1 1 39 39 HIS N N 39 122.230 122.230 122.869 -0.639 19860 5938 1 14 . 1 1 39 39 HIS HA H 39 4.768 4.768 4.378 0.390 19860 5939 1 14 . 1 1 39 39 HIS C C 39 173.143 173.143 174.588 -1.445 19860 5940 1 14 . 1 1 39 39 HIS CA C 39 56.328 56.328 57.031 -0.703 19860 5941 1 14 . 1 1 39 39 HIS CB C 39 29.938 29.938 29.505 0.433 19860 5942 1 14 . 1 1 39 39 HIS H H 39 8.424 8.424 8.022 0.402 19860 5943 1 14 . 1 1 40 40 VAL N N 40 126.582 126.582 121.429 5.153 19860 5944 1 14 . 1 1 40 40 VAL HA H 40 4.915 4.915 4.161 0.754 19860 5945 1 14 . 1 1 40 40 VAL C C 40 175.763 175.763 175.337 0.426 19860 5946 1 14 . 1 1 40 40 VAL CA C 40 60.612 60.612 61.556 -0.945 19860 5947 1 14 . 1 1 40 40 VAL CB C 40 34.085 34.085 31.930 2.155 19860 5948 1 14 . 1 1 40 40 VAL H H 40 8.364 8.364 8.218 0.146 19860 5949 1 14 . 1 1 41 41 SER N N 41 121.067 121.067 121.824 -0.757 19860 5950 1 14 . 1 1 41 41 SER HA H 41 4.947 4.947 5.041 -0.094 19860 5951 1 14 . 1 1 41 41 SER C C 41 174.505 174.505 174.573 -0.068 19860 5952 1 14 . 1 1 41 41 SER CA C 41 57.001 57.001 56.580 0.422 19860 5953 1 14 . 1 1 41 41 SER CB C 41 65.504 65.504 64.812 0.692 19860 5954 1 14 . 1 1 41 41 SER H H 41 9.297 9.297 9.093 0.204 19860 5955 1 14 . 1 1 42 42 LYS N N 42 123.812 123.812 120.118 3.694 19860 5956 1 14 . 1 1 42 42 LYS HA H 42 4.905 4.905 4.506 0.399 19860 5957 1 14 . 1 1 42 42 LYS C C 42 175.037 175.037 175.803 -0.766 19860 5958 1 14 . 1 1 42 42 LYS CA C 42 56.600 56.600 55.930 0.670 19860 5959 1 14 . 1 1 42 42 LYS CB C 42 32.827 32.827 32.770 0.057 19860 5960 1 14 . 1 1 42 42 LYS H H 42 8.962 8.962 8.573 0.389 19860 5961 1 14 . 1 1 43 43 ASN N N 43 115.779 115.779 120.690 -4.911 19860 5962 1 14 . 1 1 43 43 ASN HA H 43 4.906 4.906 4.735 0.171 19860 5963 1 14 . 1 1 43 43 ASN C C 43 173.479 173.479 174.361 -0.882 19860 5964 1 14 . 1 1 43 43 ASN CA C 43 51.840 51.840 53.129 -1.289 19860 5965 1 14 . 1 1 43 43 ASN CB C 43 40.763 40.763 39.762 1.001 19860 5966 1 14 . 1 1 43 43 ASN H H 43 8.053 8.053 7.569 0.484 19860 5967 1 14 . 1 1 44 44 ARG N N 44 124.471 124.471 120.931 3.540 19860 5968 1 14 . 1 1 44 44 ARG HA H 44 3.217 3.217 4.059 -0.842 19860 5969 1 14 . 1 1 44 44 ARG C C 44 173.869 173.869 173.664 0.205 19860 5970 1 14 . 1 1 44 44 ARG CA C 44 54.034 54.034 53.470 0.564 19860 5971 1 14 . 1 1 44 44 ARG CB C 44 29.917 29.917 30.630 -0.713 19860 5972 1 14 . 1 1 44 44 ARG H H 44 8.565 8.565 8.336 0.229 19860 5973 1 14 . 1 1 45 45 PRO HA H 45 4.123 4.123 4.438 -0.315 19860 5974 1 14 . 1 1 45 45 PRO C C 45 176.434 176.434 175.947 0.487 19860 5975 1 14 . 1 1 45 45 PRO CA C 45 62.292 62.292 61.899 0.393 19860 5976 1 14 . 1 1 45 45 PRO CB C 45 32.110 32.110 32.426 -0.316 19860 5977 1 14 . 1 1 46 46 LYS N N 46 122.529 122.529 119.506 3.023 19860 5978 1 14 . 1 1 46 46 LYS HA H 46 4.110 4.110 4.204 -0.094 19860 5979 1 14 . 1 1 46 46 LYS C C 46 176.931 176.931 177.103 -0.172 19860 5980 1 14 . 1 1 46 46 LYS CA C 46 57.000 57.000 57.413 -0.413 19860 5981 1 14 . 1 1 46 46 LYS CB C 46 33.095 33.095 32.992 0.103 19860 5982 1 14 . 1 1 46 46 LYS H H 46 8.470 8.470 8.232 0.238 19860 5983 1 14 . 1 1 47 47 ASN N N 47 117.122 117.122 119.981 -2.859 19860 5984 1 14 . 1 1 47 47 ASN HA H 47 4.589 4.589 4.694 -0.105 19860 5985 1 14 . 1 1 47 47 ASN C C 47 174.011 174.011 173.481 0.530 19860 5986 1 14 . 1 1 47 47 ASN CA C 47 53.493 53.493 52.732 0.761 19860 5987 1 14 . 1 1 47 47 ASN CB C 47 37.868 37.868 37.383 0.485 19860 5988 1 14 . 1 1 47 47 ASN H H 47 8.745 8.745 8.283 0.462 19860 5989 1 14 . 1 1 48 48 ALA N N 48 119.908 119.908 123.435 -3.527 19860 5990 1 14 . 1 1 48 48 ALA HA H 48 4.609 4.609 4.508 0.101 19860 5991 1 14 . 1 1 48 48 ALA C C 48 176.506 176.506 175.493 1.013 19860 5992 1 14 . 1 1 48 48 ALA CA C 48 51.136 51.136 51.602 -0.466 19860 5993 1 14 . 1 1 48 48 ALA CB C 48 22.389 22.389 21.448 0.942 19860 5994 1 14 . 1 1 48 48 ALA H H 48 7.394 7.394 7.931 -0.537 19860 5995 1 14 . 1 1 49 49 ILE N N 49 123.192 123.192 122.417 0.775 19860 5996 1 14 . 1 1 49 49 ILE HA H 49 4.140 4.140 4.400 -0.260 19860 5997 1 14 . 1 1 49 49 ILE C C 49 174.731 174.731 175.348 -0.617 19860 5998 1 14 . 1 1 49 49 ILE CA C 49 61.597 61.597 60.345 1.252 19860 5999 1 14 . 1 1 49 49 ILE CB C 49 38.166 38.166 37.103 1.063 19860 6000 1 14 . 1 1 49 49 ILE H H 49 8.878 8.878 8.780 0.098 19860 6001 1 14 . 1 1 50 50 VAL N N 50 127.552 127.552 125.153 2.399 19860 6002 1 14 . 1 1 50 50 VAL HA H 50 5.289 5.289 5.627 -0.338 19860 6003 1 14 . 1 1 50 50 VAL C C 50 176.411 176.411 175.565 0.846 19860 6004 1 14 . 1 1 50 50 VAL CA C 50 60.499 60.499 59.690 0.809 19860 6005 1 14 . 1 1 50 50 VAL CB C 50 33.890 33.890 32.416 1.474 19860 6006 1 14 . 1 1 50 50 VAL H H 50 8.371 8.371 8.350 0.021 19860 6007 1 14 . 1 1 51 51 ILE N N 51 126.906 126.906 128.445 -1.539 19860 6008 1 14 . 1 1 51 51 ILE HA H 51 4.691 4.691 4.410 0.281 19860 6009 1 14 . 1 1 51 51 ILE C C 51 175.322 175.322 175.199 0.123 19860 6010 1 14 . 1 1 51 51 ILE CA C 51 59.439 59.439 60.296 -0.857 19860 6011 1 14 . 1 1 51 51 ILE CB C 51 41.189 41.189 39.766 1.423 19860 6012 1 14 . 1 1 51 51 ILE H H 51 9.314 9.314 9.042 0.272 19860 6013 1 14 . 1 1 52 52 LYS N N 52 123.523 123.523 128.133 -4.610 19860 6014 1 14 . 1 1 52 52 LYS HA H 52 4.686 4.686 4.357 0.329 19860 6015 1 14 . 1 1 52 52 LYS C C 52 178.237 178.237 177.875 0.362 19860 6016 1 14 . 1 1 52 52 LYS CA C 52 56.120 56.120 56.725 -0.605 19860 6017 1 14 . 1 1 52 52 LYS CB C 52 33.392 33.392 33.337 0.055 19860 6018 1 14 . 1 1 52 52 LYS H H 52 8.737 8.737 8.878 -0.141 19860 6019 1 14 . 1 1 53 53 MET N N 53 119.701 119.701 124.576 -4.875 19860 6020 1 14 . 1 1 53 53 MET HA H 53 3.908 3.908 4.039 -0.131 19860 6021 1 14 . 1 1 53 53 MET C C 53 177.401 177.401 178.155 -0.754 19860 6022 1 14 . 1 1 53 53 MET CA C 53 58.725 58.725 60.061 -1.336 19860 6023 1 14 . 1 1 53 53 MET CB C 53 33.383 33.383 32.245 1.138 19860 6024 1 14 . 1 1 53 53 MET H H 53 8.799 8.799 8.612 0.187 19860 6025 1 14 . 1 1 54 54 ASP N N 54 113.357 113.357 117.581 -4.224 19860 6026 1 14 . 1 1 54 54 ASP HA H 54 4.288 4.288 4.296 -0.008 19860 6027 1 14 . 1 1 54 54 ASP C C 54 176.649 176.649 176.959 -0.310 19860 6028 1 14 . 1 1 54 54 ASP CA C 54 56.682 56.682 56.440 0.242 19860 6029 1 14 . 1 1 54 54 ASP CB C 54 40.670 40.670 40.696 -0.026 19860 6030 1 14 . 1 1 54 54 ASP H H 54 8.262 8.262 8.525 -0.263 19860 6031 1 14 . 1 1 55 55 ASN N N 55 114.935 114.935 116.166 -1.231 19860 6032 1 14 . 1 1 55 55 ASN HA H 55 5.001 5.001 4.679 0.322 19860 6033 1 14 . 1 1 55 55 ASN C C 55 175.032 175.032 175.663 -0.631 19860 6034 1 14 . 1 1 55 55 ASN CA C 55 52.897 52.897 53.711 -0.814 19860 6035 1 14 . 1 1 55 55 ASN CB C 55 39.184 39.184 39.345 -0.161 19860 6036 1 14 . 1 1 55 55 ASN H H 55 7.971 7.971 7.910 0.061 19860 6037 1 14 . 1 1 56 56 LEU N N 56 120.385 120.385 122.156 -1.771 19860 6038 1 14 . 1 1 56 56 LEU HA H 56 4.488 4.488 4.551 -0.062 19860 6039 1 14 . 1 1 56 56 LEU C C 56 174.131 174.131 174.885 -0.754 19860 6040 1 14 . 1 1 56 56 LEU CA C 56 52.912 52.912 51.910 1.002 19860 6041 1 14 . 1 1 56 56 LEU CB C 56 41.958 41.958 41.002 0.956 19860 6042 1 14 . 1 1 56 56 LEU H H 56 7.331 7.331 7.548 -0.217 19860 6043 1 14 . 1 1 57 57 PRO HA H 57 4.617 4.617 4.484 0.133 19860 6044 1 14 . 1 1 57 57 PRO C C 57 178.627 178.627 177.705 0.922 19860 6045 1 14 . 1 1 57 57 PRO CA C 57 62.751 62.751 62.728 0.023 19860 6046 1 14 . 1 1 57 57 PRO CB C 57 32.718 32.718 32.352 0.366 19860 6047 1 14 . 1 1 58 58 ILE N N 58 125.295 125.295 120.249 5.046 19860 6048 1 14 . 1 1 58 58 ILE HA H 58 3.783 3.783 3.764 0.019 19860 6049 1 14 . 1 1 58 58 ILE C C 58 176.776 176.776 177.605 -0.829 19860 6050 1 14 . 1 1 58 58 ILE CA C 58 64.583 64.583 63.885 0.698 19860 6051 1 14 . 1 1 58 58 ILE CB C 58 37.959 37.959 37.486 0.473 19860 6052 1 14 . 1 1 58 58 ILE H H 58 8.882 8.882 8.402 0.480 19860 6053 1 14 . 1 1 59 59 GLU N N 59 118.869 118.869 120.070 -1.201 19860 6054 1 14 . 1 1 59 59 GLU HA H 59 4.254 4.254 4.025 0.229 19860 6055 1 14 . 1 1 59 59 GLU C C 59 179.370 179.370 178.808 0.562 19860 6056 1 14 . 1 1 59 59 GLU CA C 59 59.757 59.757 59.468 0.289 19860 6057 1 14 . 1 1 59 59 GLU CB C 59 29.053 29.053 29.025 0.028 19860 6058 1 14 . 1 1 59 59 GLU H H 59 9.348 9.348 8.600 0.748 19860 6059 1 14 . 1 1 60 60 VAL N N 60 118.990 118.990 119.532 -0.542 19860 6060 1 14 . 1 1 60 60 VAL HA H 60 3.772 3.772 3.646 0.126 19860 6061 1 14 . 1 1 60 60 VAL C C 60 177.451 177.451 177.570 -0.119 19860 6062 1 14 . 1 1 60 60 VAL CA C 60 65.331 65.331 66.431 -1.100 19860 6063 1 14 . 1 1 60 60 VAL CB C 60 31.869 31.869 31.548 0.321 19860 6064 1 14 . 1 1 60 60 VAL H H 60 7.290 7.290 7.664 -0.374 19860 6065 1 14 . 1 1 61 61 LYS N N 61 120.824 120.824 119.968 0.856 19860 6066 1 14 . 1 1 61 61 LYS HA H 61 3.782 3.782 3.867 -0.085 19860 6067 1 14 . 1 1 61 61 LYS C C 61 179.444 179.444 178.723 0.721 19860 6068 1 14 . 1 1 61 61 LYS CA C 61 61.060 61.060 59.922 1.138 19860 6069 1 14 . 1 1 61 61 LYS CB C 61 32.196 32.196 31.803 0.393 19860 6070 1 14 . 1 1 61 61 LYS H H 61 8.043 8.043 7.678 0.365 19860 6071 1 14 . 1 1 62 62 ASP N N 62 119.231 119.231 120.363 -1.132 19860 6072 1 14 . 1 1 62 62 ASP HA H 62 4.427 4.427 4.315 0.112 19860 6073 1 14 . 1 1 62 62 ASP C C 62 178.420 178.420 178.025 0.395 19860 6074 1 14 . 1 1 62 62 ASP CA C 62 57.851 57.851 57.672 0.179 19860 6075 1 14 . 1 1 62 62 ASP CB C 62 40.780 40.780 40.769 0.011 19860 6076 1 14 . 1 1 62 62 ASP H H 62 8.766 8.766 8.297 0.469 19860 6077 1 14 . 1 1 63 63 LYS N N 63 119.623 119.623 119.454 0.169 19860 6078 1 14 . 1 1 63 63 LYS HA H 63 4.025 4.025 4.028 -0.003 19860 6079 1 14 . 1 1 63 63 LYS C C 63 178.866 178.866 179.351 -0.485 19860 6080 1 14 . 1 1 63 63 LYS CA C 63 59.667 59.667 59.374 0.293 19860 6081 1 14 . 1 1 63 63 LYS CB C 63 32.929 32.929 32.507 0.422 19860 6082 1 14 . 1 1 63 63 LYS H H 63 7.391 7.391 7.483 -0.092 19860 6083 1 14 . 1 1 64 64 LEU N N 64 118.806 118.806 119.422 -0.616 19860 6084 1 14 . 1 1 64 64 LEU HA H 64 4.216 4.216 4.004 0.212 19860 6085 1 14 . 1 1 64 64 LEU C C 64 178.793 178.793 178.643 0.150 19860 6086 1 14 . 1 1 64 64 LEU CA C 64 58.011 58.011 58.013 -0.002 19860 6087 1 14 . 1 1 64 64 LEU CB C 64 42.251 42.251 41.279 0.972 19860 6088 1 14 . 1 1 64 64 LEU H H 64 8.357 8.357 8.400 -0.043 19860 6089 1 14 . 1 1 65 65 THR N N 65 115.102 115.102 114.951 0.151 19860 6090 1 14 . 1 1 65 65 THR HA H 65 3.920 3.920 3.725 0.195 19860 6091 1 14 . 1 1 65 65 THR C C 65 176.410 176.410 176.217 0.193 19860 6092 1 14 . 1 1 65 65 THR CA C 65 66.705 66.705 66.787 -0.082 19860 6093 1 14 . 1 1 65 65 THR CB C 65 68.876 68.876 68.449 0.427 19860 6094 1 14 . 1 1 65 65 THR H H 65 8.343 8.343 8.194 0.149 19860 6095 1 14 . 1 1 66 66 ARG N N 66 119.405 119.405 119.754 -0.349 19860 6096 1 14 . 1 1 66 66 ARG HA H 66 4.067 4.067 4.018 0.049 19860 6097 1 14 . 1 1 66 66 ARG C C 66 177.988 177.988 177.896 0.092 19860 6098 1 14 . 1 1 66 66 ARG CA C 66 58.961 58.961 58.978 -0.017 19860 6099 1 14 . 1 1 66 66 ARG CB C 66 30.302 30.302 30.279 0.023 19860 6100 1 14 . 1 1 66 66 ARG H H 66 7.832 7.832 8.002 -0.170 19860 6101 1 14 . 1 1 67 67 PHE N N 67 117.304 117.304 119.401 -2.097 19860 6102 1 14 . 1 1 67 67 PHE HA H 67 4.323 4.323 4.431 -0.108 19860 6103 1 14 . 1 1 67 67 PHE C C 67 177.141 177.141 176.147 0.994 19860 6104 1 14 . 1 1 67 67 PHE CA C 67 59.989 59.989 60.242 -0.253 19860 6105 1 14 . 1 1 67 67 PHE CB C 67 39.269 39.269 40.236 -0.967 19860 6106 1 14 . 1 1 67 67 PHE H H 67 8.190 8.190 8.079 0.111 19860 6107 1 14 . 1 1 68 68 PHE N N 68 114.297 114.297 112.962 1.335 19860 6108 1 14 . 1 1 68 68 PHE HA H 68 4.696 4.696 4.559 0.137 19860 6109 1 14 . 1 1 68 68 PHE C C 68 175.969 175.969 175.783 0.186 19860 6110 1 14 . 1 1 68 68 PHE CA C 68 59.112 59.112 57.649 1.463 19860 6111 1 14 . 1 1 68 68 PHE CB C 68 40.100 40.100 39.442 0.658 19860 6112 1 14 . 1 1 68 68 PHE H H 68 8.087 8.087 7.886 0.201 19860 6113 1 14 . 1 1 69 69 LEU N N 69 119.594 119.594 122.065 -2.471 19860 6114 1 14 . 1 1 69 69 LEU HA H 69 4.476 4.476 4.473 0.003 19860 6115 1 14 . 1 1 69 69 LEU C C 69 177.425 177.425 177.252 0.173 19860 6116 1 14 . 1 1 69 69 LEU CA C 69 55.805 55.805 55.036 0.769 19860 6117 1 14 . 1 1 69 69 LEU CB C 69 41.399 41.399 41.802 -0.403 19860 6118 1 14 . 1 1 69 69 LEU H H 69 7.823 7.823 7.384 0.439 19860 6119 1 14 . 1 1 70 70 LEU N N 70 119.723 119.723 116.866 2.857 19860 6120 1 14 . 1 1 70 70 LEU HA H 70 4.341 4.341 4.393 -0.052 19860 6121 1 14 . 1 1 70 70 LEU C C 70 177.443 177.443 177.315 0.128 19860 6122 1 14 . 1 1 70 70 LEU CA C 70 55.288 55.288 55.520 -0.232 19860 6123 1 14 . 1 1 70 70 LEU CB C 70 42.205 42.205 41.222 0.983 19860 6124 1 14 . 1 1 70 70 LEU H H 70 7.905 7.905 7.434 0.471 19860 6125 1 14 . 1 1 71 71 GLU N N 71 120.533 120.533 118.991 1.542 19860 6126 1 14 . 1 1 71 71 GLU HA H 71 4.200 4.200 4.175 0.025 19860 6127 1 14 . 1 1 71 71 GLU C C 71 176.250 176.250 175.869 0.381 19860 6128 1 14 . 1 1 71 71 GLU CA C 71 56.609 56.609 55.051 1.558 19860 6129 1 14 . 1 1 71 71 GLU CB C 71 30.475 30.475 30.029 0.446 19860 6130 1 14 . 1 1 71 71 GLU H H 71 8.244 8.244 7.453 0.791 19860 6131 1 14 . 1 1 72 72 HIS N N 72 119.783 119.783 118.137 1.646 19860 6132 1 14 . 1 1 72 72 HIS HA H 72 4.623 4.623 4.369 0.254 19860 6133 1 14 . 1 1 72 72 HIS C C 72 174.645 174.645 175.632 -0.987 19860 6134 1 14 . 1 1 72 72 HIS CA C 72 55.737 55.737 54.931 0.806 19860 6135 1 14 . 1 1 72 72 HIS CB C 72 29.901 29.901 29.075 0.826 19860 6136 1 14 . 1 1 72 72 HIS H H 72 8.403 8.403 8.103 0.300 19860 6137 1 14 . 1 1 73 73 HIS N N 73 120.199 120.199 124.293 -4.094 19860 6138 1 14 . 1 1 73 73 HIS HA H 73 4.625 4.625 4.278 0.347 19860 6139 1 14 . 1 1 73 73 HIS C C 73 174.552 174.552 175.402 -0.850 19860 6140 1 14 . 1 1 73 73 HIS CA C 73 55.754 55.754 58.195 -2.441 19860 6141 1 14 . 1 1 73 73 HIS CB C 73 29.976 29.976 30.316 -0.340 19860 6142 1 14 . 1 1 73 73 HIS H H 73 8.539 8.539 8.740 -0.201 19860 6143 1 14 . 1 1 74 74 HIS N N 74 120.457 120.457 116.554 3.903 19860 6144 1 14 . 1 1 74 74 HIS HA H 74 4.655 4.655 4.522 0.133 19860 6145 1 14 . 1 1 74 74 HIS C C 74 174.638 174.638 175.031 -0.393 19860 6146 1 14 . 1 1 74 74 HIS CA C 74 55.771 55.771 53.642 2.129 19860 6147 1 14 . 1 1 74 74 HIS CB C 74 29.916 29.916 28.599 1.317 19860 6148 1 14 . 1 1 74 74 HIS H H 74 8.681 8.681 8.161 0.520 19860 6149 1 14 . 1 1 75 75 HIS N N 75 120.782 120.782 122.853 -2.071 19860 6150 1 14 . 1 1 75 75 HIS HA H 75 4.671 4.671 3.858 0.813 19860 6151 1 14 . 1 1 75 75 HIS C C 75 174.525 174.525 174.164 0.361 19860 6152 1 14 . 1 1 75 75 HIS CA C 75 55.758 55.758 54.871 0.887 19860 6153 1 14 . 1 1 75 75 HIS CB C 75 29.934 29.934 26.908 3.026 19860 6154 1 14 . 1 1 75 75 HIS H H 75 8.755 8.755 8.433 0.322 19860 6155 1 14 . 1 1 76 76 HIS N N 76 120.737 120.737 118.814 1.923 19860 6156 1 14 . 1 1 76 76 HIS HA H 76 4.666 4.666 4.582 0.084 19860 6157 1 14 . 1 1 76 76 HIS C C 76 173.873 173.873 173.130 0.743 19860 6158 1 14 . 1 1 76 76 HIS CA C 76 55.921 55.921 56.349 -0.428 19860 6159 1 14 . 1 1 76 76 HIS CB C 76 29.848 29.848 32.453 -2.604 19860 6160 1 14 . 1 1 76 76 HIS H H 76 8.693 8.693 8.047 0.646 19860 6161 1 15 . 1 1 2 2 LEU HA H 2 4.435 4.435 4.240 0.195 19860 6162 1 15 . 1 1 2 2 LEU C C 2 176.773 176.773 176.574 0.199 19860 6163 1 15 . 1 1 2 2 LEU CA C 2 55.299 55.299 55.561 -0.262 19860 6164 1 15 . 1 1 2 2 LEU CB C 2 42.529 42.529 42.424 0.105 19860 6165 1 15 . 1 1 3 3 LYS N N 3 123.220 123.220 122.071 1.149 19860 6166 1 15 . 1 1 3 3 LYS HA H 3 4.325 4.325 3.880 0.445 19860 6167 1 15 . 1 1 3 3 LYS C C 3 176.224 176.224 174.737 1.487 19860 6168 1 15 . 1 1 3 3 LYS CA C 3 56.344 56.344 56.925 -0.581 19860 6169 1 15 . 1 1 3 3 LYS CB C 3 33.335 33.335 30.667 2.668 19860 6170 1 15 . 1 1 3 3 LYS H H 3 8.520 8.520 8.328 0.192 19860 6171 1 15 . 1 1 4 4 HIS N N 4 119.727 119.727 119.832 -0.105 19860 6172 1 15 . 1 1 4 4 HIS HA H 4 4.721 4.721 4.729 -0.008 19860 6173 1 15 . 1 1 4 4 HIS C C 4 175.318 175.318 173.480 1.838 19860 6174 1 15 . 1 1 4 4 HIS CA C 4 55.941 55.941 54.886 1.055 19860 6175 1 15 . 1 1 4 4 HIS CB C 4 30.636 30.636 34.486 -3.850 19860 6176 1 15 . 1 1 4 4 HIS H H 4 8.486 8.486 8.402 0.084 19860 6177 1 15 . 1 1 5 5 GLY N N 5 110.318 110.318 109.262 1.056 19860 6178 1 15 . 1 1 5 5 GLY C C 5 172.966 172.966 172.713 0.253 19860 6179 1 15 . 1 1 5 5 GLY CA C 5 45.146 45.146 44.843 0.303 19860 6180 1 15 . 1 1 5 5 GLY H H 5 8.602 8.602 8.631 -0.029 19860 6181 1 15 . 1 1 6 6 LYS N N 6 120.808 120.808 125.441 -4.633 19860 6182 1 15 . 1 1 6 6 LYS HA H 6 4.438 4.438 4.851 -0.413 19860 6183 1 15 . 1 1 6 6 LYS C C 6 175.168 175.168 175.045 0.123 19860 6184 1 15 . 1 1 6 6 LYS CA C 6 56.179 56.179 54.469 1.710 19860 6185 1 15 . 1 1 6 6 LYS CB C 6 34.277 34.277 35.539 -1.262 19860 6186 1 15 . 1 1 6 6 LYS H H 6 8.275 8.275 8.247 0.028 19860 6187 1 15 . 1 1 7 7 TYR N N 7 118.666 118.666 121.269 -2.603 19860 6188 1 15 . 1 1 7 7 TYR HA H 7 5.513 5.513 5.175 0.338 19860 6189 1 15 . 1 1 7 7 TYR C C 7 176.004 176.004 176.345 -0.341 19860 6190 1 15 . 1 1 7 7 TYR CA C 7 56.971 56.971 58.768 -1.797 19860 6191 1 15 . 1 1 7 7 TYR CB C 7 41.032 41.032 39.069 1.963 19860 6192 1 15 . 1 1 7 7 TYR H H 7 8.351 8.351 8.651 -0.300 19860 6193 1 15 . 1 1 8 8 VAL N N 8 115.920 115.920 119.500 -3.580 19860 6194 1 15 . 1 1 8 8 VAL HA H 8 4.860 4.860 4.894 -0.034 19860 6195 1 15 . 1 1 8 8 VAL C C 8 173.220 173.220 173.575 -0.355 19860 6196 1 15 . 1 1 8 8 VAL CA C 8 59.694 59.694 58.961 0.733 19860 6197 1 15 . 1 1 8 8 VAL CB C 8 35.246 35.246 34.934 0.312 19860 6198 1 15 . 1 1 8 8 VAL H H 8 9.057 9.057 9.013 0.044 19860 6199 1 15 . 1 1 9 9 TYR N N 9 118.786 118.786 117.740 1.046 19860 6200 1 15 . 1 1 9 9 TYR HA H 9 5.515 5.515 5.625 -0.110 19860 6201 1 15 . 1 1 9 9 TYR C C 9 175.072 175.072 176.007 -0.935 19860 6202 1 15 . 1 1 9 9 TYR CA C 9 56.576 56.576 55.867 0.709 19860 6203 1 15 . 1 1 9 9 TYR CB C 9 41.532 41.532 42.038 -0.506 19860 6204 1 15 . 1 1 9 9 TYR H H 9 9.117 9.117 8.540 0.577 19860 6205 1 15 . 1 1 10 10 ILE N N 10 121.376 121.376 122.797 -1.421 19860 6206 1 15 . 1 1 10 10 ILE HA H 10 4.887 4.887 4.488 0.399 19860 6207 1 15 . 1 1 10 10 ILE C C 10 176.044 176.044 176.229 -0.185 19860 6208 1 15 . 1 1 10 10 ILE CA C 10 58.948 58.948 58.836 0.112 19860 6209 1 15 . 1 1 10 10 ILE CB C 10 38.537 38.537 37.612 0.925 19860 6210 1 15 . 1 1 10 10 ILE H H 10 9.514 9.514 8.923 0.591 19860 6211 1 15 . 1 1 11 11 ASP N N 11 126.501 126.501 128.547 -2.046 19860 6212 1 15 . 1 1 11 11 ASP HA H 11 4.390 4.390 4.283 0.107 19860 6213 1 15 . 1 1 11 11 ASP C C 11 175.850 175.850 176.130 -0.280 19860 6214 1 15 . 1 1 11 11 ASP CA C 11 53.377 53.377 54.399 -1.022 19860 6215 1 15 . 1 1 11 11 ASP CB C 11 41.808 41.808 40.258 1.550 19860 6216 1 15 . 1 1 11 11 ASP H H 11 8.676 8.676 8.798 -0.122 19860 6217 1 15 . 1 1 12 12 LEU N N 12 127.505 127.505 124.595 2.910 19860 6218 1 15 . 1 1 12 12 LEU HA H 12 4.319 4.319 4.107 0.212 19860 6219 1 15 . 1 1 12 12 LEU C C 12 176.132 176.132 177.747 -1.615 19860 6220 1 15 . 1 1 12 12 LEU CA C 12 55.439 55.439 55.903 -0.464 19860 6221 1 15 . 1 1 12 12 LEU CB C 12 40.312 40.312 42.086 -1.774 19860 6222 1 15 . 1 1 12 12 LEU H H 12 7.692 7.692 7.572 0.120 19860 6223 1 15 . 1 1 13 13 ASN N N 13 114.351 114.351 114.584 -0.233 19860 6224 1 15 . 1 1 13 13 ASN HA H 13 4.391 4.391 4.210 0.181 19860 6225 1 15 . 1 1 13 13 ASN C C 13 174.440 174.440 175.722 -1.282 19860 6226 1 15 . 1 1 13 13 ASN CA C 13 54.482 54.482 55.304 -0.822 19860 6227 1 15 . 1 1 13 13 ASN CB C 13 37.861 37.861 36.831 1.030 19860 6228 1 15 . 1 1 13 13 ASN H H 13 9.187 9.187 7.791 1.396 19860 6229 1 15 . 1 1 14 14 ASN N N 14 115.057 115.057 117.457 -2.400 19860 6230 1 15 . 1 1 14 14 ASN HA H 14 4.779 4.779 4.697 0.082 19860 6231 1 15 . 1 1 14 14 ASN C C 14 176.213 176.213 175.339 0.874 19860 6232 1 15 . 1 1 14 14 ASN CA C 14 52.149 52.149 52.999 -0.850 19860 6233 1 15 . 1 1 14 14 ASN CB C 14 38.727 38.727 37.123 1.604 19860 6234 1 15 . 1 1 14 14 ASN H H 14 7.737 7.737 8.300 -0.563 19860 6235 1 15 . 1 1 15 15 GLY N N 15 110.453 110.453 105.726 4.727 19860 6236 1 15 . 1 1 15 15 GLY C C 15 172.968 172.968 173.213 -0.245 19860 6237 1 15 . 1 1 15 15 GLY CA C 15 45.136 45.136 45.059 0.077 19860 6238 1 15 . 1 1 15 15 GLY H H 15 8.744 8.744 7.539 1.205 19860 6239 1 15 . 1 1 16 16 LYS N N 16 116.557 116.557 116.770 -0.213 19860 6240 1 15 . 1 1 16 16 LYS HA H 16 4.992 4.992 5.017 -0.025 19860 6241 1 15 . 1 1 16 16 LYS C C 16 175.214 175.214 173.873 1.341 19860 6242 1 15 . 1 1 16 16 LYS CA C 16 54.653 54.653 55.079 -0.426 19860 6243 1 15 . 1 1 16 16 LYS CB C 16 35.359 35.359 35.779 -0.420 19860 6244 1 15 . 1 1 16 16 LYS H H 16 7.559 7.559 7.404 0.155 19860 6245 1 15 . 1 1 17 17 TYR N N 17 117.020 117.020 117.077 -0.057 19860 6246 1 15 . 1 1 17 17 TYR HA H 17 5.551 5.551 4.786 0.765 19860 6247 1 15 . 1 1 17 17 TYR C C 17 175.491 175.491 174.295 1.196 19860 6248 1 15 . 1 1 17 17 TYR CA C 17 56.255 56.255 57.068 -0.813 19860 6249 1 15 . 1 1 17 17 TYR CB C 17 42.270 42.270 43.188 -0.918 19860 6250 1 15 . 1 1 17 17 TYR H H 17 8.577 8.577 8.286 0.291 19860 6251 1 15 . 1 1 18 18 VAL N N 18 121.032 121.032 120.986 0.046 19860 6252 1 15 . 1 1 18 18 VAL HA H 18 5.027 5.027 4.366 0.661 19860 6253 1 15 . 1 1 18 18 VAL C C 18 174.046 174.046 174.042 0.004 19860 6254 1 15 . 1 1 18 18 VAL CA C 18 59.711 59.711 60.348 -0.637 19860 6255 1 15 . 1 1 18 18 VAL CB C 18 35.076 35.076 33.614 1.462 19860 6256 1 15 . 1 1 18 18 VAL H H 18 8.829 8.829 8.478 0.351 19860 6257 1 15 . 1 1 19 19 LYS N N 19 130.251 130.251 129.948 0.303 19860 6258 1 15 . 1 1 19 19 LYS HA H 19 4.055 4.055 4.729 -0.674 19860 6259 1 15 . 1 1 19 19 LYS C C 19 175.628 175.628 175.271 0.357 19860 6260 1 15 . 1 1 19 19 LYS CA C 19 56.975 56.975 55.349 1.627 19860 6261 1 15 . 1 1 19 19 LYS CB C 19 33.380 33.380 33.038 0.343 19860 6262 1 15 . 1 1 19 19 LYS H H 19 8.388 8.388 8.549 -0.161 19860 6263 1 15 . 1 1 20 20 VAL N N 20 127.530 127.530 125.589 1.941 19860 6264 1 15 . 1 1 20 20 VAL HA H 20 4.946 4.946 4.429 0.517 19860 6265 1 15 . 1 1 20 20 VAL C C 20 173.581 173.581 173.993 -0.412 19860 6266 1 15 . 1 1 20 20 VAL CA C 20 60.483 60.483 59.642 0.841 19860 6267 1 15 . 1 1 20 20 VAL CB C 20 35.665 35.665 36.149 -0.484 19860 6268 1 15 . 1 1 20 20 VAL H H 20 9.428 9.428 8.913 0.515 19860 6269 1 15 . 1 1 21 21 ARG N N 21 125.804 125.804 128.509 -2.705 19860 6270 1 15 . 1 1 21 21 ARG HA H 21 4.716 4.716 4.618 0.098 19860 6271 1 15 . 1 1 21 21 ARG C C 21 174.905 174.905 175.048 -0.143 19860 6272 1 15 . 1 1 21 21 ARG CA C 21 54.864 54.864 55.021 -0.157 19860 6273 1 15 . 1 1 21 21 ARG CB C 21 32.881 32.881 30.548 2.333 19860 6274 1 15 . 1 1 21 21 ARG H H 21 9.084 9.084 8.613 0.471 19860 6275 1 15 . 1 1 22 22 ILE N N 22 124.167 124.167 126.985 -2.818 19860 6276 1 15 . 1 1 22 22 ILE HA H 22 4.624 4.624 4.296 0.328 19860 6277 1 15 . 1 1 22 22 ILE C C 22 175.887 175.887 174.803 1.084 19860 6278 1 15 . 1 1 22 22 ILE CA C 22 59.717 59.717 58.921 0.796 19860 6279 1 15 . 1 1 22 22 ILE CB C 22 38.699 38.699 37.054 1.645 19860 6280 1 15 . 1 1 22 22 ILE H H 22 8.554 8.554 9.012 -0.458 19860 6281 1 15 . 1 1 23 23 LEU N N 23 128.981 128.981 129.588 -0.607 19860 6282 1 15 . 1 1 23 23 LEU HA H 23 4.663 4.663 4.618 0.045 19860 6283 1 15 . 1 1 23 23 LEU C C 23 176.174 176.174 175.779 0.395 19860 6284 1 15 . 1 1 23 23 LEU CA C 23 53.897 53.897 54.295 -0.398 19860 6285 1 15 . 1 1 23 23 LEU CB C 23 43.556 43.556 41.244 2.312 19860 6286 1 15 . 1 1 23 23 LEU H H 23 8.835 8.835 8.891 -0.056 19860 6287 1 15 . 1 1 24 24 LYS N N 24 122.797 122.797 127.302 -4.505 19860 6288 1 15 . 1 1 24 24 LYS HA H 24 4.568 4.568 5.318 -0.750 19860 6289 1 15 . 1 1 24 24 LYS C C 24 176.407 176.407 175.173 1.234 19860 6290 1 15 . 1 1 24 24 LYS CA C 24 55.808 55.808 54.922 0.886 19860 6291 1 15 . 1 1 24 24 LYS CB C 24 34.082 34.082 35.312 -1.230 19860 6292 1 15 . 1 1 24 24 LYS H H 24 8.566 8.566 8.911 -0.345 19860 6293 1 15 . 1 1 25 25 SER N N 25 118.453 118.453 120.791 -2.338 19860 6294 1 15 . 1 1 25 25 SER HA H 25 4.477 4.477 4.813 -0.336 19860 6295 1 15 . 1 1 25 25 SER C C 25 175.038 175.038 173.442 1.596 19860 6296 1 15 . 1 1 25 25 SER CA C 25 58.146 58.146 58.041 0.105 19860 6297 1 15 . 1 1 25 25 SER CB C 25 63.977 63.977 64.990 -1.013 19860 6298 1 15 . 1 1 25 25 SER H H 25 8.668 8.668 8.915 -0.247 19860 6299 1 15 . 1 1 26 26 ARG N N 26 123.008 123.008 125.193 -2.185 19860 6300 1 15 . 1 1 26 26 ARG HA H 26 4.284 4.284 4.202 0.082 19860 6301 1 15 . 1 1 26 26 ARG C C 26 176.640 176.640 176.266 0.374 19860 6302 1 15 . 1 1 26 26 ARG CA C 26 57.171 57.171 57.462 -0.291 19860 6303 1 15 . 1 1 26 26 ARG CB C 26 30.748 30.748 30.468 0.280 19860 6304 1 15 . 1 1 26 26 ARG H H 26 8.667 8.667 8.486 0.181 19860 6305 1 15 . 1 1 27 27 ASP N N 27 118.281 118.281 117.846 0.435 19860 6306 1 15 . 1 1 27 27 ASP HA H 27 4.598 4.598 4.334 0.264 19860 6307 1 15 . 1 1 27 27 ASP C C 27 176.028 176.028 177.338 -1.310 19860 6308 1 15 . 1 1 27 27 ASP CA C 27 54.657 54.657 57.048 -2.391 19860 6309 1 15 . 1 1 27 27 ASP CB C 27 41.416 41.416 40.510 0.906 19860 6310 1 15 . 1 1 27 27 ASP H H 27 8.246 8.246 8.374 -0.128 19860 6311 1 15 . 1 1 28 28 ASP N N 28 118.646 118.646 117.176 1.470 19860 6312 1 15 . 1 1 28 28 ASP HA H 28 4.563 4.563 4.493 0.070 19860 6313 1 15 . 1 1 28 28 ASP C C 28 176.165 176.165 176.636 -0.471 19860 6314 1 15 . 1 1 28 28 ASP CA C 28 54.822 54.822 56.181 -1.359 19860 6315 1 15 . 1 1 28 28 ASP CB C 28 41.150 41.150 41.591 -0.441 19860 6316 1 15 . 1 1 28 28 ASP H H 28 8.034 8.034 8.421 -0.387 19860 6317 1 15 . 1 1 29 29 ASN N N 29 117.519 117.519 114.380 3.139 19860 6318 1 15 . 1 1 29 29 ASN HA H 29 4.734 4.734 4.723 0.011 19860 6319 1 15 . 1 1 29 29 ASN C C 29 175.116 175.116 173.193 1.923 19860 6320 1 15 . 1 1 29 29 ASN CA C 29 53.951 53.951 54.043 -0.092 19860 6321 1 15 . 1 1 29 29 ASN CB C 29 38.779 38.779 39.987 -1.208 19860 6322 1 15 . 1 1 29 29 ASN H H 29 8.473 8.473 8.480 -0.007 19860 6323 1 15 . 1 1 30 30 SER N N 30 114.910 114.910 115.048 -0.138 19860 6324 1 15 . 1 1 30 30 SER HA H 30 4.493 4.493 4.753 -0.260 19860 6325 1 15 . 1 1 30 30 SER C C 30 174.235 174.235 173.140 1.095 19860 6326 1 15 . 1 1 30 30 SER CA C 30 58.669 58.669 58.286 0.383 19860 6327 1 15 . 1 1 30 30 SER CB C 30 64.403 64.403 63.491 0.912 19860 6328 1 15 . 1 1 30 30 SER H H 30 8.206 8.206 8.264 -0.058 19860 6329 1 15 . 1 1 31 31 VAL N N 31 121.640 121.640 126.203 -4.563 19860 6330 1 15 . 1 1 31 31 VAL HA H 31 4.090 4.090 4.223 -0.133 19860 6331 1 15 . 1 1 31 31 VAL C C 31 175.873 175.873 174.415 1.458 19860 6332 1 15 . 1 1 31 31 VAL CA C 31 62.939 62.939 62.302 0.637 19860 6333 1 15 . 1 1 31 31 VAL CB C 31 32.878 32.878 33.253 -0.375 19860 6334 1 15 . 1 1 31 31 VAL H H 31 8.242 8.242 8.135 0.107 19860 6335 1 15 . 1 1 32 32 GLU N N 32 125.144 125.144 127.158 -2.014 19860 6336 1 15 . 1 1 32 32 GLU HA H 32 4.417 4.417 5.382 -0.965 19860 6337 1 15 . 1 1 32 32 GLU C C 32 175.532 175.532 175.115 0.417 19860 6338 1 15 . 1 1 32 32 GLU CA C 32 56.886 56.886 54.933 1.953 19860 6339 1 15 . 1 1 32 32 GLU CB C 32 31.059 31.059 32.254 -1.194 19860 6340 1 15 . 1 1 32 32 GLU H H 32 8.679 8.679 8.574 0.105 19860 6341 1 15 . 1 1 33 33 LYS N N 33 120.222 120.222 125.147 -4.925 19860 6342 1 15 . 1 1 33 33 LYS HA H 33 4.574 4.574 4.530 0.044 19860 6343 1 15 . 1 1 33 33 LYS C C 33 174.194 174.194 174.593 -0.399 19860 6344 1 15 . 1 1 33 33 LYS CA C 33 55.324 55.324 54.615 0.709 19860 6345 1 15 . 1 1 33 33 LYS CB C 33 35.258 35.258 35.093 0.165 19860 6346 1 15 . 1 1 33 33 LYS H H 33 8.229 8.229 8.507 -0.278 19860 6347 1 15 . 1 1 34 34 TYR N N 34 121.014 121.014 121.217 -0.203 19860 6348 1 15 . 1 1 34 34 TYR HA H 34 4.910 4.910 4.768 0.142 19860 6349 1 15 . 1 1 34 34 TYR C C 34 175.667 175.667 176.420 -0.753 19860 6350 1 15 . 1 1 34 34 TYR CA C 34 56.984 56.984 57.284 -0.300 19860 6351 1 15 . 1 1 34 34 TYR CB C 34 40.036 40.036 39.739 0.297 19860 6352 1 15 . 1 1 34 34 TYR H H 34 8.552 8.552 8.368 0.184 19860 6353 1 15 . 1 1 35 35 VAL N N 35 124.624 124.624 122.156 2.468 19860 6354 1 15 . 1 1 35 35 VAL HA H 35 4.301 4.301 4.023 0.278 19860 6355 1 15 . 1 1 35 35 VAL C C 35 175.490 175.490 176.327 -0.837 19860 6356 1 15 . 1 1 35 35 VAL CA C 35 61.869 61.869 62.797 -0.928 19860 6357 1 15 . 1 1 35 35 VAL CB C 35 33.510 33.510 33.172 0.338 19860 6358 1 15 . 1 1 35 35 VAL H H 35 9.337 9.337 8.323 1.014 19860 6359 1 15 . 1 1 36 36 LEU N N 36 127.814 127.814 126.525 1.289 19860 6360 1 15 . 1 1 36 36 LEU HA H 36 4.326 4.326 4.512 -0.186 19860 6361 1 15 . 1 1 36 36 LEU C C 36 177.355 177.355 177.067 0.288 19860 6362 1 15 . 1 1 36 36 LEU CA C 36 56.612 56.612 55.235 1.377 19860 6363 1 15 . 1 1 36 36 LEU CB C 36 41.899 41.899 40.592 1.307 19860 6364 1 15 . 1 1 36 36 LEU H H 36 8.845 8.845 8.479 0.366 19860 6365 1 15 . 1 1 37 37 THR N N 37 112.016 112.016 114.712 -2.696 19860 6366 1 15 . 1 1 37 37 THR HA H 37 4.904 4.904 4.336 0.568 19860 6367 1 15 . 1 1 37 37 THR C C 37 173.228 173.228 174.652 -1.424 19860 6368 1 15 . 1 1 37 37 THR CA C 37 61.023 61.023 62.142 -1.119 19860 6369 1 15 . 1 1 37 37 THR CB C 37 70.829 70.829 69.805 1.024 19860 6370 1 15 . 1 1 37 37 THR H H 37 7.374 7.374 7.757 -0.383 19860 6371 1 15 . 1 1 38 38 SER N N 38 111.049 111.049 118.040 -6.991 19860 6372 1 15 . 1 1 38 38 SER HA H 38 4.635 4.635 4.689 -0.054 19860 6373 1 15 . 1 1 38 38 SER C C 38 174.606 174.606 173.515 1.091 19860 6374 1 15 . 1 1 38 38 SER CA C 38 57.957 57.957 56.882 1.075 19860 6375 1 15 . 1 1 38 38 SER CB C 38 63.849 63.849 63.252 0.597 19860 6376 1 15 . 1 1 38 38 SER H H 38 8.387 8.387 7.990 0.397 19860 6377 1 15 . 1 1 39 39 HIS N N 39 122.230 122.230 123.589 -1.359 19860 6378 1 15 . 1 1 39 39 HIS HA H 39 4.768 4.768 4.337 0.431 19860 6379 1 15 . 1 1 39 39 HIS C C 39 173.143 173.143 174.316 -1.173 19860 6380 1 15 . 1 1 39 39 HIS CA C 39 56.328 56.328 57.367 -1.038 19860 6381 1 15 . 1 1 39 39 HIS CB C 39 29.938 29.938 30.139 -0.201 19860 6382 1 15 . 1 1 39 39 HIS H H 39 8.424 8.424 7.424 1.000 19860 6383 1 15 . 1 1 40 40 VAL N N 40 126.582 126.582 121.952 4.630 19860 6384 1 15 . 1 1 40 40 VAL HA H 40 4.915 4.915 4.660 0.255 19860 6385 1 15 . 1 1 40 40 VAL C C 40 175.763 175.763 175.146 0.617 19860 6386 1 15 . 1 1 40 40 VAL CA C 40 60.612 60.612 59.802 0.810 19860 6387 1 15 . 1 1 40 40 VAL CB C 40 34.085 34.085 34.376 -0.291 19860 6388 1 15 . 1 1 40 40 VAL H H 40 8.364 8.364 8.274 0.090 19860 6389 1 15 . 1 1 41 41 SER N N 41 121.067 121.067 117.280 3.787 19860 6390 1 15 . 1 1 41 41 SER HA H 41 4.947 4.947 4.755 0.192 19860 6391 1 15 . 1 1 41 41 SER C C 41 174.505 174.505 173.650 0.855 19860 6392 1 15 . 1 1 41 41 SER CA C 41 57.001 57.001 56.415 0.586 19860 6393 1 15 . 1 1 41 41 SER CB C 41 65.504 65.504 65.170 0.334 19860 6394 1 15 . 1 1 41 41 SER H H 41 9.297 9.297 8.930 0.367 19860 6395 1 15 . 1 1 42 42 LYS N N 42 123.812 123.812 124.625 -0.813 19860 6396 1 15 . 1 1 42 42 LYS HA H 42 4.905 4.905 4.295 0.610 19860 6397 1 15 . 1 1 42 42 LYS C C 42 175.037 175.037 175.758 -0.721 19860 6398 1 15 . 1 1 42 42 LYS CA C 42 56.600 56.600 55.849 0.750 19860 6399 1 15 . 1 1 42 42 LYS CB C 42 32.827 32.827 32.820 0.007 19860 6400 1 15 . 1 1 42 42 LYS H H 42 8.962 8.962 8.589 0.373 19860 6401 1 15 . 1 1 43 43 ASN N N 43 115.779 115.779 119.317 -3.538 19860 6402 1 15 . 1 1 43 43 ASN HA H 43 4.906 4.906 4.733 0.173 19860 6403 1 15 . 1 1 43 43 ASN C C 43 173.479 173.479 174.014 -0.535 19860 6404 1 15 . 1 1 43 43 ASN CA C 43 51.840 51.840 52.580 -0.740 19860 6405 1 15 . 1 1 43 43 ASN CB C 43 40.763 40.763 40.251 0.512 19860 6406 1 15 . 1 1 43 43 ASN H H 43 8.053 8.053 7.526 0.527 19860 6407 1 15 . 1 1 44 44 ARG N N 44 124.471 124.471 121.442 3.029 19860 6408 1 15 . 1 1 44 44 ARG HA H 44 3.217 3.217 4.031 -0.814 19860 6409 1 15 . 1 1 44 44 ARG C C 44 173.869 173.869 173.670 0.199 19860 6410 1 15 . 1 1 44 44 ARG CA C 44 54.034 54.034 53.595 0.439 19860 6411 1 15 . 1 1 44 44 ARG CB C 44 29.917 29.917 30.126 -0.209 19860 6412 1 15 . 1 1 44 44 ARG H H 44 8.565 8.565 8.305 0.260 19860 6413 1 15 . 1 1 45 45 PRO HA H 45 4.123 4.123 4.320 -0.197 19860 6414 1 15 . 1 1 45 45 PRO C C 45 176.434 176.434 175.885 0.549 19860 6415 1 15 . 1 1 45 45 PRO CA C 45 62.292 62.292 61.954 0.338 19860 6416 1 15 . 1 1 45 45 PRO CB C 45 32.110 32.110 31.842 0.268 19860 6417 1 15 . 1 1 46 46 LYS N N 46 122.529 122.529 120.263 2.266 19860 6418 1 15 . 1 1 46 46 LYS HA H 46 4.110 4.110 4.206 -0.096 19860 6419 1 15 . 1 1 46 46 LYS C C 46 176.931 176.931 176.830 0.101 19860 6420 1 15 . 1 1 46 46 LYS CA C 46 57.000 57.000 57.111 -0.111 19860 6421 1 15 . 1 1 46 46 LYS CB C 46 33.095 33.095 33.170 -0.075 19860 6422 1 15 . 1 1 46 46 LYS H H 46 8.470 8.470 8.244 0.226 19860 6423 1 15 . 1 1 47 47 ASN N N 47 117.122 117.122 120.361 -3.239 19860 6424 1 15 . 1 1 47 47 ASN HA H 47 4.589 4.589 4.753 -0.164 19860 6425 1 15 . 1 1 47 47 ASN C C 47 174.011 174.011 173.968 0.043 19860 6426 1 15 . 1 1 47 47 ASN CA C 47 53.493 53.493 52.840 0.653 19860 6427 1 15 . 1 1 47 47 ASN CB C 47 37.868 37.868 36.934 0.934 19860 6428 1 15 . 1 1 47 47 ASN H H 47 8.745 8.745 8.302 0.443 19860 6429 1 15 . 1 1 48 48 ALA N N 48 119.908 119.908 121.395 -1.487 19860 6430 1 15 . 1 1 48 48 ALA HA H 48 4.609 4.609 4.587 0.022 19860 6431 1 15 . 1 1 48 48 ALA C C 48 176.506 176.506 175.410 1.096 19860 6432 1 15 . 1 1 48 48 ALA CA C 48 51.136 51.136 51.563 -0.427 19860 6433 1 15 . 1 1 48 48 ALA CB C 48 22.389 22.389 21.348 1.041 19860 6434 1 15 . 1 1 48 48 ALA H H 48 7.394 7.394 7.876 -0.482 19860 6435 1 15 . 1 1 49 49 ILE N N 49 123.192 123.192 122.324 0.868 19860 6436 1 15 . 1 1 49 49 ILE HA H 49 4.140 4.140 4.378 -0.238 19860 6437 1 15 . 1 1 49 49 ILE C C 49 174.731 174.731 175.381 -0.650 19860 6438 1 15 . 1 1 49 49 ILE CA C 49 61.597 61.597 60.369 1.228 19860 6439 1 15 . 1 1 49 49 ILE CB C 49 38.166 38.166 37.045 1.121 19860 6440 1 15 . 1 1 49 49 ILE H H 49 8.878 8.878 8.752 0.126 19860 6441 1 15 . 1 1 50 50 VAL N N 50 127.552 127.552 124.921 2.631 19860 6442 1 15 . 1 1 50 50 VAL HA H 50 5.289 5.289 5.583 -0.294 19860 6443 1 15 . 1 1 50 50 VAL C C 50 176.411 176.411 175.496 0.915 19860 6444 1 15 . 1 1 50 50 VAL CA C 50 60.499 60.499 60.258 0.242 19860 6445 1 15 . 1 1 50 50 VAL CB C 50 33.890 33.890 33.057 0.833 19860 6446 1 15 . 1 1 50 50 VAL H H 50 8.371 8.371 8.301 0.070 19860 6447 1 15 . 1 1 51 51 ILE N N 51 126.906 126.906 127.931 -1.025 19860 6448 1 15 . 1 1 51 51 ILE HA H 51 4.691 4.691 4.431 0.260 19860 6449 1 15 . 1 1 51 51 ILE C C 51 175.322 175.322 175.395 -0.073 19860 6450 1 15 . 1 1 51 51 ILE CA C 51 59.439 59.439 60.209 -0.770 19860 6451 1 15 . 1 1 51 51 ILE CB C 51 41.189 41.189 40.813 0.376 19860 6452 1 15 . 1 1 51 51 ILE H H 51 9.314 9.314 9.029 0.285 19860 6453 1 15 . 1 1 52 52 LYS N N 52 123.523 123.523 125.989 -2.466 19860 6454 1 15 . 1 1 52 52 LYS HA H 52 4.686 4.686 4.416 0.270 19860 6455 1 15 . 1 1 52 52 LYS C C 52 178.237 178.237 177.940 0.297 19860 6456 1 15 . 1 1 52 52 LYS CA C 52 56.120 56.120 56.464 -0.344 19860 6457 1 15 . 1 1 52 52 LYS CB C 52 33.392 33.392 33.859 -0.467 19860 6458 1 15 . 1 1 52 52 LYS H H 52 8.737 8.737 8.641 0.096 19860 6459 1 15 . 1 1 53 53 MET N N 53 119.701 119.701 123.178 -3.477 19860 6460 1 15 . 1 1 53 53 MET HA H 53 3.908 3.908 4.069 -0.161 19860 6461 1 15 . 1 1 53 53 MET C C 53 177.401 177.401 177.861 -0.460 19860 6462 1 15 . 1 1 53 53 MET CA C 53 58.725 58.725 59.874 -1.149 19860 6463 1 15 . 1 1 53 53 MET CB C 53 33.383 33.383 32.372 1.011 19860 6464 1 15 . 1 1 53 53 MET H H 53 8.799 8.799 8.784 0.015 19860 6465 1 15 . 1 1 54 54 ASP N N 54 113.357 113.357 117.086 -3.729 19860 6466 1 15 . 1 1 54 54 ASP HA H 54 4.288 4.288 4.353 -0.065 19860 6467 1 15 . 1 1 54 54 ASP C C 54 176.649 176.649 177.335 -0.686 19860 6468 1 15 . 1 1 54 54 ASP CA C 54 56.682 56.682 56.457 0.225 19860 6469 1 15 . 1 1 54 54 ASP CB C 54 40.670 40.670 40.657 0.013 19860 6470 1 15 . 1 1 54 54 ASP H H 54 8.262 8.262 8.490 -0.228 19860 6471 1 15 . 1 1 55 55 ASN N N 55 114.935 114.935 116.260 -1.325 19860 6472 1 15 . 1 1 55 55 ASN HA H 55 5.001 5.001 4.676 0.325 19860 6473 1 15 . 1 1 55 55 ASN C C 55 175.032 175.032 176.057 -1.025 19860 6474 1 15 . 1 1 55 55 ASN CA C 55 52.897 52.897 54.397 -1.500 19860 6475 1 15 . 1 1 55 55 ASN CB C 55 39.184 39.184 39.336 -0.152 19860 6476 1 15 . 1 1 55 55 ASN H H 55 7.971 7.971 7.720 0.251 19860 6477 1 15 . 1 1 56 56 LEU N N 56 120.385 120.385 122.200 -1.815 19860 6478 1 15 . 1 1 56 56 LEU HA H 56 4.488 4.488 4.318 0.170 19860 6479 1 15 . 1 1 56 56 LEU C C 56 174.131 174.131 174.972 -0.841 19860 6480 1 15 . 1 1 56 56 LEU CA C 56 52.912 52.912 52.150 0.762 19860 6481 1 15 . 1 1 56 56 LEU CB C 56 41.958 41.958 40.172 1.786 19860 6482 1 15 . 1 1 56 56 LEU H H 56 7.331 7.331 7.632 -0.301 19860 6483 1 15 . 1 1 57 57 PRO HA H 57 4.617 4.617 4.488 0.129 19860 6484 1 15 . 1 1 57 57 PRO C C 57 178.627 178.627 177.573 1.054 19860 6485 1 15 . 1 1 57 57 PRO CA C 57 62.751 62.751 62.592 0.159 19860 6486 1 15 . 1 1 57 57 PRO CB C 57 32.718 32.718 32.303 0.415 19860 6487 1 15 . 1 1 58 58 ILE N N 58 125.295 125.295 120.114 5.181 19860 6488 1 15 . 1 1 58 58 ILE HA H 58 3.783 3.783 3.761 0.022 19860 6489 1 15 . 1 1 58 58 ILE C C 58 176.776 176.776 177.424 -0.648 19860 6490 1 15 . 1 1 58 58 ILE CA C 58 64.583 64.583 64.028 0.555 19860 6491 1 15 . 1 1 58 58 ILE CB C 58 37.959 37.959 37.504 0.455 19860 6492 1 15 . 1 1 58 58 ILE H H 58 8.882 8.882 8.367 0.515 19860 6493 1 15 . 1 1 59 59 GLU N N 59 118.869 118.869 119.996 -1.127 19860 6494 1 15 . 1 1 59 59 GLU HA H 59 4.254 4.254 4.092 0.162 19860 6495 1 15 . 1 1 59 59 GLU C C 59 179.370 179.370 178.684 0.686 19860 6496 1 15 . 1 1 59 59 GLU CA C 59 59.757 59.757 58.986 0.771 19860 6497 1 15 . 1 1 59 59 GLU CB C 59 29.053 29.053 28.738 0.314 19860 6498 1 15 . 1 1 59 59 GLU H H 59 9.348 9.348 8.789 0.559 19860 6499 1 15 . 1 1 60 60 VAL N N 60 118.990 118.990 121.334 -2.344 19860 6500 1 15 . 1 1 60 60 VAL HA H 60 3.772 3.772 3.586 0.186 19860 6501 1 15 . 1 1 60 60 VAL C C 60 177.451 177.451 177.890 -0.439 19860 6502 1 15 . 1 1 60 60 VAL CA C 60 65.331 65.331 66.104 -0.773 19860 6503 1 15 . 1 1 60 60 VAL CB C 60 31.869 31.869 31.668 0.201 19860 6504 1 15 . 1 1 60 60 VAL H H 60 7.290 7.290 7.466 -0.176 19860 6505 1 15 . 1 1 61 61 LYS N N 61 120.824 120.824 119.396 1.428 19860 6506 1 15 . 1 1 61 61 LYS HA H 61 3.782 3.782 3.907 -0.125 19860 6507 1 15 . 1 1 61 61 LYS C C 61 179.444 179.444 178.673 0.771 19860 6508 1 15 . 1 1 61 61 LYS CA C 61 61.060 61.060 59.953 1.107 19860 6509 1 15 . 1 1 61 61 LYS CB C 61 32.196 32.196 31.891 0.305 19860 6510 1 15 . 1 1 61 61 LYS H H 61 8.043 8.043 7.883 0.160 19860 6511 1 15 . 1 1 62 62 ASP N N 62 119.231 119.231 120.415 -1.184 19860 6512 1 15 . 1 1 62 62 ASP HA H 62 4.427 4.427 4.349 0.078 19860 6513 1 15 . 1 1 62 62 ASP C C 62 178.420 178.420 177.966 0.454 19860 6514 1 15 . 1 1 62 62 ASP CA C 62 57.851 57.851 57.594 0.257 19860 6515 1 15 . 1 1 62 62 ASP CB C 62 40.780 40.780 40.601 0.179 19860 6516 1 15 . 1 1 62 62 ASP H H 62 8.766 8.766 7.937 0.829 19860 6517 1 15 . 1 1 63 63 LYS N N 63 119.623 119.623 119.448 0.175 19860 6518 1 15 . 1 1 63 63 LYS HA H 63 4.025 4.025 4.039 -0.014 19860 6519 1 15 . 1 1 63 63 LYS C C 63 178.866 178.866 179.347 -0.481 19860 6520 1 15 . 1 1 63 63 LYS CA C 63 59.667 59.667 59.285 0.382 19860 6521 1 15 . 1 1 63 63 LYS CB C 63 32.929 32.929 32.534 0.395 19860 6522 1 15 . 1 1 63 63 LYS H H 63 7.391 7.391 7.515 -0.124 19860 6523 1 15 . 1 1 64 64 LEU N N 64 118.806 118.806 119.601 -0.795 19860 6524 1 15 . 1 1 64 64 LEU HA H 64 4.216 4.216 3.815 0.401 19860 6525 1 15 . 1 1 64 64 LEU C C 64 178.793 178.793 178.341 0.452 19860 6526 1 15 . 1 1 64 64 LEU CA C 64 58.011 58.011 57.845 0.166 19860 6527 1 15 . 1 1 64 64 LEU CB C 64 42.251 42.251 41.407 0.844 19860 6528 1 15 . 1 1 64 64 LEU H H 64 8.357 8.357 8.439 -0.082 19860 6529 1 15 . 1 1 65 65 THR N N 65 115.102 115.102 115.336 -0.234 19860 6530 1 15 . 1 1 65 65 THR HA H 65 3.920 3.920 3.578 0.342 19860 6531 1 15 . 1 1 65 65 THR C C 65 176.410 176.410 176.515 -0.105 19860 6532 1 15 . 1 1 65 65 THR CA C 65 66.705 66.705 67.100 -0.395 19860 6533 1 15 . 1 1 65 65 THR CB C 65 68.876 68.876 68.446 0.430 19860 6534 1 15 . 1 1 65 65 THR H H 65 8.343 8.343 8.116 0.227 19860 6535 1 15 . 1 1 66 66 ARG N N 66 119.405 119.405 120.211 -0.806 19860 6536 1 15 . 1 1 66 66 ARG HA H 66 4.067 4.067 4.033 0.034 19860 6537 1 15 . 1 1 66 66 ARG C C 66 177.988 177.988 177.687 0.301 19860 6538 1 15 . 1 1 66 66 ARG CA C 66 58.961 58.961 58.952 0.009 19860 6539 1 15 . 1 1 66 66 ARG CB C 66 30.302 30.302 30.188 0.114 19860 6540 1 15 . 1 1 66 66 ARG H H 66 7.832 7.832 7.948 -0.116 19860 6541 1 15 . 1 1 67 67 PHE N N 67 117.304 117.304 119.293 -1.989 19860 6542 1 15 . 1 1 67 67 PHE HA H 67 4.323 4.323 4.360 -0.037 19860 6543 1 15 . 1 1 67 67 PHE C C 67 177.141 177.141 176.147 0.994 19860 6544 1 15 . 1 1 67 67 PHE CA C 67 59.989 59.989 60.572 -0.583 19860 6545 1 15 . 1 1 67 67 PHE CB C 67 39.269 39.269 40.320 -1.051 19860 6546 1 15 . 1 1 67 67 PHE H H 67 8.190 8.190 7.578 0.612 19860 6547 1 15 . 1 1 68 68 PHE N N 68 114.297 114.297 112.126 2.171 19860 6548 1 15 . 1 1 68 68 PHE HA H 68 4.696 4.696 4.812 -0.116 19860 6549 1 15 . 1 1 68 68 PHE C C 68 175.969 175.969 175.428 0.541 19860 6550 1 15 . 1 1 68 68 PHE CA C 68 59.112 59.112 57.626 1.486 19860 6551 1 15 . 1 1 68 68 PHE CB C 68 40.100 40.100 39.238 0.862 19860 6552 1 15 . 1 1 68 68 PHE H H 68 8.087 8.087 7.747 0.340 19860 6553 1 15 . 1 1 69 69 LEU N N 69 119.594 119.594 121.461 -1.867 19860 6554 1 15 . 1 1 69 69 LEU HA H 69 4.476 4.476 4.481 -0.005 19860 6555 1 15 . 1 1 69 69 LEU C C 69 177.425 177.425 176.635 0.790 19860 6556 1 15 . 1 1 69 69 LEU CA C 69 55.805 55.805 55.758 0.047 19860 6557 1 15 . 1 1 69 69 LEU CB C 69 41.399 41.399 43.239 -1.839 19860 6558 1 15 . 1 1 69 69 LEU H H 69 7.823 7.823 7.017 0.806 19860 6559 1 15 . 1 1 70 70 LEU N N 70 119.723 119.723 120.647 -0.924 19860 6560 1 15 . 1 1 70 70 LEU HA H 70 4.341 4.341 3.939 0.402 19860 6561 1 15 . 1 1 70 70 LEU C C 70 177.443 177.443 175.803 1.640 19860 6562 1 15 . 1 1 70 70 LEU CA C 70 55.288 55.288 55.739 -0.451 19860 6563 1 15 . 1 1 70 70 LEU CB C 70 42.205 42.205 39.252 2.953 19860 6564 1 15 . 1 1 70 70 LEU H H 70 7.905 7.905 8.265 -0.360 19860 6565 1 15 . 1 1 71 71 GLU N N 71 120.533 120.533 122.077 -1.544 19860 6566 1 15 . 1 1 71 71 GLU HA H 71 4.200 4.200 4.040 0.160 19860 6567 1 15 . 1 1 71 71 GLU C C 71 176.250 176.250 175.080 1.170 19860 6568 1 15 . 1 1 71 71 GLU CA C 71 56.609 56.609 57.151 -0.542 19860 6569 1 15 . 1 1 71 71 GLU CB C 71 30.475 30.475 29.762 0.713 19860 6570 1 15 . 1 1 71 71 GLU H H 71 8.244 8.244 8.364 -0.120 19860 6571 1 15 . 1 1 72 72 HIS N N 72 119.783 119.783 119.721 0.062 19860 6572 1 15 . 1 1 72 72 HIS HA H 72 4.623 4.623 4.718 -0.095 19860 6573 1 15 . 1 1 72 72 HIS C C 72 174.645 174.645 174.954 -0.309 19860 6574 1 15 . 1 1 72 72 HIS CA C 72 55.737 55.737 55.656 0.081 19860 6575 1 15 . 1 1 72 72 HIS CB C 72 29.901 29.901 30.031 -0.130 19860 6576 1 15 . 1 1 72 72 HIS H H 72 8.403 8.403 8.565 -0.162 19860 6577 1 15 . 1 1 73 73 HIS N N 73 120.199 120.199 118.762 1.437 19860 6578 1 15 . 1 1 73 73 HIS HA H 73 4.625 4.625 4.384 0.241 19860 6579 1 15 . 1 1 73 73 HIS C C 73 174.552 174.552 174.105 0.447 19860 6580 1 15 . 1 1 73 73 HIS CA C 73 55.754 55.754 57.258 -1.504 19860 6581 1 15 . 1 1 73 73 HIS CB C 73 29.976 29.976 30.639 -0.663 19860 6582 1 15 . 1 1 73 73 HIS H H 73 8.539 8.539 7.916 0.623 19860 6583 1 15 . 1 1 74 74 HIS N N 74 120.457 120.457 113.668 6.789 19860 6584 1 15 . 1 1 74 74 HIS HA H 74 4.655 4.655 4.719 -0.064 19860 6585 1 15 . 1 1 74 74 HIS C C 74 174.638 174.638 174.538 0.100 19860 6586 1 15 . 1 1 74 74 HIS CA C 74 55.771 55.771 55.898 -0.127 19860 6587 1 15 . 1 1 74 74 HIS CB C 74 29.916 29.916 32.911 -2.995 19860 6588 1 15 . 1 1 74 74 HIS H H 74 8.681 8.681 7.890 0.791 19860 6589 1 15 . 1 1 75 75 HIS N N 75 120.782 120.782 119.271 1.511 19860 6590 1 15 . 1 1 75 75 HIS HA H 75 4.671 4.671 4.865 -0.194 19860 6591 1 15 . 1 1 75 75 HIS C C 75 174.525 174.525 174.452 0.073 19860 6592 1 15 . 1 1 75 75 HIS CA C 75 55.758 55.758 56.565 -0.807 19860 6593 1 15 . 1 1 75 75 HIS CB C 75 29.934 29.934 28.455 1.479 19860 6594 1 15 . 1 1 75 75 HIS H H 75 8.755 8.755 8.754 0.001 19860 6595 1 15 . 1 1 76 76 HIS N N 76 120.737 120.737 120.859 -0.122 19860 6596 1 15 . 1 1 76 76 HIS HA H 76 4.666 4.666 4.561 0.105 19860 6597 1 15 . 1 1 76 76 HIS C C 76 173.873 173.873 173.795 0.078 19860 6598 1 15 . 1 1 76 76 HIS CA C 76 55.921 55.921 56.298 -0.377 19860 6599 1 15 . 1 1 76 76 HIS CB C 76 29.848 29.848 30.522 -0.674 19860 6600 1 15 . 1 1 76 76 HIS H H 76 8.693 8.693 8.754 -0.061 19860 6601 1 16 . 1 1 2 2 LEU HA H 2 4.435 4.435 4.718 -0.283 19860 6602 1 16 . 1 1 2 2 LEU C C 2 176.773 176.773 175.487 1.286 19860 6603 1 16 . 1 1 2 2 LEU CA C 2 55.299 55.299 55.521 -0.222 19860 6604 1 16 . 1 1 2 2 LEU CB C 2 42.529 42.529 42.032 0.497 19860 6605 1 16 . 1 1 3 3 LYS N N 3 123.220 123.220 125.068 -1.848 19860 6606 1 16 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.586 -0.261 19860 6607 1 16 . 1 1 3 3 LYS C C 3 176.224 176.224 175.769 0.455 19860 6608 1 16 . 1 1 3 3 LYS CA C 3 56.344 56.344 55.802 0.542 19860 6609 1 16 . 1 1 3 3 LYS CB C 3 33.335 33.335 33.628 -0.293 19860 6610 1 16 . 1 1 3 3 LYS H H 3 8.520 8.520 8.449 0.071 19860 6611 1 16 . 1 1 4 4 HIS N N 4 119.727 119.727 122.469 -2.742 19860 6612 1 16 . 1 1 4 4 HIS HA H 4 4.721 4.721 4.552 0.169 19860 6613 1 16 . 1 1 4 4 HIS C C 4 175.318 175.318 175.242 0.076 19860 6614 1 16 . 1 1 4 4 HIS CA C 4 55.941 55.941 57.557 -1.616 19860 6615 1 16 . 1 1 4 4 HIS CB C 4 30.636 30.636 30.811 -0.176 19860 6616 1 16 . 1 1 4 4 HIS H H 4 8.486 8.486 8.777 -0.291 19860 6617 1 16 . 1 1 5 5 GLY N N 5 110.318 110.318 105.359 4.959 19860 6618 1 16 . 1 1 5 5 GLY C C 5 172.966 172.966 172.614 0.352 19860 6619 1 16 . 1 1 5 5 GLY CA C 5 45.146 45.146 44.327 0.819 19860 6620 1 16 . 1 1 5 5 GLY H H 5 8.602 8.602 7.865 0.737 19860 6621 1 16 . 1 1 6 6 LYS N N 6 120.808 120.808 125.046 -4.238 19860 6622 1 16 . 1 1 6 6 LYS HA H 6 4.438 4.438 4.656 -0.218 19860 6623 1 16 . 1 1 6 6 LYS C C 6 175.168 175.168 175.223 -0.055 19860 6624 1 16 . 1 1 6 6 LYS CA C 6 56.179 56.179 54.763 1.416 19860 6625 1 16 . 1 1 6 6 LYS CB C 6 34.277 34.277 34.551 -0.274 19860 6626 1 16 . 1 1 6 6 LYS H H 6 8.275 8.275 8.139 0.136 19860 6627 1 16 . 1 1 7 7 TYR N N 7 118.666 118.666 120.718 -2.052 19860 6628 1 16 . 1 1 7 7 TYR HA H 7 5.513 5.513 5.380 0.133 19860 6629 1 16 . 1 1 7 7 TYR C C 7 176.004 176.004 176.240 -0.236 19860 6630 1 16 . 1 1 7 7 TYR CA C 7 56.971 56.971 57.445 -0.474 19860 6631 1 16 . 1 1 7 7 TYR CB C 7 41.032 41.032 39.242 1.790 19860 6632 1 16 . 1 1 7 7 TYR H H 7 8.351 8.351 8.592 -0.241 19860 6633 1 16 . 1 1 8 8 VAL N N 8 115.920 115.920 117.628 -1.708 19860 6634 1 16 . 1 1 8 8 VAL HA H 8 4.860 4.860 4.648 0.212 19860 6635 1 16 . 1 1 8 8 VAL C C 8 173.220 173.220 173.594 -0.374 19860 6636 1 16 . 1 1 8 8 VAL CA C 8 59.694 59.694 59.427 0.267 19860 6637 1 16 . 1 1 8 8 VAL CB C 8 35.246 35.246 35.157 0.089 19860 6638 1 16 . 1 1 8 8 VAL H H 8 9.057 9.057 8.919 0.138 19860 6639 1 16 . 1 1 9 9 TYR N N 9 118.786 118.786 117.793 0.993 19860 6640 1 16 . 1 1 9 9 TYR HA H 9 5.515 5.515 5.564 -0.049 19860 6641 1 16 . 1 1 9 9 TYR C C 9 175.072 175.072 175.992 -0.920 19860 6642 1 16 . 1 1 9 9 TYR CA C 9 56.576 56.576 55.999 0.577 19860 6643 1 16 . 1 1 9 9 TYR CB C 9 41.532 41.532 41.745 -0.213 19860 6644 1 16 . 1 1 9 9 TYR H H 9 9.117 9.117 8.706 0.411 19860 6645 1 16 . 1 1 10 10 ILE N N 10 121.376 121.376 123.223 -1.847 19860 6646 1 16 . 1 1 10 10 ILE HA H 10 4.887 4.887 4.666 0.221 19860 6647 1 16 . 1 1 10 10 ILE C C 10 176.044 176.044 176.238 -0.194 19860 6648 1 16 . 1 1 10 10 ILE CA C 10 58.948 58.948 58.735 0.213 19860 6649 1 16 . 1 1 10 10 ILE CB C 10 38.537 38.537 37.486 1.050 19860 6650 1 16 . 1 1 10 10 ILE H H 10 9.514 9.514 9.021 0.493 19860 6651 1 16 . 1 1 11 11 ASP N N 11 126.501 126.501 128.416 -1.915 19860 6652 1 16 . 1 1 11 11 ASP HA H 11 4.390 4.390 4.448 -0.058 19860 6653 1 16 . 1 1 11 11 ASP C C 11 175.850 175.850 176.398 -0.548 19860 6654 1 16 . 1 1 11 11 ASP CA C 11 53.377 53.377 54.032 -0.655 19860 6655 1 16 . 1 1 11 11 ASP CB C 11 41.808 41.808 40.457 1.351 19860 6656 1 16 . 1 1 11 11 ASP H H 11 8.676 8.676 8.676 -0.000 19860 6657 1 16 . 1 1 12 12 LEU N N 12 127.505 127.505 124.906 2.599 19860 6658 1 16 . 1 1 12 12 LEU HA H 12 4.319 4.319 4.125 0.194 19860 6659 1 16 . 1 1 12 12 LEU C C 12 176.132 176.132 177.757 -1.625 19860 6660 1 16 . 1 1 12 12 LEU CA C 12 55.439 55.439 55.894 -0.455 19860 6661 1 16 . 1 1 12 12 LEU CB C 12 40.312 40.312 41.892 -1.580 19860 6662 1 16 . 1 1 12 12 LEU H H 12 7.692 7.692 7.622 0.070 19860 6663 1 16 . 1 1 13 13 ASN N N 13 114.351 114.351 113.953 0.398 19860 6664 1 16 . 1 1 13 13 ASN HA H 13 4.391 4.391 4.227 0.164 19860 6665 1 16 . 1 1 13 13 ASN C C 13 174.440 174.440 174.813 -0.373 19860 6666 1 16 . 1 1 13 13 ASN CA C 13 54.482 54.482 54.372 0.110 19860 6667 1 16 . 1 1 13 13 ASN CB C 13 37.861 37.861 37.520 0.341 19860 6668 1 16 . 1 1 13 13 ASN H H 13 9.187 9.187 7.935 1.252 19860 6669 1 16 . 1 1 14 14 ASN N N 14 115.057 115.057 116.297 -1.240 19860 6670 1 16 . 1 1 14 14 ASN HA H 14 4.779 4.779 4.809 -0.030 19860 6671 1 16 . 1 1 14 14 ASN C C 14 176.213 176.213 175.902 0.311 19860 6672 1 16 . 1 1 14 14 ASN CA C 14 52.149 52.149 52.598 -0.449 19860 6673 1 16 . 1 1 14 14 ASN CB C 14 38.727 38.727 38.253 0.474 19860 6674 1 16 . 1 1 14 14 ASN H H 14 7.737 7.737 7.768 -0.031 19860 6675 1 16 . 1 1 15 15 GLY N N 15 110.453 110.453 107.400 3.053 19860 6676 1 16 . 1 1 15 15 GLY C C 15 172.968 172.968 173.171 -0.203 19860 6677 1 16 . 1 1 15 15 GLY CA C 15 45.136 45.136 45.077 0.059 19860 6678 1 16 . 1 1 15 15 GLY H H 15 8.744 8.744 8.328 0.416 19860 6679 1 16 . 1 1 16 16 LYS N N 16 116.557 116.557 117.042 -0.485 19860 6680 1 16 . 1 1 16 16 LYS HA H 16 4.992 4.992 4.990 0.002 19860 6681 1 16 . 1 1 16 16 LYS C C 16 175.214 175.214 173.909 1.305 19860 6682 1 16 . 1 1 16 16 LYS CA C 16 54.653 54.653 55.230 -0.577 19860 6683 1 16 . 1 1 16 16 LYS CB C 16 35.359 35.359 35.715 -0.356 19860 6684 1 16 . 1 1 16 16 LYS H H 16 7.559 7.559 7.323 0.236 19860 6685 1 16 . 1 1 17 17 TYR N N 17 117.020 117.020 118.071 -1.051 19860 6686 1 16 . 1 1 17 17 TYR HA H 17 5.551 5.551 4.853 0.698 19860 6687 1 16 . 1 1 17 17 TYR C C 17 175.491 175.491 174.313 1.178 19860 6688 1 16 . 1 1 17 17 TYR CA C 17 56.255 56.255 57.173 -0.918 19860 6689 1 16 . 1 1 17 17 TYR CB C 17 42.270 42.270 43.208 -0.938 19860 6690 1 16 . 1 1 17 17 TYR H H 17 8.577 8.577 9.108 -0.531 19860 6691 1 16 . 1 1 18 18 VAL N N 18 121.032 121.032 121.040 -0.008 19860 6692 1 16 . 1 1 18 18 VAL HA H 18 5.027 5.027 4.365 0.662 19860 6693 1 16 . 1 1 18 18 VAL C C 18 174.046 174.046 173.942 0.104 19860 6694 1 16 . 1 1 18 18 VAL CA C 18 59.711 59.711 60.319 -0.608 19860 6695 1 16 . 1 1 18 18 VAL CB C 18 35.076 35.076 33.967 1.109 19860 6696 1 16 . 1 1 18 18 VAL H H 18 8.829 8.829 8.484 0.345 19860 6697 1 16 . 1 1 19 19 LYS N N 19 130.251 130.251 129.338 0.913 19860 6698 1 16 . 1 1 19 19 LYS HA H 19 4.055 4.055 4.693 -0.638 19860 6699 1 16 . 1 1 19 19 LYS C C 19 175.628 175.628 175.243 0.385 19860 6700 1 16 . 1 1 19 19 LYS CA C 19 56.975 56.975 55.337 1.638 19860 6701 1 16 . 1 1 19 19 LYS CB C 19 33.380 33.380 33.441 -0.060 19860 6702 1 16 . 1 1 19 19 LYS H H 19 8.388 8.388 7.992 0.396 19860 6703 1 16 . 1 1 20 20 VAL N N 20 127.530 127.530 125.469 2.061 19860 6704 1 16 . 1 1 20 20 VAL HA H 20 4.946 4.946 4.391 0.555 19860 6705 1 16 . 1 1 20 20 VAL C C 20 173.581 173.581 173.909 -0.328 19860 6706 1 16 . 1 1 20 20 VAL CA C 20 60.483 60.483 59.484 0.999 19860 6707 1 16 . 1 1 20 20 VAL CB C 20 35.665 35.665 36.187 -0.522 19860 6708 1 16 . 1 1 20 20 VAL H H 20 9.428 9.428 9.019 0.409 19860 6709 1 16 . 1 1 21 21 ARG N N 21 125.804 125.804 128.368 -2.564 19860 6710 1 16 . 1 1 21 21 ARG HA H 21 4.716 4.716 4.706 0.010 19860 6711 1 16 . 1 1 21 21 ARG C C 21 174.905 174.905 175.131 -0.226 19860 6712 1 16 . 1 1 21 21 ARG CA C 21 54.864 54.864 54.832 0.032 19860 6713 1 16 . 1 1 21 21 ARG CB C 21 32.881 32.881 30.726 2.155 19860 6714 1 16 . 1 1 21 21 ARG H H 21 9.084 9.084 8.553 0.531 19860 6715 1 16 . 1 1 22 22 ILE N N 22 124.167 124.167 126.945 -2.778 19860 6716 1 16 . 1 1 22 22 ILE HA H 22 4.624 4.624 4.341 0.283 19860 6717 1 16 . 1 1 22 22 ILE C C 22 175.887 175.887 174.770 1.117 19860 6718 1 16 . 1 1 22 22 ILE CA C 22 59.717 59.717 58.605 1.112 19860 6719 1 16 . 1 1 22 22 ILE CB C 22 38.699 38.699 37.134 1.565 19860 6720 1 16 . 1 1 22 22 ILE H H 22 8.554 8.554 8.917 -0.363 19860 6721 1 16 . 1 1 23 23 LEU N N 23 128.981 128.981 129.339 -0.358 19860 6722 1 16 . 1 1 23 23 LEU HA H 23 4.663 4.663 4.625 0.038 19860 6723 1 16 . 1 1 23 23 LEU C C 23 176.174 176.174 175.617 0.557 19860 6724 1 16 . 1 1 23 23 LEU CA C 23 53.897 53.897 53.776 0.121 19860 6725 1 16 . 1 1 23 23 LEU CB C 23 43.556 43.556 41.693 1.863 19860 6726 1 16 . 1 1 23 23 LEU H H 23 8.835 8.835 8.811 0.024 19860 6727 1 16 . 1 1 24 24 LYS N N 24 122.797 122.797 126.502 -3.705 19860 6728 1 16 . 1 1 24 24 LYS HA H 24 4.568 4.568 5.154 -0.586 19860 6729 1 16 . 1 1 24 24 LYS C C 24 176.407 176.407 174.842 1.565 19860 6730 1 16 . 1 1 24 24 LYS CA C 24 55.808 55.808 54.468 1.340 19860 6731 1 16 . 1 1 24 24 LYS CB C 24 34.082 34.082 34.925 -0.843 19860 6732 1 16 . 1 1 24 24 LYS H H 24 8.566 8.566 8.745 -0.179 19860 6733 1 16 . 1 1 25 25 SER N N 25 118.453 118.453 122.358 -3.905 19860 6734 1 16 . 1 1 25 25 SER HA H 25 4.477 4.477 4.935 -0.458 19860 6735 1 16 . 1 1 25 25 SER C C 25 175.038 175.038 174.090 0.948 19860 6736 1 16 . 1 1 25 25 SER CA C 25 58.146 58.146 56.923 1.222 19860 6737 1 16 . 1 1 25 25 SER CB C 25 63.977 63.977 63.953 0.024 19860 6738 1 16 . 1 1 25 25 SER H H 25 8.668 8.668 8.994 -0.326 19860 6739 1 16 . 1 1 26 26 ARG N N 26 123.008 123.008 126.235 -3.227 19860 6740 1 16 . 1 1 26 26 ARG HA H 26 4.284 4.284 4.291 -0.007 19860 6741 1 16 . 1 1 26 26 ARG C C 26 176.640 176.640 176.333 0.307 19860 6742 1 16 . 1 1 26 26 ARG CA C 26 57.171 57.171 57.965 -0.794 19860 6743 1 16 . 1 1 26 26 ARG CB C 26 30.748 30.748 30.350 0.398 19860 6744 1 16 . 1 1 26 26 ARG H H 26 8.667 8.667 8.697 -0.030 19860 6745 1 16 . 1 1 27 27 ASP N N 27 118.281 118.281 117.382 0.899 19860 6746 1 16 . 1 1 27 27 ASP HA H 27 4.598 4.598 4.426 0.172 19860 6747 1 16 . 1 1 27 27 ASP C C 27 176.028 176.028 176.395 -0.367 19860 6748 1 16 . 1 1 27 27 ASP CA C 27 54.657 54.657 56.316 -1.659 19860 6749 1 16 . 1 1 27 27 ASP CB C 27 41.416 41.416 40.109 1.306 19860 6750 1 16 . 1 1 27 27 ASP H H 27 8.246 8.246 8.230 0.016 19860 6751 1 16 . 1 1 28 28 ASP N N 28 118.646 118.646 118.544 0.102 19860 6752 1 16 . 1 1 28 28 ASP HA H 28 4.563 4.563 4.503 0.060 19860 6753 1 16 . 1 1 28 28 ASP C C 28 176.165 176.165 176.346 -0.181 19860 6754 1 16 . 1 1 28 28 ASP CA C 28 54.822 54.822 55.398 -0.576 19860 6755 1 16 . 1 1 28 28 ASP CB C 28 41.150 41.150 42.153 -1.003 19860 6756 1 16 . 1 1 28 28 ASP H H 28 8.034 8.034 8.001 0.033 19860 6757 1 16 . 1 1 29 29 ASN N N 29 117.519 117.519 117.314 0.205 19860 6758 1 16 . 1 1 29 29 ASN HA H 29 4.734 4.734 4.724 0.010 19860 6759 1 16 . 1 1 29 29 ASN C C 29 175.116 175.116 173.672 1.444 19860 6760 1 16 . 1 1 29 29 ASN CA C 29 53.951 53.951 53.875 0.076 19860 6761 1 16 . 1 1 29 29 ASN CB C 29 38.779 38.779 40.145 -1.366 19860 6762 1 16 . 1 1 29 29 ASN H H 29 8.473 8.473 7.666 0.807 19860 6763 1 16 . 1 1 30 30 SER N N 30 114.910 114.910 115.979 -1.069 19860 6764 1 16 . 1 1 30 30 SER HA H 30 4.493 4.493 4.589 -0.096 19860 6765 1 16 . 1 1 30 30 SER C C 30 174.235 174.235 172.743 1.492 19860 6766 1 16 . 1 1 30 30 SER CA C 30 58.669 58.669 58.383 0.285 19860 6767 1 16 . 1 1 30 30 SER CB C 30 64.403 64.403 63.224 1.179 19860 6768 1 16 . 1 1 30 30 SER H H 30 8.206 8.206 8.359 -0.153 19860 6769 1 16 . 1 1 31 31 VAL N N 31 121.640 121.640 126.191 -4.551 19860 6770 1 16 . 1 1 31 31 VAL HA H 31 4.090 4.090 4.162 -0.072 19860 6771 1 16 . 1 1 31 31 VAL C C 31 175.873 175.873 174.451 1.422 19860 6772 1 16 . 1 1 31 31 VAL CA C 31 62.939 62.939 62.313 0.626 19860 6773 1 16 . 1 1 31 31 VAL CB C 31 32.878 32.878 33.274 -0.396 19860 6774 1 16 . 1 1 31 31 VAL H H 31 8.242 8.242 8.815 -0.573 19860 6775 1 16 . 1 1 32 32 GLU N N 32 125.144 125.144 127.706 -2.562 19860 6776 1 16 . 1 1 32 32 GLU HA H 32 4.417 4.417 5.006 -0.589 19860 6777 1 16 . 1 1 32 32 GLU C C 32 175.532 175.532 175.248 0.284 19860 6778 1 16 . 1 1 32 32 GLU CA C 32 56.886 56.886 54.865 2.021 19860 6779 1 16 . 1 1 32 32 GLU CB C 32 31.059 31.059 30.596 0.463 19860 6780 1 16 . 1 1 32 32 GLU H H 32 8.679 8.679 8.687 -0.008 19860 6781 1 16 . 1 1 33 33 LYS N N 33 120.222 120.222 122.353 -2.131 19860 6782 1 16 . 1 1 33 33 LYS HA H 33 4.574 4.574 4.421 0.153 19860 6783 1 16 . 1 1 33 33 LYS C C 33 174.194 174.194 174.698 -0.504 19860 6784 1 16 . 1 1 33 33 LYS CA C 33 55.324 55.324 54.572 0.752 19860 6785 1 16 . 1 1 33 33 LYS CB C 33 35.258 35.258 35.171 0.087 19860 6786 1 16 . 1 1 33 33 LYS H H 33 8.229 8.229 8.403 -0.174 19860 6787 1 16 . 1 1 34 34 TYR N N 34 121.014 121.014 119.068 1.946 19860 6788 1 16 . 1 1 34 34 TYR HA H 34 4.910 4.910 4.819 0.091 19860 6789 1 16 . 1 1 34 34 TYR C C 34 175.667 175.667 176.323 -0.656 19860 6790 1 16 . 1 1 34 34 TYR CA C 34 56.984 56.984 57.347 -0.363 19860 6791 1 16 . 1 1 34 34 TYR CB C 34 40.036 40.036 40.061 -0.025 19860 6792 1 16 . 1 1 34 34 TYR H H 34 8.552 8.552 8.390 0.162 19860 6793 1 16 . 1 1 35 35 VAL N N 35 124.624 124.624 122.734 1.890 19860 6794 1 16 . 1 1 35 35 VAL HA H 35 4.301 4.301 3.980 0.321 19860 6795 1 16 . 1 1 35 35 VAL C C 35 175.490 175.490 176.424 -0.934 19860 6796 1 16 . 1 1 35 35 VAL CA C 35 61.869 61.869 62.679 -0.810 19860 6797 1 16 . 1 1 35 35 VAL CB C 35 33.510 33.510 33.221 0.289 19860 6798 1 16 . 1 1 35 35 VAL H H 35 9.337 9.337 8.246 1.091 19860 6799 1 16 . 1 1 36 36 LEU N N 36 127.814 127.814 125.048 2.766 19860 6800 1 16 . 1 1 36 36 LEU HA H 36 4.326 4.326 4.496 -0.170 19860 6801 1 16 . 1 1 36 36 LEU C C 36 177.355 177.355 176.448 0.907 19860 6802 1 16 . 1 1 36 36 LEU CA C 36 56.612 56.612 55.178 1.434 19860 6803 1 16 . 1 1 36 36 LEU CB C 36 41.899 41.899 42.190 -0.291 19860 6804 1 16 . 1 1 36 36 LEU H H 36 8.845 8.845 8.463 0.383 19860 6805 1 16 . 1 1 37 37 THR N N 37 112.016 112.016 113.219 -1.203 19860 6806 1 16 . 1 1 37 37 THR HA H 37 4.904 4.904 4.453 0.451 19860 6807 1 16 . 1 1 37 37 THR C C 37 173.228 173.228 174.258 -1.030 19860 6808 1 16 . 1 1 37 37 THR CA C 37 61.023 61.023 62.273 -1.250 19860 6809 1 16 . 1 1 37 37 THR CB C 37 70.829 70.829 69.614 1.215 19860 6810 1 16 . 1 1 37 37 THR H H 37 7.374 7.374 7.754 -0.380 19860 6811 1 16 . 1 1 38 38 SER N N 38 111.049 111.049 119.581 -8.532 19860 6812 1 16 . 1 1 38 38 SER HA H 38 4.635 4.635 4.601 0.034 19860 6813 1 16 . 1 1 38 38 SER C C 38 174.606 174.606 172.912 1.694 19860 6814 1 16 . 1 1 38 38 SER CA C 38 57.957 57.957 56.779 1.178 19860 6815 1 16 . 1 1 38 38 SER CB C 38 63.849 63.849 63.262 0.587 19860 6816 1 16 . 1 1 38 38 SER H H 38 8.387 8.387 8.464 -0.077 19860 6817 1 16 . 1 1 39 39 HIS N N 39 122.230 122.230 122.370 -0.140 19860 6818 1 16 . 1 1 39 39 HIS HA H 39 4.768 4.768 4.199 0.569 19860 6819 1 16 . 1 1 39 39 HIS C C 39 173.143 173.143 174.576 -1.433 19860 6820 1 16 . 1 1 39 39 HIS CA C 39 56.328 56.328 56.923 -0.595 19860 6821 1 16 . 1 1 39 39 HIS CB C 39 29.938 29.938 30.005 -0.067 19860 6822 1 16 . 1 1 39 39 HIS H H 39 8.424 8.424 7.570 0.854 19860 6823 1 16 . 1 1 40 40 VAL N N 40 126.582 126.582 121.405 5.177 19860 6824 1 16 . 1 1 40 40 VAL HA H 40 4.915 4.915 4.729 0.186 19860 6825 1 16 . 1 1 40 40 VAL C C 40 175.763 175.763 175.434 0.329 19860 6826 1 16 . 1 1 40 40 VAL CA C 40 60.612 60.612 60.637 -0.025 19860 6827 1 16 . 1 1 40 40 VAL CB C 40 34.085 34.085 33.513 0.572 19860 6828 1 16 . 1 1 40 40 VAL H H 40 8.364 8.364 8.182 0.182 19860 6829 1 16 . 1 1 41 41 SER N N 41 121.067 121.067 119.205 1.862 19860 6830 1 16 . 1 1 41 41 SER HA H 41 4.947 4.947 4.925 0.022 19860 6831 1 16 . 1 1 41 41 SER C C 41 174.505 174.505 174.098 0.407 19860 6832 1 16 . 1 1 41 41 SER CA C 41 57.001 57.001 57.076 -0.075 19860 6833 1 16 . 1 1 41 41 SER CB C 41 65.504 65.504 66.365 -0.861 19860 6834 1 16 . 1 1 41 41 SER H H 41 9.297 9.297 9.156 0.141 19860 6835 1 16 . 1 1 42 42 LYS N N 42 123.812 123.812 121.122 2.690 19860 6836 1 16 . 1 1 42 42 LYS HA H 42 4.905 4.905 4.389 0.516 19860 6837 1 16 . 1 1 42 42 LYS C C 42 175.037 175.037 175.814 -0.777 19860 6838 1 16 . 1 1 42 42 LYS CA C 42 56.600 56.600 56.239 0.361 19860 6839 1 16 . 1 1 42 42 LYS CB C 42 32.827 32.827 32.894 -0.067 19860 6840 1 16 . 1 1 42 42 LYS H H 42 8.962 8.962 8.590 0.372 19860 6841 1 16 . 1 1 43 43 ASN N N 43 115.779 115.779 117.621 -1.842 19860 6842 1 16 . 1 1 43 43 ASN HA H 43 4.906 4.906 4.765 0.141 19860 6843 1 16 . 1 1 43 43 ASN C C 43 173.479 173.479 174.648 -1.169 19860 6844 1 16 . 1 1 43 43 ASN CA C 43 51.840 51.840 52.470 -0.630 19860 6845 1 16 . 1 1 43 43 ASN CB C 43 40.763 40.763 40.098 0.665 19860 6846 1 16 . 1 1 43 43 ASN H H 43 8.053 8.053 8.026 0.027 19860 6847 1 16 . 1 1 44 44 ARG N N 44 124.471 124.471 122.273 2.198 19860 6848 1 16 . 1 1 44 44 ARG HA H 44 3.217 3.217 3.965 -0.748 19860 6849 1 16 . 1 1 44 44 ARG C C 44 173.869 173.869 173.996 -0.127 19860 6850 1 16 . 1 1 44 44 ARG CA C 44 54.034 54.034 54.446 -0.412 19860 6851 1 16 . 1 1 44 44 ARG CB C 44 29.917 29.917 29.694 0.223 19860 6852 1 16 . 1 1 44 44 ARG H H 44 8.565 8.565 8.360 0.205 19860 6853 1 16 . 1 1 45 45 PRO HA H 45 4.123 4.123 4.207 -0.084 19860 6854 1 16 . 1 1 45 45 PRO C C 45 176.434 176.434 176.558 -0.124 19860 6855 1 16 . 1 1 45 45 PRO CA C 45 62.292 62.292 62.431 -0.139 19860 6856 1 16 . 1 1 45 45 PRO CB C 45 32.110 32.110 31.553 0.557 19860 6857 1 16 . 1 1 46 46 LYS N N 46 122.529 122.529 123.183 -0.654 19860 6858 1 16 . 1 1 46 46 LYS HA H 46 4.110 4.110 4.068 0.042 19860 6859 1 16 . 1 1 46 46 LYS C C 46 176.931 176.931 176.948 -0.017 19860 6860 1 16 . 1 1 46 46 LYS CA C 46 57.000 57.000 57.962 -0.962 19860 6861 1 16 . 1 1 46 46 LYS CB C 46 33.095 33.095 32.791 0.304 19860 6862 1 16 . 1 1 46 46 LYS H H 46 8.470 8.470 8.393 0.077 19860 6863 1 16 . 1 1 47 47 ASN N N 47 117.122 117.122 118.259 -1.137 19860 6864 1 16 . 1 1 47 47 ASN HA H 47 4.589 4.589 4.804 -0.215 19860 6865 1 16 . 1 1 47 47 ASN C C 47 174.011 174.011 173.538 0.473 19860 6866 1 16 . 1 1 47 47 ASN CA C 47 53.493 53.493 52.712 0.780 19860 6867 1 16 . 1 1 47 47 ASN CB C 47 37.868 37.868 38.801 -0.933 19860 6868 1 16 . 1 1 47 47 ASN H H 47 8.745 8.745 8.017 0.728 19860 6869 1 16 . 1 1 48 48 ALA N N 48 119.908 119.908 125.075 -5.167 19860 6870 1 16 . 1 1 48 48 ALA HA H 48 4.609 4.609 4.631 -0.022 19860 6871 1 16 . 1 1 48 48 ALA C C 48 176.506 176.506 175.503 1.003 19860 6872 1 16 . 1 1 48 48 ALA CA C 48 51.136 51.136 51.538 -0.403 19860 6873 1 16 . 1 1 48 48 ALA CB C 48 22.389 22.389 21.110 1.279 19860 6874 1 16 . 1 1 48 48 ALA H H 48 7.394 7.394 8.190 -0.796 19860 6875 1 16 . 1 1 49 49 ILE N N 49 123.192 123.192 122.625 0.567 19860 6876 1 16 . 1 1 49 49 ILE HA H 49 4.140 4.140 4.457 -0.317 19860 6877 1 16 . 1 1 49 49 ILE C C 49 174.731 174.731 175.291 -0.560 19860 6878 1 16 . 1 1 49 49 ILE CA C 49 61.597 61.597 60.288 1.309 19860 6879 1 16 . 1 1 49 49 ILE CB C 49 38.166 38.166 37.167 0.999 19860 6880 1 16 . 1 1 49 49 ILE H H 49 8.878 8.878 8.722 0.156 19860 6881 1 16 . 1 1 50 50 VAL N N 50 127.552 127.552 123.748 3.804 19860 6882 1 16 . 1 1 50 50 VAL HA H 50 5.289 5.289 5.588 -0.299 19860 6883 1 16 . 1 1 50 50 VAL C C 50 176.411 176.411 175.241 1.170 19860 6884 1 16 . 1 1 50 50 VAL CA C 50 60.499 60.499 59.410 1.089 19860 6885 1 16 . 1 1 50 50 VAL CB C 50 33.890 33.890 33.690 0.200 19860 6886 1 16 . 1 1 50 50 VAL H H 50 8.371 8.371 8.373 -0.002 19860 6887 1 16 . 1 1 51 51 ILE N N 51 126.906 126.906 125.910 0.996 19860 6888 1 16 . 1 1 51 51 ILE HA H 51 4.691 4.691 4.444 0.247 19860 6889 1 16 . 1 1 51 51 ILE C C 51 175.322 175.322 174.987 0.335 19860 6890 1 16 . 1 1 51 51 ILE CA C 51 59.439 59.439 60.363 -0.924 19860 6891 1 16 . 1 1 51 51 ILE CB C 51 41.189 41.189 41.227 -0.038 19860 6892 1 16 . 1 1 51 51 ILE H H 51 9.314 9.314 9.141 0.173 19860 6893 1 16 . 1 1 52 52 LYS N N 52 123.523 123.523 127.504 -3.981 19860 6894 1 16 . 1 1 52 52 LYS HA H 52 4.686 4.686 4.589 0.097 19860 6895 1 16 . 1 1 52 52 LYS C C 52 178.237 178.237 177.905 0.332 19860 6896 1 16 . 1 1 52 52 LYS CA C 52 56.120 56.120 56.017 0.103 19860 6897 1 16 . 1 1 52 52 LYS CB C 52 33.392 33.392 33.705 -0.313 19860 6898 1 16 . 1 1 52 52 LYS H H 52 8.737 8.737 8.757 -0.020 19860 6899 1 16 . 1 1 53 53 MET N N 53 119.701 119.701 122.643 -2.942 19860 6900 1 16 . 1 1 53 53 MET HA H 53 3.908 3.908 3.993 -0.085 19860 6901 1 16 . 1 1 53 53 MET C C 53 177.401 177.401 177.933 -0.532 19860 6902 1 16 . 1 1 53 53 MET CA C 53 58.725 58.725 60.144 -1.419 19860 6903 1 16 . 1 1 53 53 MET CB C 53 33.383 33.383 32.252 1.131 19860 6904 1 16 . 1 1 53 53 MET H H 53 8.799 8.799 8.855 -0.056 19860 6905 1 16 . 1 1 54 54 ASP N N 54 113.357 113.357 118.524 -5.167 19860 6906 1 16 . 1 1 54 54 ASP HA H 54 4.288 4.288 4.278 0.010 19860 6907 1 16 . 1 1 54 54 ASP C C 54 176.649 176.649 178.471 -1.822 19860 6908 1 16 . 1 1 54 54 ASP CA C 54 56.682 56.682 57.285 -0.603 19860 6909 1 16 . 1 1 54 54 ASP CB C 54 40.670 40.670 40.708 -0.038 19860 6910 1 16 . 1 1 54 54 ASP H H 54 8.262 8.262 8.357 -0.095 19860 6911 1 16 . 1 1 55 55 ASN N N 55 114.935 114.935 116.775 -1.840 19860 6912 1 16 . 1 1 55 55 ASN HA H 55 5.001 5.001 4.635 0.366 19860 6913 1 16 . 1 1 55 55 ASN C C 55 175.032 175.032 175.606 -0.574 19860 6914 1 16 . 1 1 55 55 ASN CA C 55 52.897 52.897 54.262 -1.365 19860 6915 1 16 . 1 1 55 55 ASN CB C 55 39.184 39.184 39.142 0.042 19860 6916 1 16 . 1 1 55 55 ASN H H 55 7.971 7.971 7.955 0.016 19860 6917 1 16 . 1 1 56 56 LEU N N 56 120.385 120.385 121.230 -0.845 19860 6918 1 16 . 1 1 56 56 LEU HA H 56 4.488 4.488 4.418 0.070 19860 6919 1 16 . 1 1 56 56 LEU C C 56 174.131 174.131 175.030 -0.899 19860 6920 1 16 . 1 1 56 56 LEU CA C 56 52.912 52.912 51.651 1.261 19860 6921 1 16 . 1 1 56 56 LEU CB C 56 41.958 41.958 40.316 1.642 19860 6922 1 16 . 1 1 56 56 LEU H H 56 7.331 7.331 7.269 0.062 19860 6923 1 16 . 1 1 57 57 PRO HA H 57 4.617 4.617 4.450 0.167 19860 6924 1 16 . 1 1 57 57 PRO C C 57 178.627 178.627 177.784 0.843 19860 6925 1 16 . 1 1 57 57 PRO CA C 57 62.751 62.751 62.766 -0.015 19860 6926 1 16 . 1 1 57 57 PRO CB C 57 32.718 32.718 32.124 0.594 19860 6927 1 16 . 1 1 58 58 ILE N N 58 125.295 125.295 118.195 7.100 19860 6928 1 16 . 1 1 58 58 ILE HA H 58 3.783 3.783 3.708 0.075 19860 6929 1 16 . 1 1 58 58 ILE C C 58 176.776 176.776 177.489 -0.713 19860 6930 1 16 . 1 1 58 58 ILE CA C 58 64.583 64.583 64.256 0.327 19860 6931 1 16 . 1 1 58 58 ILE CB C 58 37.959 37.959 37.164 0.795 19860 6932 1 16 . 1 1 58 58 ILE H H 58 8.882 8.882 8.389 0.493 19860 6933 1 16 . 1 1 59 59 GLU N N 59 118.869 118.869 119.911 -1.042 19860 6934 1 16 . 1 1 59 59 GLU HA H 59 4.254 4.254 4.072 0.182 19860 6935 1 16 . 1 1 59 59 GLU C C 59 179.370 179.370 179.200 0.170 19860 6936 1 16 . 1 1 59 59 GLU CA C 59 59.757 59.757 59.663 0.094 19860 6937 1 16 . 1 1 59 59 GLU CB C 59 29.053 29.053 28.674 0.379 19860 6938 1 16 . 1 1 59 59 GLU H H 59 9.348 9.348 8.638 0.710 19860 6939 1 16 . 1 1 60 60 VAL N N 60 118.990 118.990 119.217 -0.227 19860 6940 1 16 . 1 1 60 60 VAL HA H 60 3.772 3.772 3.624 0.148 19860 6941 1 16 . 1 1 60 60 VAL C C 60 177.451 177.451 177.941 -0.490 19860 6942 1 16 . 1 1 60 60 VAL CA C 60 65.331 65.331 65.825 -0.494 19860 6943 1 16 . 1 1 60 60 VAL CB C 60 31.869 31.869 30.867 1.002 19860 6944 1 16 . 1 1 60 60 VAL H H 60 7.290 7.290 7.704 -0.414 19860 6945 1 16 . 1 1 61 61 LYS N N 61 120.824 120.824 120.158 0.666 19860 6946 1 16 . 1 1 61 61 LYS HA H 61 3.782 3.782 3.833 -0.051 19860 6947 1 16 . 1 1 61 61 LYS C C 61 179.444 179.444 178.724 0.720 19860 6948 1 16 . 1 1 61 61 LYS CA C 61 61.060 61.060 60.214 0.847 19860 6949 1 16 . 1 1 61 61 LYS CB C 61 32.196 32.196 31.799 0.397 19860 6950 1 16 . 1 1 61 61 LYS H H 61 8.043 8.043 7.811 0.232 19860 6951 1 16 . 1 1 62 62 ASP N N 62 119.231 119.231 119.884 -0.653 19860 6952 1 16 . 1 1 62 62 ASP HA H 62 4.427 4.427 4.326 0.101 19860 6953 1 16 . 1 1 62 62 ASP C C 62 178.420 178.420 178.307 0.113 19860 6954 1 16 . 1 1 62 62 ASP CA C 62 57.851 57.851 57.609 0.242 19860 6955 1 16 . 1 1 62 62 ASP CB C 62 40.780 40.780 40.778 0.002 19860 6956 1 16 . 1 1 62 62 ASP H H 62 8.766 8.766 8.229 0.537 19860 6957 1 16 . 1 1 63 63 LYS N N 63 119.623 119.623 119.366 0.257 19860 6958 1 16 . 1 1 63 63 LYS HA H 63 4.025 4.025 4.033 -0.008 19860 6959 1 16 . 1 1 63 63 LYS C C 63 178.866 178.866 178.990 -0.124 19860 6960 1 16 . 1 1 63 63 LYS CA C 63 59.667 59.667 58.487 1.180 19860 6961 1 16 . 1 1 63 63 LYS CB C 63 32.929 32.929 32.065 0.864 19860 6962 1 16 . 1 1 63 63 LYS H H 63 7.391 7.391 7.666 -0.275 19860 6963 1 16 . 1 1 64 64 LEU N N 64 118.806 118.806 118.956 -0.150 19860 6964 1 16 . 1 1 64 64 LEU HA H 64 4.216 4.216 3.726 0.490 19860 6965 1 16 . 1 1 64 64 LEU C C 64 178.793 178.793 178.642 0.151 19860 6966 1 16 . 1 1 64 64 LEU CA C 64 58.011 58.011 57.813 0.198 19860 6967 1 16 . 1 1 64 64 LEU CB C 64 42.251 42.251 41.040 1.211 19860 6968 1 16 . 1 1 64 64 LEU H H 64 8.357 8.357 8.388 -0.031 19860 6969 1 16 . 1 1 65 65 THR N N 65 115.102 115.102 114.853 0.249 19860 6970 1 16 . 1 1 65 65 THR HA H 65 3.920 3.920 3.661 0.259 19860 6971 1 16 . 1 1 65 65 THR C C 65 176.410 176.410 176.106 0.304 19860 6972 1 16 . 1 1 65 65 THR CA C 65 66.705 66.705 66.721 -0.016 19860 6973 1 16 . 1 1 65 65 THR CB C 65 68.876 68.876 68.655 0.221 19860 6974 1 16 . 1 1 65 65 THR H H 65 8.343 8.343 7.999 0.344 19860 6975 1 16 . 1 1 66 66 ARG N N 66 119.405 119.405 119.258 0.147 19860 6976 1 16 . 1 1 66 66 ARG HA H 66 4.067 4.067 4.046 0.021 19860 6977 1 16 . 1 1 66 66 ARG C C 66 177.988 177.988 177.654 0.334 19860 6978 1 16 . 1 1 66 66 ARG CA C 66 58.961 58.961 58.736 0.225 19860 6979 1 16 . 1 1 66 66 ARG CB C 66 30.302 30.302 30.294 0.008 19860 6980 1 16 . 1 1 66 66 ARG H H 66 7.832 7.832 7.828 0.004 19860 6981 1 16 . 1 1 67 67 PHE N N 67 117.304 117.304 119.369 -2.065 19860 6982 1 16 . 1 1 67 67 PHE HA H 67 4.323 4.323 4.336 -0.013 19860 6983 1 16 . 1 1 67 67 PHE C C 67 177.141 177.141 176.222 0.919 19860 6984 1 16 . 1 1 67 67 PHE CA C 67 59.989 59.989 60.898 -0.909 19860 6985 1 16 . 1 1 67 67 PHE CB C 67 39.269 39.269 40.160 -0.891 19860 6986 1 16 . 1 1 67 67 PHE H H 67 8.190 8.190 7.870 0.320 19860 6987 1 16 . 1 1 68 68 PHE N N 68 114.297 114.297 112.849 1.448 19860 6988 1 16 . 1 1 68 68 PHE HA H 68 4.696 4.696 4.833 -0.137 19860 6989 1 16 . 1 1 68 68 PHE C C 68 175.969 175.969 176.031 -0.062 19860 6990 1 16 . 1 1 68 68 PHE CA C 68 59.112 59.112 57.981 1.131 19860 6991 1 16 . 1 1 68 68 PHE CB C 68 40.100 40.100 39.472 0.628 19860 6992 1 16 . 1 1 68 68 PHE H H 68 8.087 8.087 7.774 0.313 19860 6993 1 16 . 1 1 69 69 LEU N N 69 119.594 119.594 122.013 -2.419 19860 6994 1 16 . 1 1 69 69 LEU HA H 69 4.476 4.476 4.486 -0.010 19860 6995 1 16 . 1 1 69 69 LEU C C 69 177.425 177.425 177.054 0.371 19860 6996 1 16 . 1 1 69 69 LEU CA C 69 55.805 55.805 55.068 0.737 19860 6997 1 16 . 1 1 69 69 LEU CB C 69 41.399 41.399 41.700 -0.301 19860 6998 1 16 . 1 1 69 69 LEU H H 69 7.823 7.823 7.401 0.422 19860 6999 1 16 . 1 1 70 70 LEU N N 70 119.723 119.723 115.078 4.645 19860 7000 1 16 . 1 1 70 70 LEU HA H 70 4.341 4.341 4.293 0.048 19860 7001 1 16 . 1 1 70 70 LEU C C 70 177.443 177.443 177.855 -0.412 19860 7002 1 16 . 1 1 70 70 LEU CA C 70 55.288 55.288 56.080 -0.791 19860 7003 1 16 . 1 1 70 70 LEU CB C 70 42.205 42.205 41.189 1.016 19860 7004 1 16 . 1 1 70 70 LEU H H 70 7.905 7.905 7.265 0.640 19860 7005 1 16 . 1 1 71 71 GLU N N 71 120.533 120.533 118.524 2.009 19860 7006 1 16 . 1 1 71 71 GLU HA H 71 4.200 4.200 4.337 -0.137 19860 7007 1 16 . 1 1 71 71 GLU C C 71 176.250 176.250 175.860 0.390 19860 7008 1 16 . 1 1 71 71 GLU CA C 71 56.609 56.609 55.676 0.933 19860 7009 1 16 . 1 1 71 71 GLU CB C 71 30.475 30.475 27.859 2.616 19860 7010 1 16 . 1 1 71 71 GLU H H 71 8.244 8.244 7.591 0.653 19860 7011 1 16 . 1 1 72 72 HIS N N 72 119.783 119.783 121.224 -1.441 19860 7012 1 16 . 1 1 72 72 HIS HA H 72 4.623 4.623 4.512 0.111 19860 7013 1 16 . 1 1 72 72 HIS C C 72 174.645 174.645 174.937 -0.292 19860 7014 1 16 . 1 1 72 72 HIS CA C 72 55.737 55.737 56.541 -0.804 19860 7015 1 16 . 1 1 72 72 HIS CB C 72 29.901 29.901 31.599 -1.698 19860 7016 1 16 . 1 1 72 72 HIS H H 72 8.403 8.403 7.620 0.783 19860 7017 1 16 . 1 1 73 73 HIS N N 73 120.199 120.199 118.886 1.313 19860 7018 1 16 . 1 1 73 73 HIS HA H 73 4.625 4.625 4.417 0.208 19860 7019 1 16 . 1 1 73 73 HIS C C 73 174.552 174.552 174.821 -0.269 19860 7020 1 16 . 1 1 73 73 HIS CA C 73 55.754 55.754 55.151 0.603 19860 7021 1 16 . 1 1 73 73 HIS CB C 73 29.976 29.976 29.404 0.572 19860 7022 1 16 . 1 1 73 73 HIS H H 73 8.539 8.539 7.903 0.636 19860 7023 1 16 . 1 1 74 74 HIS N N 74 120.457 120.457 123.038 -2.581 19860 7024 1 16 . 1 1 74 74 HIS HA H 74 4.655 4.655 4.716 -0.061 19860 7025 1 16 . 1 1 74 74 HIS C C 74 174.638 174.638 175.550 -0.912 19860 7026 1 16 . 1 1 74 74 HIS CA C 74 55.771 55.771 56.402 -0.631 19860 7027 1 16 . 1 1 74 74 HIS CB C 74 29.916 29.916 30.288 -0.372 19860 7028 1 16 . 1 1 74 74 HIS H H 74 8.681 8.681 8.548 0.133 19860 7029 1 16 . 1 1 75 75 HIS N N 75 120.782 120.782 119.556 1.226 19860 7030 1 16 . 1 1 75 75 HIS HA H 75 4.671 4.671 4.826 -0.155 19860 7031 1 16 . 1 1 75 75 HIS C C 75 174.525 174.525 173.791 0.734 19860 7032 1 16 . 1 1 75 75 HIS CA C 75 55.758 55.758 55.906 -0.148 19860 7033 1 16 . 1 1 75 75 HIS CB C 75 29.934 29.934 30.740 -0.806 19860 7034 1 16 . 1 1 75 75 HIS H H 75 8.755 8.755 8.647 0.108 19860 7035 1 16 . 1 1 76 76 HIS N N 76 120.737 120.737 123.652 -2.915 19860 7036 1 16 . 1 1 76 76 HIS HA H 76 4.666 4.666 4.651 0.015 19860 7037 1 16 . 1 1 76 76 HIS C C 76 173.873 173.873 174.233 -0.360 19860 7038 1 16 . 1 1 76 76 HIS CA C 76 55.921 55.921 55.581 0.340 19860 7039 1 16 . 1 1 76 76 HIS CB C 76 29.848 29.848 30.078 -0.230 19860 7040 1 16 . 1 1 76 76 HIS H H 76 8.693 8.693 8.825 -0.132 19860 7041 1 17 . 1 1 2 2 LEU HA H 2 4.435 4.435 4.172 0.263 19860 7042 1 17 . 1 1 2 2 LEU C C 2 176.773 176.773 175.799 0.974 19860 7043 1 17 . 1 1 2 2 LEU CA C 2 55.299 55.299 55.197 0.102 19860 7044 1 17 . 1 1 2 2 LEU CB C 2 42.529 42.529 41.505 1.024 19860 7045 1 17 . 1 1 3 3 LYS N N 3 123.220 123.220 122.733 0.487 19860 7046 1 17 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.280 0.045 19860 7047 1 17 . 1 1 3 3 LYS C C 3 176.224 176.224 177.000 -0.776 19860 7048 1 17 . 1 1 3 3 LYS CA C 3 56.344 56.344 56.053 0.291 19860 7049 1 17 . 1 1 3 3 LYS CB C 3 33.335 33.335 33.568 -0.233 19860 7050 1 17 . 1 1 3 3 LYS H H 3 8.520 8.520 8.116 0.404 19860 7051 1 17 . 1 1 4 4 HIS N N 4 119.727 119.727 115.996 3.731 19860 7052 1 17 . 1 1 4 4 HIS HA H 4 4.721 4.721 4.246 0.475 19860 7053 1 17 . 1 1 4 4 HIS C C 4 175.318 175.318 173.395 1.923 19860 7054 1 17 . 1 1 4 4 HIS CA C 4 55.941 55.941 56.211 -0.270 19860 7055 1 17 . 1 1 4 4 HIS CB C 4 30.636 30.636 28.542 2.094 19860 7056 1 17 . 1 1 4 4 HIS H H 4 8.486 8.486 8.321 0.165 19860 7057 1 17 . 1 1 5 5 GLY N N 5 110.318 110.318 103.763 6.555 19860 7058 1 17 . 1 1 5 5 GLY C C 5 172.966 172.966 171.815 1.151 19860 7059 1 17 . 1 1 5 5 GLY CA C 5 45.146 45.146 45.023 0.123 19860 7060 1 17 . 1 1 5 5 GLY H H 5 8.602 8.602 7.841 0.761 19860 7061 1 17 . 1 1 6 6 LYS N N 6 120.808 120.808 122.965 -2.157 19860 7062 1 17 . 1 1 6 6 LYS HA H 6 4.438 4.438 4.863 -0.425 19860 7063 1 17 . 1 1 6 6 LYS C C 6 175.168 175.168 174.235 0.933 19860 7064 1 17 . 1 1 6 6 LYS CA C 6 56.179 56.179 53.245 2.934 19860 7065 1 17 . 1 1 6 6 LYS CB C 6 34.277 34.277 36.188 -1.911 19860 7066 1 17 . 1 1 6 6 LYS H H 6 8.275 8.275 8.113 0.162 19860 7067 1 17 . 1 1 7 7 TYR N N 7 118.666 118.666 119.858 -1.192 19860 7068 1 17 . 1 1 7 7 TYR HA H 7 5.513 5.513 5.537 -0.024 19860 7069 1 17 . 1 1 7 7 TYR C C 7 176.004 176.004 176.127 -0.123 19860 7070 1 17 . 1 1 7 7 TYR CA C 7 56.971 56.971 57.874 -0.903 19860 7071 1 17 . 1 1 7 7 TYR CB C 7 41.032 41.032 39.493 1.539 19860 7072 1 17 . 1 1 7 7 TYR H H 7 8.351 8.351 8.520 -0.169 19860 7073 1 17 . 1 1 8 8 VAL N N 8 115.920 115.920 118.266 -2.346 19860 7074 1 17 . 1 1 8 8 VAL HA H 8 4.860 4.860 4.675 0.185 19860 7075 1 17 . 1 1 8 8 VAL C C 8 173.220 173.220 173.434 -0.214 19860 7076 1 17 . 1 1 8 8 VAL CA C 8 59.694 59.694 59.796 -0.102 19860 7077 1 17 . 1 1 8 8 VAL CB C 8 35.246 35.246 35.081 0.165 19860 7078 1 17 . 1 1 8 8 VAL H H 8 9.057 9.057 9.119 -0.062 19860 7079 1 17 . 1 1 9 9 TYR N N 9 118.786 118.786 117.702 1.084 19860 7080 1 17 . 1 1 9 9 TYR HA H 9 5.515 5.515 5.662 -0.147 19860 7081 1 17 . 1 1 9 9 TYR C C 9 175.072 175.072 175.975 -0.903 19860 7082 1 17 . 1 1 9 9 TYR CA C 9 56.576 56.576 56.001 0.575 19860 7083 1 17 . 1 1 9 9 TYR CB C 9 41.532 41.532 42.297 -0.765 19860 7084 1 17 . 1 1 9 9 TYR H H 9 9.117 9.117 9.113 0.004 19860 7085 1 17 . 1 1 10 10 ILE N N 10 121.376 121.376 122.211 -0.835 19860 7086 1 17 . 1 1 10 10 ILE HA H 10 4.887 4.887 4.821 0.066 19860 7087 1 17 . 1 1 10 10 ILE C C 10 176.044 176.044 176.316 -0.272 19860 7088 1 17 . 1 1 10 10 ILE CA C 10 58.948 58.948 58.429 0.519 19860 7089 1 17 . 1 1 10 10 ILE CB C 10 38.537 38.537 37.732 0.805 19860 7090 1 17 . 1 1 10 10 ILE H H 10 9.514 9.514 9.135 0.379 19860 7091 1 17 . 1 1 11 11 ASP N N 11 126.501 126.501 128.552 -2.051 19860 7092 1 17 . 1 1 11 11 ASP HA H 11 4.390 4.390 4.210 0.180 19860 7093 1 17 . 1 1 11 11 ASP C C 11 175.850 175.850 176.471 -0.621 19860 7094 1 17 . 1 1 11 11 ASP CA C 11 53.377 53.377 53.633 -0.256 19860 7095 1 17 . 1 1 11 11 ASP CB C 11 41.808 41.808 40.079 1.729 19860 7096 1 17 . 1 1 11 11 ASP H H 11 8.676 8.676 8.730 -0.054 19860 7097 1 17 . 1 1 12 12 LEU N N 12 127.505 127.505 123.935 3.570 19860 7098 1 17 . 1 1 12 12 LEU HA H 12 4.319 4.319 4.044 0.275 19860 7099 1 17 . 1 1 12 12 LEU C C 12 176.132 176.132 177.341 -1.209 19860 7100 1 17 . 1 1 12 12 LEU CA C 12 55.439 55.439 56.107 -0.668 19860 7101 1 17 . 1 1 12 12 LEU CB C 12 40.312 40.312 41.744 -1.432 19860 7102 1 17 . 1 1 12 12 LEU H H 12 7.692 7.692 7.768 -0.076 19860 7103 1 17 . 1 1 13 13 ASN N N 13 114.351 114.351 113.492 0.859 19860 7104 1 17 . 1 1 13 13 ASN HA H 13 4.391 4.391 4.341 0.050 19860 7105 1 17 . 1 1 13 13 ASN C C 13 174.440 174.440 174.713 -0.273 19860 7106 1 17 . 1 1 13 13 ASN CA C 13 54.482 54.482 54.394 0.088 19860 7107 1 17 . 1 1 13 13 ASN CB C 13 37.861 37.861 38.444 -0.583 19860 7108 1 17 . 1 1 13 13 ASN H H 13 9.187 9.187 7.609 1.578 19860 7109 1 17 . 1 1 14 14 ASN N N 14 115.057 115.057 117.483 -2.426 19860 7110 1 17 . 1 1 14 14 ASN HA H 14 4.779 4.779 4.856 -0.077 19860 7111 1 17 . 1 1 14 14 ASN C C 14 176.213 176.213 175.998 0.215 19860 7112 1 17 . 1 1 14 14 ASN CA C 14 52.149 52.149 53.000 -0.851 19860 7113 1 17 . 1 1 14 14 ASN CB C 14 38.727 38.727 38.476 0.251 19860 7114 1 17 . 1 1 14 14 ASN H H 14 7.737 7.737 8.148 -0.411 19860 7115 1 17 . 1 1 15 15 GLY N N 15 110.453 110.453 107.801 2.652 19860 7116 1 17 . 1 1 15 15 GLY C C 15 172.968 172.968 173.224 -0.256 19860 7117 1 17 . 1 1 15 15 GLY CA C 15 45.136 45.136 45.119 0.017 19860 7118 1 17 . 1 1 15 15 GLY H H 15 8.744 8.744 8.360 0.384 19860 7119 1 17 . 1 1 16 16 LYS N N 16 116.557 116.557 118.535 -1.978 19860 7120 1 17 . 1 1 16 16 LYS HA H 16 4.992 4.992 5.156 -0.164 19860 7121 1 17 . 1 1 16 16 LYS C C 16 175.214 175.214 174.029 1.185 19860 7122 1 17 . 1 1 16 16 LYS CA C 16 54.653 54.653 54.493 0.160 19860 7123 1 17 . 1 1 16 16 LYS CB C 16 35.359 35.359 35.573 -0.214 19860 7124 1 17 . 1 1 16 16 LYS H H 16 7.559 7.559 7.569 -0.010 19860 7125 1 17 . 1 1 17 17 TYR N N 17 117.020 117.020 117.011 0.009 19860 7126 1 17 . 1 1 17 17 TYR HA H 17 5.551 5.551 4.941 0.610 19860 7127 1 17 . 1 1 17 17 TYR C C 17 175.491 175.491 174.424 1.067 19860 7128 1 17 . 1 1 17 17 TYR CA C 17 56.255 56.255 57.282 -1.027 19860 7129 1 17 . 1 1 17 17 TYR CB C 17 42.270 42.270 42.620 -0.350 19860 7130 1 17 . 1 1 17 17 TYR H H 17 8.577 8.577 9.190 -0.613 19860 7131 1 17 . 1 1 18 18 VAL N N 18 121.032 121.032 122.206 -1.174 19860 7132 1 17 . 1 1 18 18 VAL HA H 18 5.027 5.027 4.700 0.327 19860 7133 1 17 . 1 1 18 18 VAL C C 18 174.046 174.046 174.294 -0.248 19860 7134 1 17 . 1 1 18 18 VAL CA C 18 59.711 59.711 60.281 -0.570 19860 7135 1 17 . 1 1 18 18 VAL CB C 18 35.076 35.076 34.591 0.485 19860 7136 1 17 . 1 1 18 18 VAL H H 18 8.829 8.829 8.534 0.295 19860 7137 1 17 . 1 1 19 19 LYS N N 19 130.251 130.251 129.968 0.283 19860 7138 1 17 . 1 1 19 19 LYS HA H 19 4.055 4.055 4.613 -0.558 19860 7139 1 17 . 1 1 19 19 LYS C C 19 175.628 175.628 175.092 0.536 19860 7140 1 17 . 1 1 19 19 LYS CA C 19 56.975 56.975 55.166 1.809 19860 7141 1 17 . 1 1 19 19 LYS CB C 19 33.380 33.380 32.973 0.407 19860 7142 1 17 . 1 1 19 19 LYS H H 19 8.388 8.388 8.544 -0.156 19860 7143 1 17 . 1 1 20 20 VAL N N 20 127.530 127.530 125.543 1.987 19860 7144 1 17 . 1 1 20 20 VAL HA H 20 4.946 4.946 4.419 0.527 19860 7145 1 17 . 1 1 20 20 VAL C C 20 173.581 173.581 174.116 -0.535 19860 7146 1 17 . 1 1 20 20 VAL CA C 20 60.483 60.483 59.064 1.419 19860 7147 1 17 . 1 1 20 20 VAL CB C 20 35.665 35.665 35.953 -0.288 19860 7148 1 17 . 1 1 20 20 VAL H H 20 9.428 9.428 9.016 0.412 19860 7149 1 17 . 1 1 21 21 ARG N N 21 125.804 125.804 128.146 -2.342 19860 7150 1 17 . 1 1 21 21 ARG HA H 21 4.716 4.716 4.513 0.203 19860 7151 1 17 . 1 1 21 21 ARG C C 21 174.905 174.905 175.372 -0.467 19860 7152 1 17 . 1 1 21 21 ARG CA C 21 54.864 54.864 55.205 -0.341 19860 7153 1 17 . 1 1 21 21 ARG CB C 21 32.881 32.881 30.591 2.290 19860 7154 1 17 . 1 1 21 21 ARG H H 21 9.084 9.084 8.660 0.424 19860 7155 1 17 . 1 1 22 22 ILE N N 22 124.167 124.167 127.642 -3.475 19860 7156 1 17 . 1 1 22 22 ILE HA H 22 4.624 4.624 4.308 0.316 19860 7157 1 17 . 1 1 22 22 ILE C C 22 175.887 175.887 174.583 1.304 19860 7158 1 17 . 1 1 22 22 ILE CA C 22 59.717 59.717 59.073 0.644 19860 7159 1 17 . 1 1 22 22 ILE CB C 22 38.699 38.699 36.663 2.036 19860 7160 1 17 . 1 1 22 22 ILE H H 22 8.554 8.554 9.000 -0.446 19860 7161 1 17 . 1 1 23 23 LEU N N 23 128.981 128.981 130.520 -1.539 19860 7162 1 17 . 1 1 23 23 LEU HA H 23 4.663 4.663 4.820 -0.157 19860 7163 1 17 . 1 1 23 23 LEU C C 23 176.174 176.174 176.157 0.017 19860 7164 1 17 . 1 1 23 23 LEU CA C 23 53.897 53.897 54.195 -0.298 19860 7165 1 17 . 1 1 23 23 LEU CB C 23 43.556 43.556 41.365 2.191 19860 7166 1 17 . 1 1 23 23 LEU H H 23 8.835 8.835 8.532 0.303 19860 7167 1 17 . 1 1 24 24 LYS N N 24 122.797 122.797 126.344 -3.547 19860 7168 1 17 . 1 1 24 24 LYS HA H 24 4.568 4.568 4.469 0.099 19860 7169 1 17 . 1 1 24 24 LYS C C 24 176.407 176.407 175.472 0.935 19860 7170 1 17 . 1 1 24 24 LYS CA C 24 55.808 55.808 55.643 0.165 19860 7171 1 17 . 1 1 24 24 LYS CB C 24 34.082 34.082 33.359 0.723 19860 7172 1 17 . 1 1 24 24 LYS H H 24 8.566 8.566 8.794 -0.228 19860 7173 1 17 . 1 1 25 25 SER N N 25 118.453 118.453 122.025 -3.572 19860 7174 1 17 . 1 1 25 25 SER HA H 25 4.477 4.477 4.593 -0.116 19860 7175 1 17 . 1 1 25 25 SER C C 25 175.038 175.038 174.017 1.021 19860 7176 1 17 . 1 1 25 25 SER CA C 25 58.146 58.146 57.038 1.108 19860 7177 1 17 . 1 1 25 25 SER CB C 25 63.977 63.977 62.949 1.028 19860 7178 1 17 . 1 1 25 25 SER H H 25 8.668 8.668 8.679 -0.011 19860 7179 1 17 . 1 1 26 26 ARG N N 26 123.008 123.008 125.858 -2.850 19860 7180 1 17 . 1 1 26 26 ARG HA H 26 4.284 4.284 4.367 -0.083 19860 7181 1 17 . 1 1 26 26 ARG C C 26 176.640 176.640 176.271 0.369 19860 7182 1 17 . 1 1 26 26 ARG CA C 26 57.171 57.171 57.863 -0.692 19860 7183 1 17 . 1 1 26 26 ARG CB C 26 30.748 30.748 30.498 0.250 19860 7184 1 17 . 1 1 26 26 ARG H H 26 8.667 8.667 8.196 0.471 19860 7185 1 17 . 1 1 27 27 ASP N N 27 118.281 118.281 117.933 0.348 19860 7186 1 17 . 1 1 27 27 ASP HA H 27 4.598 4.598 4.381 0.217 19860 7187 1 17 . 1 1 27 27 ASP C C 27 176.028 176.028 176.642 -0.614 19860 7188 1 17 . 1 1 27 27 ASP CA C 27 54.657 54.657 56.688 -2.031 19860 7189 1 17 . 1 1 27 27 ASP CB C 27 41.416 41.416 40.473 0.943 19860 7190 1 17 . 1 1 27 27 ASP H H 27 8.246 8.246 8.192 0.054 19860 7191 1 17 . 1 1 28 28 ASP N N 28 118.646 118.646 117.782 0.864 19860 7192 1 17 . 1 1 28 28 ASP HA H 28 4.563 4.563 4.575 -0.012 19860 7193 1 17 . 1 1 28 28 ASP C C 28 176.165 176.165 176.367 -0.202 19860 7194 1 17 . 1 1 28 28 ASP CA C 28 54.822 54.822 55.053 -0.231 19860 7195 1 17 . 1 1 28 28 ASP CB C 28 41.150 41.150 42.083 -0.933 19860 7196 1 17 . 1 1 28 28 ASP H H 28 8.034 8.034 7.932 0.102 19860 7197 1 17 . 1 1 29 29 ASN N N 29 117.519 117.519 114.861 2.658 19860 7198 1 17 . 1 1 29 29 ASN HA H 29 4.734 4.734 4.687 0.047 19860 7199 1 17 . 1 1 29 29 ASN C C 29 175.116 175.116 173.521 1.595 19860 7200 1 17 . 1 1 29 29 ASN CA C 29 53.951 53.951 54.075 -0.124 19860 7201 1 17 . 1 1 29 29 ASN CB C 29 38.779 38.779 39.790 -1.011 19860 7202 1 17 . 1 1 29 29 ASN H H 29 8.473 8.473 7.817 0.656 19860 7203 1 17 . 1 1 30 30 SER N N 30 114.910 114.910 115.648 -0.738 19860 7204 1 17 . 1 1 30 30 SER HA H 30 4.493 4.493 4.674 -0.181 19860 7205 1 17 . 1 1 30 30 SER C C 30 174.235 174.235 173.270 0.965 19860 7206 1 17 . 1 1 30 30 SER CA C 30 58.669 58.669 58.720 -0.051 19860 7207 1 17 . 1 1 30 30 SER CB C 30 64.403 64.403 63.783 0.620 19860 7208 1 17 . 1 1 30 30 SER H H 30 8.206 8.206 8.115 0.091 19860 7209 1 17 . 1 1 31 31 VAL N N 31 121.640 121.640 125.948 -4.308 19860 7210 1 17 . 1 1 31 31 VAL HA H 31 4.090 4.090 4.166 -0.076 19860 7211 1 17 . 1 1 31 31 VAL C C 31 175.873 175.873 174.588 1.285 19860 7212 1 17 . 1 1 31 31 VAL CA C 31 62.939 62.939 62.027 0.912 19860 7213 1 17 . 1 1 31 31 VAL CB C 31 32.878 32.878 32.184 0.695 19860 7214 1 17 . 1 1 31 31 VAL H H 31 8.242 8.242 8.647 -0.405 19860 7215 1 17 . 1 1 32 32 GLU N N 32 125.144 125.144 127.056 -1.912 19860 7216 1 17 . 1 1 32 32 GLU HA H 32 4.417 4.417 4.992 -0.575 19860 7217 1 17 . 1 1 32 32 GLU C C 32 175.532 175.532 175.576 -0.044 19860 7218 1 17 . 1 1 32 32 GLU CA C 32 56.886 56.886 54.687 2.199 19860 7219 1 17 . 1 1 32 32 GLU CB C 32 31.059 31.059 30.275 0.784 19860 7220 1 17 . 1 1 32 32 GLU H H 32 8.679 8.679 8.418 0.261 19860 7221 1 17 . 1 1 33 33 LYS N N 33 120.222 120.222 125.440 -5.218 19860 7222 1 17 . 1 1 33 33 LYS HA H 33 4.574 4.574 4.428 0.146 19860 7223 1 17 . 1 1 33 33 LYS C C 33 174.194 174.194 175.433 -1.239 19860 7224 1 17 . 1 1 33 33 LYS CA C 33 55.324 55.324 54.282 1.042 19860 7225 1 17 . 1 1 33 33 LYS CB C 33 35.258 35.258 32.644 2.614 19860 7226 1 17 . 1 1 33 33 LYS H H 33 8.229 8.229 8.169 0.060 19860 7227 1 17 . 1 1 34 34 TYR N N 34 121.014 121.014 123.589 -2.575 19860 7228 1 17 . 1 1 34 34 TYR HA H 34 4.910 4.910 4.707 0.203 19860 7229 1 17 . 1 1 34 34 TYR C C 34 175.667 175.667 176.778 -1.111 19860 7230 1 17 . 1 1 34 34 TYR CA C 34 56.984 56.984 58.336 -1.352 19860 7231 1 17 . 1 1 34 34 TYR CB C 34 40.036 40.036 38.825 1.210 19860 7232 1 17 . 1 1 34 34 TYR H H 34 8.552 8.552 7.864 0.688 19860 7233 1 17 . 1 1 35 35 VAL N N 35 124.624 124.624 122.162 2.462 19860 7234 1 17 . 1 1 35 35 VAL HA H 35 4.301 4.301 3.949 0.352 19860 7235 1 17 . 1 1 35 35 VAL C C 35 175.490 175.490 176.312 -0.822 19860 7236 1 17 . 1 1 35 35 VAL CA C 35 61.869 61.869 63.272 -1.403 19860 7237 1 17 . 1 1 35 35 VAL CB C 35 33.510 33.510 33.119 0.391 19860 7238 1 17 . 1 1 35 35 VAL H H 35 9.337 9.337 8.356 0.981 19860 7239 1 17 . 1 1 36 36 LEU N N 36 127.814 127.814 126.789 1.025 19860 7240 1 17 . 1 1 36 36 LEU HA H 36 4.326 4.326 4.467 -0.141 19860 7241 1 17 . 1 1 36 36 LEU C C 36 177.355 177.355 177.145 0.210 19860 7242 1 17 . 1 1 36 36 LEU CA C 36 56.612 56.612 55.370 1.242 19860 7243 1 17 . 1 1 36 36 LEU CB C 36 41.899 41.899 40.427 1.472 19860 7244 1 17 . 1 1 36 36 LEU H H 36 8.845 8.845 8.429 0.416 19860 7245 1 17 . 1 1 37 37 THR N N 37 112.016 112.016 114.546 -2.530 19860 7246 1 17 . 1 1 37 37 THR HA H 37 4.904 4.904 4.352 0.552 19860 7247 1 17 . 1 1 37 37 THR C C 37 173.228 173.228 174.748 -1.520 19860 7248 1 17 . 1 1 37 37 THR CA C 37 61.023 61.023 61.888 -0.865 19860 7249 1 17 . 1 1 37 37 THR CB C 37 70.829 70.829 69.779 1.050 19860 7250 1 17 . 1 1 37 37 THR H H 37 7.374 7.374 7.588 -0.214 19860 7251 1 17 . 1 1 38 38 SER N N 38 111.049 111.049 118.981 -7.932 19860 7252 1 17 . 1 1 38 38 SER HA H 38 4.635 4.635 4.735 -0.100 19860 7253 1 17 . 1 1 38 38 SER C C 38 174.606 174.606 173.408 1.198 19860 7254 1 17 . 1 1 38 38 SER CA C 38 57.957 57.957 57.117 0.840 19860 7255 1 17 . 1 1 38 38 SER CB C 38 63.849 63.849 62.833 1.016 19860 7256 1 17 . 1 1 38 38 SER H H 38 8.387 8.387 8.164 0.223 19860 7257 1 17 . 1 1 39 39 HIS N N 39 122.230 122.230 124.957 -2.727 19860 7258 1 17 . 1 1 39 39 HIS HA H 39 4.768 4.768 4.302 0.466 19860 7259 1 17 . 1 1 39 39 HIS C C 39 173.143 173.143 173.561 -0.418 19860 7260 1 17 . 1 1 39 39 HIS CA C 39 56.328 56.328 57.147 -0.819 19860 7261 1 17 . 1 1 39 39 HIS CB C 39 29.938 29.938 29.166 0.772 19860 7262 1 17 . 1 1 39 39 HIS H H 39 8.424 8.424 7.343 1.081 19860 7263 1 17 . 1 1 40 40 VAL N N 40 126.582 126.582 121.927 4.655 19860 7264 1 17 . 1 1 40 40 VAL HA H 40 4.915 4.915 5.169 -0.254 19860 7265 1 17 . 1 1 40 40 VAL C C 40 175.763 175.763 175.301 0.462 19860 7266 1 17 . 1 1 40 40 VAL CA C 40 60.612 60.612 59.560 1.052 19860 7267 1 17 . 1 1 40 40 VAL CB C 40 34.085 34.085 34.502 -0.417 19860 7268 1 17 . 1 1 40 40 VAL H H 40 8.364 8.364 7.904 0.460 19860 7269 1 17 . 1 1 41 41 SER N N 41 121.067 121.067 118.903 2.164 19860 7270 1 17 . 1 1 41 41 SER HA H 41 4.947 4.947 4.859 0.088 19860 7271 1 17 . 1 1 41 41 SER C C 41 174.505 174.505 173.527 0.978 19860 7272 1 17 . 1 1 41 41 SER CA C 41 57.001 57.001 57.445 -0.444 19860 7273 1 17 . 1 1 41 41 SER CB C 41 65.504 65.504 66.184 -0.681 19860 7274 1 17 . 1 1 41 41 SER H H 41 9.297 9.297 9.076 0.221 19860 7275 1 17 . 1 1 42 42 LYS N N 42 123.812 123.812 122.188 1.624 19860 7276 1 17 . 1 1 42 42 LYS HA H 42 4.905 4.905 4.261 0.644 19860 7277 1 17 . 1 1 42 42 LYS C C 42 175.037 175.037 175.621 -0.584 19860 7278 1 17 . 1 1 42 42 LYS CA C 42 56.600 56.600 57.285 -0.685 19860 7279 1 17 . 1 1 42 42 LYS CB C 42 32.827 32.827 33.016 -0.189 19860 7280 1 17 . 1 1 42 42 LYS H H 42 8.962 8.962 8.511 0.451 19860 7281 1 17 . 1 1 43 43 ASN N N 43 115.779 115.779 117.796 -2.017 19860 7282 1 17 . 1 1 43 43 ASN HA H 43 4.906 4.906 4.735 0.171 19860 7283 1 17 . 1 1 43 43 ASN C C 43 173.479 173.479 175.038 -1.559 19860 7284 1 17 . 1 1 43 43 ASN CA C 43 51.840 51.840 52.637 -0.797 19860 7285 1 17 . 1 1 43 43 ASN CB C 43 40.763 40.763 39.085 1.678 19860 7286 1 17 . 1 1 43 43 ASN H H 43 8.053 8.053 8.039 0.014 19860 7287 1 17 . 1 1 44 44 ARG N N 44 124.471 124.471 123.921 0.550 19860 7288 1 17 . 1 1 44 44 ARG HA H 44 3.217 3.217 3.820 -0.603 19860 7289 1 17 . 1 1 44 44 ARG C C 44 173.869 173.869 174.015 -0.146 19860 7290 1 17 . 1 1 44 44 ARG CA C 44 54.034 54.034 54.270 -0.236 19860 7291 1 17 . 1 1 44 44 ARG CB C 44 29.917 29.917 29.121 0.796 19860 7292 1 17 . 1 1 44 44 ARG H H 44 8.565 8.565 8.332 0.233 19860 7293 1 17 . 1 1 45 45 PRO HA H 45 4.123 4.123 4.241 -0.118 19860 7294 1 17 . 1 1 45 45 PRO C C 45 176.434 176.434 175.874 0.560 19860 7295 1 17 . 1 1 45 45 PRO CA C 45 62.292 62.292 62.178 0.114 19860 7296 1 17 . 1 1 45 45 PRO CB C 45 32.110 32.110 31.565 0.545 19860 7297 1 17 . 1 1 46 46 LYS N N 46 122.529 122.529 121.513 1.016 19860 7298 1 17 . 1 1 46 46 LYS HA H 46 4.110 4.110 4.234 -0.124 19860 7299 1 17 . 1 1 46 46 LYS C C 46 176.931 176.931 176.502 0.429 19860 7300 1 17 . 1 1 46 46 LYS CA C 46 57.000 57.000 57.169 -0.169 19860 7301 1 17 . 1 1 46 46 LYS CB C 46 33.095 33.095 33.038 0.057 19860 7302 1 17 . 1 1 46 46 LYS H H 46 8.470 8.470 8.414 0.056 19860 7303 1 17 . 1 1 47 47 ASN N N 47 117.122 117.122 119.262 -2.140 19860 7304 1 17 . 1 1 47 47 ASN HA H 47 4.589 4.589 4.804 -0.215 19860 7305 1 17 . 1 1 47 47 ASN C C 47 174.011 174.011 173.885 0.126 19860 7306 1 17 . 1 1 47 47 ASN CA C 47 53.493 53.493 53.190 0.303 19860 7307 1 17 . 1 1 47 47 ASN CB C 47 37.868 37.868 37.422 0.445 19860 7308 1 17 . 1 1 47 47 ASN H H 47 8.745 8.745 8.272 0.473 19860 7309 1 17 . 1 1 48 48 ALA N N 48 119.908 119.908 123.166 -3.258 19860 7310 1 17 . 1 1 48 48 ALA HA H 48 4.609 4.609 4.585 0.024 19860 7311 1 17 . 1 1 48 48 ALA C C 48 176.506 176.506 175.560 0.946 19860 7312 1 17 . 1 1 48 48 ALA CA C 48 51.136 51.136 51.767 -0.631 19860 7313 1 17 . 1 1 48 48 ALA CB C 48 22.389 22.389 21.701 0.688 19860 7314 1 17 . 1 1 48 48 ALA H H 48 7.394 7.394 7.578 -0.184 19860 7315 1 17 . 1 1 49 49 ILE N N 49 123.192 123.192 122.245 0.947 19860 7316 1 17 . 1 1 49 49 ILE HA H 49 4.140 4.140 4.452 -0.312 19860 7317 1 17 . 1 1 49 49 ILE C C 49 174.731 174.731 175.389 -0.658 19860 7318 1 17 . 1 1 49 49 ILE CA C 49 61.597 61.597 60.142 1.455 19860 7319 1 17 . 1 1 49 49 ILE CB C 49 38.166 38.166 37.966 0.200 19860 7320 1 17 . 1 1 49 49 ILE H H 49 8.878 8.878 8.791 0.087 19860 7321 1 17 . 1 1 50 50 VAL N N 50 127.552 127.552 123.380 4.172 19860 7322 1 17 . 1 1 50 50 VAL HA H 50 5.289 5.289 5.589 -0.300 19860 7323 1 17 . 1 1 50 50 VAL C C 50 176.411 176.411 175.429 0.982 19860 7324 1 17 . 1 1 50 50 VAL CA C 50 60.499 60.499 59.667 0.832 19860 7325 1 17 . 1 1 50 50 VAL CB C 50 33.890 33.890 34.196 -0.306 19860 7326 1 17 . 1 1 50 50 VAL H H 50 8.371 8.371 8.315 0.056 19860 7327 1 17 . 1 1 51 51 ILE N N 51 126.906 126.906 125.931 0.975 19860 7328 1 17 . 1 1 51 51 ILE HA H 51 4.691 4.691 4.604 0.087 19860 7329 1 17 . 1 1 51 51 ILE C C 51 175.322 175.322 174.764 0.558 19860 7330 1 17 . 1 1 51 51 ILE CA C 51 59.439 59.439 60.271 -0.832 19860 7331 1 17 . 1 1 51 51 ILE CB C 51 41.189 41.189 41.524 -0.335 19860 7332 1 17 . 1 1 51 51 ILE H H 51 9.314 9.314 9.242 0.072 19860 7333 1 17 . 1 1 52 52 LYS N N 52 123.523 123.523 126.493 -2.970 19860 7334 1 17 . 1 1 52 52 LYS HA H 52 4.686 4.686 4.632 0.054 19860 7335 1 17 . 1 1 52 52 LYS C C 52 178.237 178.237 178.069 0.168 19860 7336 1 17 . 1 1 52 52 LYS CA C 52 56.120 56.120 55.880 0.240 19860 7337 1 17 . 1 1 52 52 LYS CB C 52 33.392 33.392 34.232 -0.840 19860 7338 1 17 . 1 1 52 52 LYS H H 52 8.737 8.737 8.526 0.211 19860 7339 1 17 . 1 1 53 53 MET N N 53 119.701 119.701 122.303 -2.602 19860 7340 1 17 . 1 1 53 53 MET HA H 53 3.908 3.908 4.075 -0.167 19860 7341 1 17 . 1 1 53 53 MET C C 53 177.401 177.401 178.144 -0.743 19860 7342 1 17 . 1 1 53 53 MET CA C 53 58.725 58.725 59.744 -1.019 19860 7343 1 17 . 1 1 53 53 MET CB C 53 33.383 33.383 32.315 1.068 19860 7344 1 17 . 1 1 53 53 MET H H 53 8.799 8.799 9.074 -0.275 19860 7345 1 17 . 1 1 54 54 ASP N N 54 113.357 113.357 118.999 -5.642 19860 7346 1 17 . 1 1 54 54 ASP HA H 54 4.288 4.288 4.334 -0.046 19860 7347 1 17 . 1 1 54 54 ASP C C 54 176.649 176.649 177.297 -0.648 19860 7348 1 17 . 1 1 54 54 ASP CA C 54 56.682 56.682 56.783 -0.102 19860 7349 1 17 . 1 1 54 54 ASP CB C 54 40.670 40.670 40.733 -0.063 19860 7350 1 17 . 1 1 54 54 ASP H H 54 8.262 8.262 8.614 -0.352 19860 7351 1 17 . 1 1 55 55 ASN N N 55 114.935 114.935 116.096 -1.161 19860 7352 1 17 . 1 1 55 55 ASN HA H 55 5.001 5.001 4.723 0.278 19860 7353 1 17 . 1 1 55 55 ASN C C 55 175.032 175.032 175.179 -0.147 19860 7354 1 17 . 1 1 55 55 ASN CA C 55 52.897 52.897 53.472 -0.575 19860 7355 1 17 . 1 1 55 55 ASN CB C 55 39.184 39.184 39.631 -0.447 19860 7356 1 17 . 1 1 55 55 ASN H H 55 7.971 7.971 7.826 0.145 19860 7357 1 17 . 1 1 56 56 LEU N N 56 120.385 120.385 123.065 -2.680 19860 7358 1 17 . 1 1 56 56 LEU HA H 56 4.488 4.488 4.460 0.028 19860 7359 1 17 . 1 1 56 56 LEU C C 56 174.131 174.131 174.734 -0.603 19860 7360 1 17 . 1 1 56 56 LEU CA C 56 52.912 52.912 51.795 1.117 19860 7361 1 17 . 1 1 56 56 LEU CB C 56 41.958 41.958 41.696 0.262 19860 7362 1 17 . 1 1 56 56 LEU H H 56 7.331 7.331 7.597 -0.266 19860 7363 1 17 . 1 1 57 57 PRO HA H 57 4.617 4.617 4.555 0.062 19860 7364 1 17 . 1 1 57 57 PRO C C 57 178.627 178.627 177.729 0.898 19860 7365 1 17 . 1 1 57 57 PRO CA C 57 62.751 62.751 62.607 0.144 19860 7366 1 17 . 1 1 57 57 PRO CB C 57 32.718 32.718 32.384 0.334 19860 7367 1 17 . 1 1 58 58 ILE N N 58 125.295 125.295 119.155 6.140 19860 7368 1 17 . 1 1 58 58 ILE HA H 58 3.783 3.783 3.744 0.039 19860 7369 1 17 . 1 1 58 58 ILE C C 58 176.776 176.776 177.636 -0.860 19860 7370 1 17 . 1 1 58 58 ILE CA C 58 64.583 64.583 64.044 0.539 19860 7371 1 17 . 1 1 58 58 ILE CB C 58 37.959 37.959 37.289 0.670 19860 7372 1 17 . 1 1 58 58 ILE H H 58 8.882 8.882 8.413 0.469 19860 7373 1 17 . 1 1 59 59 GLU N N 59 118.869 118.869 120.533 -1.664 19860 7374 1 17 . 1 1 59 59 GLU HA H 59 4.254 4.254 3.991 0.263 19860 7375 1 17 . 1 1 59 59 GLU C C 59 179.370 179.370 178.716 0.654 19860 7376 1 17 . 1 1 59 59 GLU CA C 59 59.757 59.757 59.506 0.251 19860 7377 1 17 . 1 1 59 59 GLU CB C 59 29.053 29.053 29.197 -0.144 19860 7378 1 17 . 1 1 59 59 GLU H H 59 9.348 9.348 8.512 0.836 19860 7379 1 17 . 1 1 60 60 VAL N N 60 118.990 118.990 119.522 -0.532 19860 7380 1 17 . 1 1 60 60 VAL HA H 60 3.772 3.772 3.722 0.050 19860 7381 1 17 . 1 1 60 60 VAL C C 60 177.451 177.451 177.955 -0.504 19860 7382 1 17 . 1 1 60 60 VAL CA C 60 65.331 65.331 65.794 -0.463 19860 7383 1 17 . 1 1 60 60 VAL CB C 60 31.869 31.869 31.168 0.701 19860 7384 1 17 . 1 1 60 60 VAL H H 60 7.290 7.290 7.551 -0.261 19860 7385 1 17 . 1 1 61 61 LYS N N 61 120.824 120.824 119.924 0.900 19860 7386 1 17 . 1 1 61 61 LYS HA H 61 3.782 3.782 3.913 -0.131 19860 7387 1 17 . 1 1 61 61 LYS C C 61 179.444 179.444 178.731 0.713 19860 7388 1 17 . 1 1 61 61 LYS CA C 61 61.060 61.060 60.136 0.924 19860 7389 1 17 . 1 1 61 61 LYS CB C 61 32.196 32.196 31.853 0.343 19860 7390 1 17 . 1 1 61 61 LYS H H 61 8.043 8.043 8.040 0.003 19860 7391 1 17 . 1 1 62 62 ASP N N 62 119.231 119.231 120.104 -0.873 19860 7392 1 17 . 1 1 62 62 ASP HA H 62 4.427 4.427 4.357 0.070 19860 7393 1 17 . 1 1 62 62 ASP C C 62 178.420 178.420 178.234 0.186 19860 7394 1 17 . 1 1 62 62 ASP CA C 62 57.851 57.851 57.421 0.430 19860 7395 1 17 . 1 1 62 62 ASP CB C 62 40.780 40.780 40.703 0.077 19860 7396 1 17 . 1 1 62 62 ASP H H 62 8.766 8.766 8.236 0.530 19860 7397 1 17 . 1 1 63 63 LYS N N 63 119.623 119.623 119.542 0.081 19860 7398 1 17 . 1 1 63 63 LYS HA H 63 4.025 4.025 4.028 -0.003 19860 7399 1 17 . 1 1 63 63 LYS C C 63 178.866 178.866 179.240 -0.374 19860 7400 1 17 . 1 1 63 63 LYS CA C 63 59.667 59.667 58.813 0.854 19860 7401 1 17 . 1 1 63 63 LYS CB C 63 32.929 32.929 32.150 0.779 19860 7402 1 17 . 1 1 63 63 LYS H H 63 7.391 7.391 7.505 -0.114 19860 7403 1 17 . 1 1 64 64 LEU N N 64 118.806 118.806 119.064 -0.258 19860 7404 1 17 . 1 1 64 64 LEU HA H 64 4.216 4.216 3.855 0.361 19860 7405 1 17 . 1 1 64 64 LEU C C 64 178.793 178.793 178.676 0.117 19860 7406 1 17 . 1 1 64 64 LEU CA C 64 58.011 58.011 57.842 0.169 19860 7407 1 17 . 1 1 64 64 LEU CB C 64 42.251 42.251 41.429 0.821 19860 7408 1 17 . 1 1 64 64 LEU H H 64 8.357 8.357 8.298 0.059 19860 7409 1 17 . 1 1 65 65 THR N N 65 115.102 115.102 114.851 0.251 19860 7410 1 17 . 1 1 65 65 THR HA H 65 3.920 3.920 3.633 0.287 19860 7411 1 17 . 1 1 65 65 THR C C 65 176.410 176.410 176.524 -0.114 19860 7412 1 17 . 1 1 65 65 THR CA C 65 66.705 66.705 67.126 -0.421 19860 7413 1 17 . 1 1 65 65 THR CB C 65 68.876 68.876 68.465 0.411 19860 7414 1 17 . 1 1 65 65 THR H H 65 8.343 8.343 8.136 0.207 19860 7415 1 17 . 1 1 66 66 ARG N N 66 119.405 119.405 119.838 -0.433 19860 7416 1 17 . 1 1 66 66 ARG HA H 66 4.067 4.067 4.081 -0.014 19860 7417 1 17 . 1 1 66 66 ARG C C 66 177.988 177.988 177.562 0.426 19860 7418 1 17 . 1 1 66 66 ARG CA C 66 58.961 58.961 58.628 0.333 19860 7419 1 17 . 1 1 66 66 ARG CB C 66 30.302 30.302 30.229 0.073 19860 7420 1 17 . 1 1 66 66 ARG H H 66 7.832 7.832 7.738 0.094 19860 7421 1 17 . 1 1 67 67 PHE N N 67 117.304 117.304 119.910 -2.606 19860 7422 1 17 . 1 1 67 67 PHE HA H 67 4.323 4.323 4.342 -0.019 19860 7423 1 17 . 1 1 67 67 PHE C C 67 177.141 177.141 176.068 1.073 19860 7424 1 17 . 1 1 67 67 PHE CA C 67 59.989 59.989 60.552 -0.563 19860 7425 1 17 . 1 1 67 67 PHE CB C 67 39.269 39.269 40.249 -0.980 19860 7426 1 17 . 1 1 67 67 PHE H H 67 8.190 8.190 7.558 0.632 19860 7427 1 17 . 1 1 68 68 PHE N N 68 114.297 114.297 111.933 2.364 19860 7428 1 17 . 1 1 68 68 PHE HA H 68 4.696 4.696 4.849 -0.153 19860 7429 1 17 . 1 1 68 68 PHE C C 68 175.969 175.969 174.525 1.444 19860 7430 1 17 . 1 1 68 68 PHE CA C 68 59.112 59.112 56.876 2.236 19860 7431 1 17 . 1 1 68 68 PHE CB C 68 40.100 40.100 39.308 0.792 19860 7432 1 17 . 1 1 68 68 PHE H H 68 8.087 8.087 7.489 0.598 19860 7433 1 17 . 1 1 69 69 LEU N N 69 119.594 119.594 122.164 -2.570 19860 7434 1 17 . 1 1 69 69 LEU HA H 69 4.476 4.476 4.753 -0.277 19860 7435 1 17 . 1 1 69 69 LEU C C 69 177.425 177.425 175.772 1.653 19860 7436 1 17 . 1 1 69 69 LEU CA C 69 55.805 55.805 55.327 0.478 19860 7437 1 17 . 1 1 69 69 LEU CB C 69 41.399 41.399 44.888 -3.489 19860 7438 1 17 . 1 1 69 69 LEU H H 69 7.823 7.823 7.576 0.247 19860 7439 1 17 . 1 1 70 70 LEU N N 70 119.723 119.723 118.532 1.191 19860 7440 1 17 . 1 1 70 70 LEU HA H 70 4.341 4.341 3.811 0.530 19860 7441 1 17 . 1 1 70 70 LEU C C 70 177.443 177.443 176.139 1.304 19860 7442 1 17 . 1 1 70 70 LEU CA C 70 55.288 55.288 55.579 -0.291 19860 7443 1 17 . 1 1 70 70 LEU CB C 70 42.205 42.205 40.119 2.086 19860 7444 1 17 . 1 1 70 70 LEU H H 70 7.905 7.905 8.538 -0.633 19860 7445 1 17 . 1 1 71 71 GLU N N 71 120.533 120.533 118.204 2.329 19860 7446 1 17 . 1 1 71 71 GLU HA H 71 4.200 4.200 3.714 0.486 19860 7447 1 17 . 1 1 71 71 GLU C C 71 176.250 176.250 175.290 0.960 19860 7448 1 17 . 1 1 71 71 GLU CA C 71 56.609 56.609 58.315 -1.706 19860 7449 1 17 . 1 1 71 71 GLU CB C 71 30.475 30.475 29.279 1.196 19860 7450 1 17 . 1 1 71 71 GLU H H 71 8.244 8.244 8.778 -0.534 19860 7451 1 17 . 1 1 72 72 HIS N N 72 119.783 119.783 115.154 4.629 19860 7452 1 17 . 1 1 72 72 HIS HA H 72 4.623 4.623 4.743 -0.120 19860 7453 1 17 . 1 1 72 72 HIS C C 72 174.645 174.645 173.694 0.951 19860 7454 1 17 . 1 1 72 72 HIS CA C 72 55.737 55.737 55.336 0.401 19860 7455 1 17 . 1 1 72 72 HIS CB C 72 29.901 29.901 31.991 -2.090 19860 7456 1 17 . 1 1 72 72 HIS H H 72 8.403 8.403 7.925 0.478 19860 7457 1 17 . 1 1 73 73 HIS N N 73 120.199 120.199 117.755 2.444 19860 7458 1 17 . 1 1 73 73 HIS HA H 73 4.625 4.625 4.793 -0.168 19860 7459 1 17 . 1 1 73 73 HIS C C 73 174.552 174.552 176.828 -2.276 19860 7460 1 17 . 1 1 73 73 HIS CA C 73 55.754 55.754 57.107 -1.353 19860 7461 1 17 . 1 1 73 73 HIS CB C 73 29.976 29.976 31.152 -1.176 19860 7462 1 17 . 1 1 73 73 HIS H H 73 8.539 8.539 8.536 0.003 19860 7463 1 17 . 1 1 74 74 HIS N N 74 120.457 120.457 115.668 4.789 19860 7464 1 17 . 1 1 74 74 HIS HA H 74 4.655 4.655 4.121 0.534 19860 7465 1 17 . 1 1 74 74 HIS C C 74 174.638 174.638 176.055 -1.417 19860 7466 1 17 . 1 1 74 74 HIS CA C 74 55.771 55.771 58.313 -2.542 19860 7467 1 17 . 1 1 74 74 HIS CB C 74 29.916 29.916 28.052 1.864 19860 7468 1 17 . 1 1 74 74 HIS H H 74 8.681 8.681 8.881 -0.200 19860 7469 1 17 . 1 1 75 75 HIS N N 75 120.782 120.782 117.198 3.584 19860 7470 1 17 . 1 1 75 75 HIS HA H 75 4.671 4.671 4.527 0.144 19860 7471 1 17 . 1 1 75 75 HIS C C 75 174.525 174.525 174.551 -0.026 19860 7472 1 17 . 1 1 75 75 HIS CA C 75 55.758 55.758 56.831 -1.073 19860 7473 1 17 . 1 1 75 75 HIS CB C 75 29.934 29.934 30.759 -0.825 19860 7474 1 17 . 1 1 75 75 HIS H H 75 8.755 8.755 8.134 0.621 19860 7475 1 17 . 1 1 76 76 HIS N N 76 120.737 120.737 117.433 3.304 19860 7476 1 17 . 1 1 76 76 HIS HA H 76 4.666 4.666 4.716 -0.050 19860 7477 1 17 . 1 1 76 76 HIS C C 76 173.873 173.873 173.196 0.677 19860 7478 1 17 . 1 1 76 76 HIS CA C 76 55.921 55.921 55.295 0.625 19860 7479 1 17 . 1 1 76 76 HIS CB C 76 29.848 29.848 31.832 -1.984 19860 7480 1 17 . 1 1 76 76 HIS H H 76 8.693 8.693 7.822 0.871 19860 7481 1 18 . 1 1 2 2 LEU HA H 2 4.435 4.435 3.895 0.540 19860 7482 1 18 . 1 1 2 2 LEU C C 2 176.773 176.773 176.185 0.588 19860 7483 1 18 . 1 1 2 2 LEU CA C 2 55.299 55.299 55.220 0.079 19860 7484 1 18 . 1 1 2 2 LEU CB C 2 42.529 42.529 41.708 0.821 19860 7485 1 18 . 1 1 3 3 LYS N N 3 123.220 123.220 117.939 5.281 19860 7486 1 18 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.242 0.083 19860 7487 1 18 . 1 1 3 3 LYS C C 3 176.224 176.224 177.130 -0.906 19860 7488 1 18 . 1 1 3 3 LYS CA C 3 56.344 56.344 57.432 -1.088 19860 7489 1 18 . 1 1 3 3 LYS CB C 3 33.335 33.335 32.867 0.468 19860 7490 1 18 . 1 1 3 3 LYS H H 3 8.520 8.520 8.323 0.197 19860 7491 1 18 . 1 1 4 4 HIS N N 4 119.727 119.727 114.227 5.500 19860 7492 1 18 . 1 1 4 4 HIS HA H 4 4.721 4.721 4.261 0.460 19860 7493 1 18 . 1 1 4 4 HIS C C 4 175.318 175.318 173.866 1.452 19860 7494 1 18 . 1 1 4 4 HIS CA C 4 55.941 55.941 56.207 -0.266 19860 7495 1 18 . 1 1 4 4 HIS CB C 4 30.636 30.636 28.446 2.190 19860 7496 1 18 . 1 1 4 4 HIS H H 4 8.486 8.486 8.293 0.193 19860 7497 1 18 . 1 1 5 5 GLY N N 5 110.318 110.318 103.892 6.426 19860 7498 1 18 . 1 1 5 5 GLY C C 5 172.966 172.966 172.554 0.412 19860 7499 1 18 . 1 1 5 5 GLY CA C 5 45.146 45.146 45.021 0.125 19860 7500 1 18 . 1 1 5 5 GLY H H 5 8.602 8.602 7.839 0.763 19860 7501 1 18 . 1 1 6 6 LYS N N 6 120.808 120.808 123.810 -3.002 19860 7502 1 18 . 1 1 6 6 LYS HA H 6 4.438 4.438 4.701 -0.263 19860 7503 1 18 . 1 1 6 6 LYS C C 6 175.168 175.168 175.347 -0.179 19860 7504 1 18 . 1 1 6 6 LYS CA C 6 56.179 56.179 54.706 1.473 19860 7505 1 18 . 1 1 6 6 LYS CB C 6 34.277 34.277 36.287 -2.010 19860 7506 1 18 . 1 1 6 6 LYS H H 6 8.275 8.275 8.382 -0.107 19860 7507 1 18 . 1 1 7 7 TYR N N 7 118.666 118.666 123.791 -5.125 19860 7508 1 18 . 1 1 7 7 TYR HA H 7 5.513 5.513 5.223 0.290 19860 7509 1 18 . 1 1 7 7 TYR C C 7 176.004 176.004 176.069 -0.065 19860 7510 1 18 . 1 1 7 7 TYR CA C 7 56.971 56.971 57.819 -0.848 19860 7511 1 18 . 1 1 7 7 TYR CB C 7 41.032 41.032 38.566 2.466 19860 7512 1 18 . 1 1 7 7 TYR H H 7 8.351 8.351 8.760 -0.409 19860 7513 1 18 . 1 1 8 8 VAL N N 8 115.920 115.920 118.896 -2.976 19860 7514 1 18 . 1 1 8 8 VAL HA H 8 4.860 4.860 4.531 0.329 19860 7515 1 18 . 1 1 8 8 VAL C C 8 173.220 173.220 173.354 -0.134 19860 7516 1 18 . 1 1 8 8 VAL CA C 8 59.694 59.694 59.413 0.281 19860 7517 1 18 . 1 1 8 8 VAL CB C 8 35.246 35.246 34.839 0.407 19860 7518 1 18 . 1 1 8 8 VAL H H 8 9.057 9.057 8.927 0.130 19860 7519 1 18 . 1 1 9 9 TYR N N 9 118.786 118.786 117.376 1.410 19860 7520 1 18 . 1 1 9 9 TYR HA H 9 5.515 5.515 5.665 -0.150 19860 7521 1 18 . 1 1 9 9 TYR C C 9 175.072 175.072 176.004 -0.932 19860 7522 1 18 . 1 1 9 9 TYR CA C 9 56.576 56.576 55.834 0.742 19860 7523 1 18 . 1 1 9 9 TYR CB C 9 41.532 41.532 42.125 -0.593 19860 7524 1 18 . 1 1 9 9 TYR H H 9 9.117 9.117 8.642 0.475 19860 7525 1 18 . 1 1 10 10 ILE N N 10 121.376 121.376 122.248 -0.872 19860 7526 1 18 . 1 1 10 10 ILE HA H 10 4.887 4.887 4.482 0.405 19860 7527 1 18 . 1 1 10 10 ILE C C 10 176.044 176.044 176.409 -0.365 19860 7528 1 18 . 1 1 10 10 ILE CA C 10 58.948 58.948 58.796 0.152 19860 7529 1 18 . 1 1 10 10 ILE CB C 10 38.537 38.537 37.887 0.650 19860 7530 1 18 . 1 1 10 10 ILE H H 10 9.514 9.514 8.804 0.710 19860 7531 1 18 . 1 1 11 11 ASP N N 11 126.501 126.501 128.331 -1.830 19860 7532 1 18 . 1 1 11 11 ASP HA H 11 4.390 4.390 4.184 0.206 19860 7533 1 18 . 1 1 11 11 ASP C C 11 175.850 175.850 176.533 -0.683 19860 7534 1 18 . 1 1 11 11 ASP CA C 11 53.377 53.377 54.054 -0.677 19860 7535 1 18 . 1 1 11 11 ASP CB C 11 41.808 41.808 39.963 1.845 19860 7536 1 18 . 1 1 11 11 ASP H H 11 8.676 8.676 8.935 -0.259 19860 7537 1 18 . 1 1 12 12 LEU N N 12 127.505 127.505 124.409 3.096 19860 7538 1 18 . 1 1 12 12 LEU HA H 12 4.319 4.319 4.024 0.295 19860 7539 1 18 . 1 1 12 12 LEU C C 12 176.132 176.132 177.912 -1.780 19860 7540 1 18 . 1 1 12 12 LEU CA C 12 55.439 55.439 56.060 -0.621 19860 7541 1 18 . 1 1 12 12 LEU CB C 12 40.312 40.312 42.041 -1.728 19860 7542 1 18 . 1 1 12 12 LEU H H 12 7.692 7.692 7.872 -0.180 19860 7543 1 18 . 1 1 13 13 ASN N N 13 114.351 114.351 114.112 0.239 19860 7544 1 18 . 1 1 13 13 ASN HA H 13 4.391 4.391 4.186 0.205 19860 7545 1 18 . 1 1 13 13 ASN C C 13 174.440 174.440 175.057 -0.617 19860 7546 1 18 . 1 1 13 13 ASN CA C 13 54.482 54.482 55.001 -0.519 19860 7547 1 18 . 1 1 13 13 ASN CB C 13 37.861 37.861 36.914 0.947 19860 7548 1 18 . 1 1 13 13 ASN H H 13 9.187 9.187 7.957 1.230 19860 7549 1 18 . 1 1 14 14 ASN N N 14 115.057 115.057 116.793 -1.736 19860 7550 1 18 . 1 1 14 14 ASN HA H 14 4.779 4.779 4.765 0.014 19860 7551 1 18 . 1 1 14 14 ASN C C 14 176.213 176.213 175.220 0.993 19860 7552 1 18 . 1 1 14 14 ASN CA C 14 52.149 52.149 53.066 -0.916 19860 7553 1 18 . 1 1 14 14 ASN CB C 14 38.727 38.727 38.074 0.653 19860 7554 1 18 . 1 1 14 14 ASN H H 14 7.737 7.737 8.081 -0.344 19860 7555 1 18 . 1 1 15 15 GLY N N 15 110.453 110.453 105.277 5.176 19860 7556 1 18 . 1 1 15 15 GLY C C 15 172.968 172.968 173.325 -0.357 19860 7557 1 18 . 1 1 15 15 GLY CA C 15 45.136 45.136 45.241 -0.105 19860 7558 1 18 . 1 1 15 15 GLY H H 15 8.744 8.744 8.353 0.391 19860 7559 1 18 . 1 1 16 16 LYS N N 16 116.557 116.557 118.503 -1.946 19860 7560 1 18 . 1 1 16 16 LYS HA H 16 4.992 4.992 4.768 0.224 19860 7561 1 18 . 1 1 16 16 LYS C C 16 175.214 175.214 174.203 1.011 19860 7562 1 18 . 1 1 16 16 LYS CA C 16 54.653 54.653 55.077 -0.424 19860 7563 1 18 . 1 1 16 16 LYS CB C 16 35.359 35.359 35.450 -0.091 19860 7564 1 18 . 1 1 16 16 LYS H H 16 7.559 7.559 7.100 0.459 19860 7565 1 18 . 1 1 17 17 TYR N N 17 117.020 117.020 117.555 -0.535 19860 7566 1 18 . 1 1 17 17 TYR HA H 17 5.551 5.551 4.950 0.601 19860 7567 1 18 . 1 1 17 17 TYR C C 17 175.491 175.491 174.355 1.136 19860 7568 1 18 . 1 1 17 17 TYR CA C 17 56.255 56.255 57.221 -0.966 19860 7569 1 18 . 1 1 17 17 TYR CB C 17 42.270 42.270 42.800 -0.530 19860 7570 1 18 . 1 1 17 17 TYR H H 17 8.577 8.577 8.758 -0.181 19860 7571 1 18 . 1 1 18 18 VAL N N 18 121.032 121.032 121.018 0.014 19860 7572 1 18 . 1 1 18 18 VAL HA H 18 5.027 5.027 4.346 0.681 19860 7573 1 18 . 1 1 18 18 VAL C C 18 174.046 174.046 174.391 -0.345 19860 7574 1 18 . 1 1 18 18 VAL CA C 18 59.711 59.711 60.427 -0.716 19860 7575 1 18 . 1 1 18 18 VAL CB C 18 35.076 35.076 34.464 0.612 19860 7576 1 18 . 1 1 18 18 VAL H H 18 8.829 8.829 8.381 0.448 19860 7577 1 18 . 1 1 19 19 LYS N N 19 130.251 130.251 130.055 0.196 19860 7578 1 18 . 1 1 19 19 LYS HA H 19 4.055 4.055 4.468 -0.413 19860 7579 1 18 . 1 1 19 19 LYS C C 19 175.628 175.628 175.266 0.362 19860 7580 1 18 . 1 1 19 19 LYS CA C 19 56.975 56.975 55.849 1.126 19860 7581 1 18 . 1 1 19 19 LYS CB C 19 33.380 33.380 32.865 0.515 19860 7582 1 18 . 1 1 19 19 LYS H H 19 8.388 8.388 8.294 0.094 19860 7583 1 18 . 1 1 20 20 VAL N N 20 127.530 127.530 125.715 1.815 19860 7584 1 18 . 1 1 20 20 VAL HA H 20 4.946 4.946 4.280 0.666 19860 7585 1 18 . 1 1 20 20 VAL C C 20 173.581 173.581 173.901 -0.320 19860 7586 1 18 . 1 1 20 20 VAL CA C 20 60.483 60.483 59.579 0.904 19860 7587 1 18 . 1 1 20 20 VAL CB C 20 35.665 35.665 36.025 -0.360 19860 7588 1 18 . 1 1 20 20 VAL H H 20 9.428 9.428 8.934 0.494 19860 7589 1 18 . 1 1 21 21 ARG N N 21 125.804 125.804 128.656 -2.852 19860 7590 1 18 . 1 1 21 21 ARG HA H 21 4.716 4.716 4.755 -0.039 19860 7591 1 18 . 1 1 21 21 ARG C C 21 174.905 174.905 175.366 -0.461 19860 7592 1 18 . 1 1 21 21 ARG CA C 21 54.864 54.864 54.742 0.122 19860 7593 1 18 . 1 1 21 21 ARG CB C 21 32.881 32.881 30.864 2.017 19860 7594 1 18 . 1 1 21 21 ARG H H 21 9.084 9.084 8.579 0.505 19860 7595 1 18 . 1 1 22 22 ILE N N 22 124.167 124.167 127.020 -2.853 19860 7596 1 18 . 1 1 22 22 ILE HA H 22 4.624 4.624 4.234 0.390 19860 7597 1 18 . 1 1 22 22 ILE C C 22 175.887 175.887 174.950 0.937 19860 7598 1 18 . 1 1 22 22 ILE CA C 22 59.717 59.717 59.536 0.181 19860 7599 1 18 . 1 1 22 22 ILE CB C 22 38.699 38.699 36.692 2.007 19860 7600 1 18 . 1 1 22 22 ILE H H 22 8.554 8.554 8.984 -0.430 19860 7601 1 18 . 1 1 23 23 LEU N N 23 128.981 128.981 129.420 -0.439 19860 7602 1 18 . 1 1 23 23 LEU HA H 23 4.663 4.663 4.731 -0.068 19860 7603 1 18 . 1 1 23 23 LEU C C 23 176.174 176.174 175.914 0.260 19860 7604 1 18 . 1 1 23 23 LEU CA C 23 53.897 53.897 53.554 0.343 19860 7605 1 18 . 1 1 23 23 LEU CB C 23 43.556 43.556 41.587 1.969 19860 7606 1 18 . 1 1 23 23 LEU H H 23 8.835 8.835 8.951 -0.116 19860 7607 1 18 . 1 1 24 24 LYS N N 24 122.797 122.797 126.284 -3.487 19860 7608 1 18 . 1 1 24 24 LYS HA H 24 4.568 4.568 4.353 0.215 19860 7609 1 18 . 1 1 24 24 LYS C C 24 176.407 176.407 175.906 0.501 19860 7610 1 18 . 1 1 24 24 LYS CA C 24 55.808 55.808 55.713 0.095 19860 7611 1 18 . 1 1 24 24 LYS CB C 24 34.082 34.082 33.077 1.005 19860 7612 1 18 . 1 1 24 24 LYS H H 24 8.566 8.566 8.756 -0.190 19860 7613 1 18 . 1 1 25 25 SER N N 25 118.453 118.453 124.143 -5.690 19860 7614 1 18 . 1 1 25 25 SER HA H 25 4.477 4.477 4.627 -0.150 19860 7615 1 18 . 1 1 25 25 SER C C 25 175.038 175.038 174.369 0.669 19860 7616 1 18 . 1 1 25 25 SER CA C 25 58.146 58.146 57.684 0.462 19860 7617 1 18 . 1 1 25 25 SER CB C 25 63.977 63.977 62.137 1.840 19860 7618 1 18 . 1 1 25 25 SER H H 25 8.668 8.668 8.729 -0.061 19860 7619 1 18 . 1 1 26 26 ARG N N 26 123.008 123.008 125.215 -2.207 19860 7620 1 18 . 1 1 26 26 ARG HA H 26 4.284 4.284 4.386 -0.102 19860 7621 1 18 . 1 1 26 26 ARG C C 26 176.640 176.640 177.211 -0.571 19860 7622 1 18 . 1 1 26 26 ARG CA C 26 57.171 57.171 59.183 -2.012 19860 7623 1 18 . 1 1 26 26 ARG CB C 26 30.748 30.748 30.605 0.143 19860 7624 1 18 . 1 1 26 26 ARG H H 26 8.667 8.667 7.691 0.976 19860 7625 1 18 . 1 1 27 27 ASP N N 27 118.281 118.281 118.379 -0.098 19860 7626 1 18 . 1 1 27 27 ASP HA H 27 4.598 4.598 4.352 0.246 19860 7627 1 18 . 1 1 27 27 ASP C C 27 176.028 176.028 177.612 -1.584 19860 7628 1 18 . 1 1 27 27 ASP CA C 27 54.657 54.657 56.860 -2.203 19860 7629 1 18 . 1 1 27 27 ASP CB C 27 41.416 41.416 40.421 0.995 19860 7630 1 18 . 1 1 27 27 ASP H H 27 8.246 8.246 8.553 -0.307 19860 7631 1 18 . 1 1 28 28 ASP N N 28 118.646 118.646 117.704 0.942 19860 7632 1 18 . 1 1 28 28 ASP HA H 28 4.563 4.563 4.500 0.063 19860 7633 1 18 . 1 1 28 28 ASP C C 28 176.165 176.165 176.094 0.071 19860 7634 1 18 . 1 1 28 28 ASP CA C 28 54.822 54.822 56.070 -1.248 19860 7635 1 18 . 1 1 28 28 ASP CB C 28 41.150 41.150 41.286 -0.136 19860 7636 1 18 . 1 1 28 28 ASP H H 28 8.034 8.034 8.147 -0.113 19860 7637 1 18 . 1 1 29 29 ASN N N 29 117.519 117.519 113.650 3.869 19860 7638 1 18 . 1 1 29 29 ASN HA H 29 4.734 4.734 4.653 0.081 19860 7639 1 18 . 1 1 29 29 ASN C C 29 175.116 175.116 173.317 1.799 19860 7640 1 18 . 1 1 29 29 ASN CA C 29 53.951 53.951 53.677 0.274 19860 7641 1 18 . 1 1 29 29 ASN CB C 29 38.779 38.779 39.916 -1.137 19860 7642 1 18 . 1 1 29 29 ASN H H 29 8.473 8.473 8.120 0.353 19860 7643 1 18 . 1 1 30 30 SER N N 30 114.910 114.910 116.309 -1.399 19860 7644 1 18 . 1 1 30 30 SER HA H 30 4.493 4.493 4.628 -0.135 19860 7645 1 18 . 1 1 30 30 SER C C 30 174.235 174.235 172.500 1.735 19860 7646 1 18 . 1 1 30 30 SER CA C 30 58.669 58.669 58.565 0.104 19860 7647 1 18 . 1 1 30 30 SER CB C 30 64.403 64.403 62.695 1.708 19860 7648 1 18 . 1 1 30 30 SER H H 30 8.206 8.206 8.249 -0.043 19860 7649 1 18 . 1 1 31 31 VAL N N 31 121.640 121.640 124.370 -2.730 19860 7650 1 18 . 1 1 31 31 VAL HA H 31 4.090 4.090 4.271 -0.181 19860 7651 1 18 . 1 1 31 31 VAL C C 31 175.873 175.873 174.415 1.458 19860 7652 1 18 . 1 1 31 31 VAL CA C 31 62.939 62.939 61.267 1.671 19860 7653 1 18 . 1 1 31 31 VAL CB C 31 32.878 32.878 33.969 -1.091 19860 7654 1 18 . 1 1 31 31 VAL H H 31 8.242 8.242 8.256 -0.014 19860 7655 1 18 . 1 1 32 32 GLU N N 32 125.144 125.144 128.062 -2.918 19860 7656 1 18 . 1 1 32 32 GLU HA H 32 4.417 4.417 4.655 -0.238 19860 7657 1 18 . 1 1 32 32 GLU C C 32 175.532 175.532 175.704 -0.172 19860 7658 1 18 . 1 1 32 32 GLU CA C 32 56.886 56.886 55.829 1.057 19860 7659 1 18 . 1 1 32 32 GLU CB C 32 31.059 31.059 29.031 2.028 19860 7660 1 18 . 1 1 32 32 GLU H H 32 8.679 8.679 8.759 -0.080 19860 7661 1 18 . 1 1 33 33 LYS N N 33 120.222 120.222 124.511 -4.289 19860 7662 1 18 . 1 1 33 33 LYS HA H 33 4.574 4.574 4.289 0.285 19860 7663 1 18 . 1 1 33 33 LYS C C 33 174.194 174.194 174.914 -0.720 19860 7664 1 18 . 1 1 33 33 LYS CA C 33 55.324 55.324 55.062 0.262 19860 7665 1 18 . 1 1 33 33 LYS CB C 33 35.258 35.258 34.429 0.829 19860 7666 1 18 . 1 1 33 33 LYS H H 33 8.229 8.229 8.571 -0.342 19860 7667 1 18 . 1 1 34 34 TYR N N 34 121.014 121.014 117.584 3.430 19860 7668 1 18 . 1 1 34 34 TYR HA H 34 4.910 4.910 4.800 0.110 19860 7669 1 18 . 1 1 34 34 TYR C C 34 175.667 175.667 176.476 -0.809 19860 7670 1 18 . 1 1 34 34 TYR CA C 34 56.984 56.984 57.519 -0.535 19860 7671 1 18 . 1 1 34 34 TYR CB C 34 40.036 40.036 40.346 -0.310 19860 7672 1 18 . 1 1 34 34 TYR H H 34 8.552 8.552 8.277 0.275 19860 7673 1 18 . 1 1 35 35 VAL N N 35 124.624 124.624 121.827 2.797 19860 7674 1 18 . 1 1 35 35 VAL HA H 35 4.301 4.301 3.986 0.315 19860 7675 1 18 . 1 1 35 35 VAL C C 35 175.490 175.490 176.319 -0.829 19860 7676 1 18 . 1 1 35 35 VAL CA C 35 61.869 61.869 62.698 -0.829 19860 7677 1 18 . 1 1 35 35 VAL CB C 35 33.510 33.510 33.173 0.336 19860 7678 1 18 . 1 1 35 35 VAL H H 35 9.337 9.337 8.304 1.033 19860 7679 1 18 . 1 1 36 36 LEU N N 36 127.814 127.814 125.490 2.324 19860 7680 1 18 . 1 1 36 36 LEU HA H 36 4.326 4.326 4.549 -0.223 19860 7681 1 18 . 1 1 36 36 LEU C C 36 177.355 177.355 176.173 1.182 19860 7682 1 18 . 1 1 36 36 LEU CA C 36 56.612 56.612 55.745 0.867 19860 7683 1 18 . 1 1 36 36 LEU CB C 36 41.899 41.899 42.075 -0.176 19860 7684 1 18 . 1 1 36 36 LEU H H 36 8.845 8.845 8.410 0.435 19860 7685 1 18 . 1 1 37 37 THR N N 37 112.016 112.016 113.991 -1.975 19860 7686 1 18 . 1 1 37 37 THR HA H 37 4.904 4.904 4.308 0.596 19860 7687 1 18 . 1 1 37 37 THR C C 37 173.228 173.228 174.303 -1.075 19860 7688 1 18 . 1 1 37 37 THR CA C 37 61.023 61.023 61.351 -0.328 19860 7689 1 18 . 1 1 37 37 THR CB C 37 70.829 70.829 69.414 1.415 19860 7690 1 18 . 1 1 37 37 THR H H 37 7.374 7.374 7.469 -0.095 19860 7691 1 18 . 1 1 38 38 SER N N 38 111.049 111.049 119.127 -8.078 19860 7692 1 18 . 1 1 38 38 SER HA H 38 4.635 4.635 4.698 -0.063 19860 7693 1 18 . 1 1 38 38 SER C C 38 174.606 174.606 173.771 0.835 19860 7694 1 18 . 1 1 38 38 SER CA C 38 57.957 57.957 56.684 1.274 19860 7695 1 18 . 1 1 38 38 SER CB C 38 63.849 63.849 63.601 0.248 19860 7696 1 18 . 1 1 38 38 SER H H 38 8.387 8.387 8.127 0.260 19860 7697 1 18 . 1 1 39 39 HIS N N 39 122.230 122.230 119.513 2.717 19860 7698 1 18 . 1 1 39 39 HIS HA H 39 4.768 4.768 4.489 0.279 19860 7699 1 18 . 1 1 39 39 HIS C C 39 173.143 173.143 174.365 -1.222 19860 7700 1 18 . 1 1 39 39 HIS CA C 39 56.328 56.328 55.992 0.335 19860 7701 1 18 . 1 1 39 39 HIS CB C 39 29.938 29.938 29.796 0.142 19860 7702 1 18 . 1 1 39 39 HIS H H 39 8.424 8.424 7.266 1.158 19860 7703 1 18 . 1 1 40 40 VAL N N 40 126.582 126.582 119.660 6.922 19860 7704 1 18 . 1 1 40 40 VAL HA H 40 4.915 4.915 4.608 0.307 19860 7705 1 18 . 1 1 40 40 VAL C C 40 175.763 175.763 175.434 0.329 19860 7706 1 18 . 1 1 40 40 VAL CA C 40 60.612 60.612 60.839 -0.227 19860 7707 1 18 . 1 1 40 40 VAL CB C 40 34.085 34.085 33.335 0.750 19860 7708 1 18 . 1 1 40 40 VAL H H 40 8.364 8.364 8.535 -0.171 19860 7709 1 18 . 1 1 41 41 SER N N 41 121.067 121.067 118.519 2.548 19860 7710 1 18 . 1 1 41 41 SER HA H 41 4.947 4.947 4.864 0.083 19860 7711 1 18 . 1 1 41 41 SER C C 41 174.505 174.505 175.182 -0.677 19860 7712 1 18 . 1 1 41 41 SER CA C 41 57.001 57.001 56.469 0.532 19860 7713 1 18 . 1 1 41 41 SER CB C 41 65.504 65.504 65.185 0.319 19860 7714 1 18 . 1 1 41 41 SER H H 41 9.297 9.297 9.061 0.236 19860 7715 1 18 . 1 1 42 42 LYS N N 42 123.812 123.812 125.091 -1.279 19860 7716 1 18 . 1 1 42 42 LYS HA H 42 4.905 4.905 4.235 0.670 19860 7717 1 18 . 1 1 42 42 LYS C C 42 175.037 175.037 176.798 -1.761 19860 7718 1 18 . 1 1 42 42 LYS CA C 42 56.600 56.600 57.136 -0.536 19860 7719 1 18 . 1 1 42 42 LYS CB C 42 32.827 32.827 32.791 0.035 19860 7720 1 18 . 1 1 42 42 LYS H H 42 8.962 8.962 8.743 0.219 19860 7721 1 18 . 1 1 43 43 ASN N N 43 115.779 115.779 119.323 -3.544 19860 7722 1 18 . 1 1 43 43 ASN HA H 43 4.906 4.906 4.727 0.179 19860 7723 1 18 . 1 1 43 43 ASN C C 43 173.479 173.479 174.489 -1.010 19860 7724 1 18 . 1 1 43 43 ASN CA C 43 51.840 51.840 52.785 -0.945 19860 7725 1 18 . 1 1 43 43 ASN CB C 43 40.763 40.763 39.793 0.970 19860 7726 1 18 . 1 1 43 43 ASN H H 43 8.053 8.053 7.628 0.425 19860 7727 1 18 . 1 1 44 44 ARG N N 44 124.471 124.471 123.298 1.173 19860 7728 1 18 . 1 1 44 44 ARG HA H 44 3.217 3.217 4.125 -0.908 19860 7729 1 18 . 1 1 44 44 ARG C C 44 173.869 173.869 173.968 -0.099 19860 7730 1 18 . 1 1 44 44 ARG CA C 44 54.034 54.034 54.181 -0.147 19860 7731 1 18 . 1 1 44 44 ARG CB C 44 29.917 29.917 30.229 -0.312 19860 7732 1 18 . 1 1 44 44 ARG H H 44 8.565 8.565 8.551 0.014 19860 7733 1 18 . 1 1 45 45 PRO HA H 45 4.123 4.123 4.422 -0.299 19860 7734 1 18 . 1 1 45 45 PRO C C 45 176.434 176.434 176.176 0.258 19860 7735 1 18 . 1 1 45 45 PRO CA C 45 62.292 62.292 61.988 0.304 19860 7736 1 18 . 1 1 45 45 PRO CB C 45 32.110 32.110 32.766 -0.656 19860 7737 1 18 . 1 1 46 46 LYS N N 46 122.529 122.529 124.701 -2.172 19860 7738 1 18 . 1 1 46 46 LYS HA H 46 4.110 4.110 4.191 -0.081 19860 7739 1 18 . 1 1 46 46 LYS C C 46 176.931 176.931 176.219 0.712 19860 7740 1 18 . 1 1 46 46 LYS CA C 46 57.000 57.000 56.662 0.338 19860 7741 1 18 . 1 1 46 46 LYS CB C 46 33.095 33.095 32.963 0.132 19860 7742 1 18 . 1 1 46 46 LYS H H 46 8.470 8.470 8.780 -0.309 19860 7743 1 18 . 1 1 47 47 ASN N N 47 117.122 117.122 116.961 0.161 19860 7744 1 18 . 1 1 47 47 ASN HA H 47 4.589 4.589 4.768 -0.179 19860 7745 1 18 . 1 1 47 47 ASN C C 47 174.011 174.011 174.026 -0.015 19860 7746 1 18 . 1 1 47 47 ASN CA C 47 53.493 53.493 53.056 0.437 19860 7747 1 18 . 1 1 47 47 ASN CB C 47 37.868 37.868 38.585 -0.717 19860 7748 1 18 . 1 1 47 47 ASN H H 47 8.745 8.745 8.160 0.585 19860 7749 1 18 . 1 1 48 48 ALA N N 48 119.908 119.908 122.597 -2.689 19860 7750 1 18 . 1 1 48 48 ALA HA H 48 4.609 4.609 4.544 0.065 19860 7751 1 18 . 1 1 48 48 ALA C C 48 176.506 176.506 176.058 0.448 19860 7752 1 18 . 1 1 48 48 ALA CA C 48 51.136 51.136 51.042 0.094 19860 7753 1 18 . 1 1 48 48 ALA CB C 48 22.389 22.389 21.857 0.532 19860 7754 1 18 . 1 1 48 48 ALA H H 48 7.394 7.394 7.382 0.012 19860 7755 1 18 . 1 1 49 49 ILE N N 49 123.192 123.192 121.478 1.714 19860 7756 1 18 . 1 1 49 49 ILE HA H 49 4.140 4.140 4.366 -0.226 19860 7757 1 18 . 1 1 49 49 ILE C C 49 174.731 174.731 175.410 -0.679 19860 7758 1 18 . 1 1 49 49 ILE CA C 49 61.597 61.597 60.376 1.221 19860 7759 1 18 . 1 1 49 49 ILE CB C 49 38.166 38.166 37.474 0.692 19860 7760 1 18 . 1 1 49 49 ILE H H 49 8.878 8.878 8.712 0.166 19860 7761 1 18 . 1 1 50 50 VAL N N 50 127.552 127.552 123.096 4.456 19860 7762 1 18 . 1 1 50 50 VAL HA H 50 5.289 5.289 5.673 -0.384 19860 7763 1 18 . 1 1 50 50 VAL C C 50 176.411 176.411 175.292 1.119 19860 7764 1 18 . 1 1 50 50 VAL CA C 50 60.499 60.499 59.877 0.622 19860 7765 1 18 . 1 1 50 50 VAL CB C 50 33.890 33.890 34.100 -0.210 19860 7766 1 18 . 1 1 50 50 VAL H H 50 8.371 8.371 8.276 0.095 19860 7767 1 18 . 1 1 51 51 ILE N N 51 126.906 126.906 126.180 0.726 19860 7768 1 18 . 1 1 51 51 ILE HA H 51 4.691 4.691 4.466 0.225 19860 7769 1 18 . 1 1 51 51 ILE C C 51 175.322 175.322 175.204 0.118 19860 7770 1 18 . 1 1 51 51 ILE CA C 51 59.439 59.439 60.079 -0.640 19860 7771 1 18 . 1 1 51 51 ILE CB C 51 41.189 41.189 41.528 -0.339 19860 7772 1 18 . 1 1 51 51 ILE H H 51 9.314 9.314 8.857 0.457 19860 7773 1 18 . 1 1 52 52 LYS N N 52 123.523 123.523 125.745 -2.222 19860 7774 1 18 . 1 1 52 52 LYS HA H 52 4.686 4.686 4.307 0.379 19860 7775 1 18 . 1 1 52 52 LYS C C 52 178.237 178.237 177.837 0.400 19860 7776 1 18 . 1 1 52 52 LYS CA C 52 56.120 56.120 57.042 -0.922 19860 7777 1 18 . 1 1 52 52 LYS CB C 52 33.392 33.392 33.263 0.129 19860 7778 1 18 . 1 1 52 52 LYS H H 52 8.737 8.737 8.765 -0.028 19860 7779 1 18 . 1 1 53 53 MET N N 53 119.701 119.701 124.468 -4.767 19860 7780 1 18 . 1 1 53 53 MET HA H 53 3.908 3.908 4.106 -0.198 19860 7781 1 18 . 1 1 53 53 MET C C 53 177.401 177.401 178.085 -0.684 19860 7782 1 18 . 1 1 53 53 MET CA C 53 58.725 58.725 59.929 -1.204 19860 7783 1 18 . 1 1 53 53 MET CB C 53 33.383 33.383 32.436 0.947 19860 7784 1 18 . 1 1 53 53 MET H H 53 8.799 8.799 9.042 -0.243 19860 7785 1 18 . 1 1 54 54 ASP N N 54 113.357 113.357 116.929 -3.572 19860 7786 1 18 . 1 1 54 54 ASP HA H 54 4.288 4.288 4.369 -0.081 19860 7787 1 18 . 1 1 54 54 ASP C C 54 176.649 176.649 177.017 -0.368 19860 7788 1 18 . 1 1 54 54 ASP CA C 54 56.682 56.682 56.340 0.342 19860 7789 1 18 . 1 1 54 54 ASP CB C 54 40.670 40.670 40.723 -0.053 19860 7790 1 18 . 1 1 54 54 ASP H H 54 8.262 8.262 8.623 -0.361 19860 7791 1 18 . 1 1 55 55 ASN N N 55 114.935 114.935 115.981 -1.046 19860 7792 1 18 . 1 1 55 55 ASN HA H 55 5.001 5.001 4.751 0.250 19860 7793 1 18 . 1 1 55 55 ASN C C 55 175.032 175.032 175.845 -0.813 19860 7794 1 18 . 1 1 55 55 ASN CA C 55 52.897 52.897 53.835 -0.938 19860 7795 1 18 . 1 1 55 55 ASN CB C 55 39.184 39.184 39.478 -0.295 19860 7796 1 18 . 1 1 55 55 ASN H H 55 7.971 7.971 7.629 0.342 19860 7797 1 18 . 1 1 56 56 LEU N N 56 120.385 120.385 122.761 -2.376 19860 7798 1 18 . 1 1 56 56 LEU HA H 56 4.488 4.488 4.314 0.174 19860 7799 1 18 . 1 1 56 56 LEU C C 56 174.131 174.131 174.592 -0.461 19860 7800 1 18 . 1 1 56 56 LEU CA C 56 52.912 52.912 52.520 0.392 19860 7801 1 18 . 1 1 56 56 LEU CB C 56 41.958 41.958 40.589 1.369 19860 7802 1 18 . 1 1 56 56 LEU H H 56 7.331 7.331 7.404 -0.073 19860 7803 1 18 . 1 1 57 57 PRO HA H 57 4.617 4.617 4.548 0.069 19860 7804 1 18 . 1 1 57 57 PRO C C 57 178.627 178.627 177.645 0.982 19860 7805 1 18 . 1 1 57 57 PRO CA C 57 62.751 62.751 62.431 0.320 19860 7806 1 18 . 1 1 57 57 PRO CB C 57 32.718 32.718 32.478 0.240 19860 7807 1 18 . 1 1 58 58 ILE N N 58 125.295 125.295 119.153 6.142 19860 7808 1 18 . 1 1 58 58 ILE HA H 58 3.783 3.783 3.802 -0.019 19860 7809 1 18 . 1 1 58 58 ILE C C 58 176.776 176.776 177.304 -0.528 19860 7810 1 18 . 1 1 58 58 ILE CA C 58 64.583 64.583 64.355 0.228 19860 7811 1 18 . 1 1 58 58 ILE CB C 58 37.959 37.959 37.221 0.738 19860 7812 1 18 . 1 1 58 58 ILE H H 58 8.882 8.882 8.394 0.488 19860 7813 1 18 . 1 1 59 59 GLU N N 59 118.869 118.869 120.716 -1.847 19860 7814 1 18 . 1 1 59 59 GLU HA H 59 4.254 4.254 4.158 0.096 19860 7815 1 18 . 1 1 59 59 GLU C C 59 179.370 179.370 178.404 0.966 19860 7816 1 18 . 1 1 59 59 GLU CA C 59 59.757 59.757 58.952 0.805 19860 7817 1 18 . 1 1 59 59 GLU CB C 59 29.053 29.053 27.869 1.184 19860 7818 1 18 . 1 1 59 59 GLU H H 59 9.348 9.348 8.729 0.619 19860 7819 1 18 . 1 1 60 60 VAL N N 60 118.990 118.990 121.524 -2.534 19860 7820 1 18 . 1 1 60 60 VAL HA H 60 3.772 3.772 3.612 0.160 19860 7821 1 18 . 1 1 60 60 VAL C C 60 177.451 177.451 177.759 -0.308 19860 7822 1 18 . 1 1 60 60 VAL CA C 60 65.331 65.331 66.363 -1.032 19860 7823 1 18 . 1 1 60 60 VAL CB C 60 31.869 31.869 31.440 0.429 19860 7824 1 18 . 1 1 60 60 VAL H H 60 7.290 7.290 7.853 -0.563 19860 7825 1 18 . 1 1 61 61 LYS N N 61 120.824 120.824 119.655 1.169 19860 7826 1 18 . 1 1 61 61 LYS HA H 61 3.782 3.782 3.847 -0.065 19860 7827 1 18 . 1 1 61 61 LYS C C 61 179.444 179.444 178.758 0.686 19860 7828 1 18 . 1 1 61 61 LYS CA C 61 61.060 61.060 60.042 1.018 19860 7829 1 18 . 1 1 61 61 LYS CB C 61 32.196 32.196 31.857 0.339 19860 7830 1 18 . 1 1 61 61 LYS H H 61 8.043 8.043 8.246 -0.203 19860 7831 1 18 . 1 1 62 62 ASP N N 62 119.231 119.231 119.723 -0.492 19860 7832 1 18 . 1 1 62 62 ASP HA H 62 4.427 4.427 4.324 0.103 19860 7833 1 18 . 1 1 62 62 ASP C C 62 178.420 178.420 178.241 0.179 19860 7834 1 18 . 1 1 62 62 ASP CA C 62 57.851 57.851 57.492 0.359 19860 7835 1 18 . 1 1 62 62 ASP CB C 62 40.780 40.780 40.812 -0.032 19860 7836 1 18 . 1 1 62 62 ASP H H 62 8.766 8.766 8.077 0.689 19860 7837 1 18 . 1 1 63 63 LYS N N 63 119.623 119.623 118.653 0.970 19860 7838 1 18 . 1 1 63 63 LYS HA H 63 4.025 4.025 4.196 -0.171 19860 7839 1 18 . 1 1 63 63 LYS C C 63 178.866 178.866 179.265 -0.399 19860 7840 1 18 . 1 1 63 63 LYS CA C 63 59.667 59.667 58.475 1.192 19860 7841 1 18 . 1 1 63 63 LYS CB C 63 32.929 32.929 32.698 0.231 19860 7842 1 18 . 1 1 63 63 LYS H H 63 7.391 7.391 7.412 -0.021 19860 7843 1 18 . 1 1 64 64 LEU N N 64 118.806 118.806 120.992 -2.186 19860 7844 1 18 . 1 1 64 64 LEU HA H 64 4.216 4.216 3.901 0.315 19860 7845 1 18 . 1 1 64 64 LEU C C 64 178.793 178.793 178.233 0.560 19860 7846 1 18 . 1 1 64 64 LEU CA C 64 58.011 58.011 58.195 -0.184 19860 7847 1 18 . 1 1 64 64 LEU CB C 64 42.251 42.251 41.562 0.689 19860 7848 1 18 . 1 1 64 64 LEU H H 64 8.357 8.357 8.563 -0.206 19860 7849 1 18 . 1 1 65 65 THR N N 65 115.102 115.102 114.771 0.331 19860 7850 1 18 . 1 1 65 65 THR HA H 65 3.920 3.920 3.646 0.274 19860 7851 1 18 . 1 1 65 65 THR C C 65 176.410 176.410 176.973 -0.563 19860 7852 1 18 . 1 1 65 65 THR CA C 65 66.705 66.705 66.640 0.065 19860 7853 1 18 . 1 1 65 65 THR CB C 65 68.876 68.876 68.416 0.460 19860 7854 1 18 . 1 1 65 65 THR H H 65 8.343 8.343 8.089 0.254 19860 7855 1 18 . 1 1 66 66 ARG N N 66 119.405 119.405 120.188 -0.783 19860 7856 1 18 . 1 1 66 66 ARG HA H 66 4.067 4.067 4.029 0.038 19860 7857 1 18 . 1 1 66 66 ARG C C 66 177.988 177.988 177.676 0.312 19860 7858 1 18 . 1 1 66 66 ARG CA C 66 58.961 58.961 58.930 0.031 19860 7859 1 18 . 1 1 66 66 ARG CB C 66 30.302 30.302 30.217 0.085 19860 7860 1 18 . 1 1 66 66 ARG H H 66 7.832 7.832 7.537 0.295 19860 7861 1 18 . 1 1 67 67 PHE N N 67 117.304 117.304 119.282 -1.978 19860 7862 1 18 . 1 1 67 67 PHE HA H 67 4.323 4.323 4.348 -0.025 19860 7863 1 18 . 1 1 67 67 PHE C C 67 177.141 177.141 176.425 0.716 19860 7864 1 18 . 1 1 67 67 PHE CA C 67 59.989 59.989 60.739 -0.750 19860 7865 1 18 . 1 1 67 67 PHE CB C 67 39.269 39.269 40.041 -0.772 19860 7866 1 18 . 1 1 67 67 PHE H H 67 8.190 8.190 7.735 0.455 19860 7867 1 18 . 1 1 68 68 PHE N N 68 114.297 114.297 113.916 0.381 19860 7868 1 18 . 1 1 68 68 PHE HA H 68 4.696 4.696 4.691 0.005 19860 7869 1 18 . 1 1 68 68 PHE C C 68 175.969 175.969 176.055 -0.086 19860 7870 1 18 . 1 1 68 68 PHE CA C 68 59.112 59.112 58.046 1.066 19860 7871 1 18 . 1 1 68 68 PHE CB C 68 40.100 40.100 39.191 0.909 19860 7872 1 18 . 1 1 68 68 PHE H H 68 8.087 8.087 7.467 0.620 19860 7873 1 18 . 1 1 69 69 LEU N N 69 119.594 119.594 120.792 -1.198 19860 7874 1 18 . 1 1 69 69 LEU HA H 69 4.476 4.476 4.409 0.067 19860 7875 1 18 . 1 1 69 69 LEU C C 69 177.425 177.425 178.087 -0.662 19860 7876 1 18 . 1 1 69 69 LEU CA C 69 55.805 55.805 56.616 -0.811 19860 7877 1 18 . 1 1 69 69 LEU CB C 69 41.399 41.399 42.678 -1.279 19860 7878 1 18 . 1 1 69 69 LEU H H 69 7.823 7.823 6.949 0.874 19860 7879 1 18 . 1 1 70 70 LEU N N 70 119.723 119.723 116.393 3.330 19860 7880 1 18 . 1 1 70 70 LEU HA H 70 4.341 4.341 3.811 0.530 19860 7881 1 18 . 1 1 70 70 LEU C C 70 177.443 177.443 177.006 0.437 19860 7882 1 18 . 1 1 70 70 LEU CA C 70 55.288 55.288 56.865 -1.577 19860 7883 1 18 . 1 1 70 70 LEU CB C 70 42.205 42.205 41.310 0.895 19860 7884 1 18 . 1 1 70 70 LEU H H 70 7.905 7.905 8.243 -0.338 19860 7885 1 18 . 1 1 71 71 GLU N N 71 120.533 120.533 115.966 4.567 19860 7886 1 18 . 1 1 71 71 GLU HA H 71 4.200 4.200 3.952 0.248 19860 7887 1 18 . 1 1 71 71 GLU C C 71 176.250 176.250 175.736 0.514 19860 7888 1 18 . 1 1 71 71 GLU CA C 71 56.609 56.609 57.166 -0.557 19860 7889 1 18 . 1 1 71 71 GLU CB C 71 30.475 30.475 28.445 2.030 19860 7890 1 18 . 1 1 71 71 GLU H H 71 8.244 8.244 8.314 -0.070 19860 7891 1 18 . 1 1 72 72 HIS N N 72 119.783 119.783 116.715 3.068 19860 7892 1 18 . 1 1 72 72 HIS HA H 72 4.623 4.623 4.481 0.142 19860 7893 1 18 . 1 1 72 72 HIS C C 72 174.645 174.645 174.711 -0.066 19860 7894 1 18 . 1 1 72 72 HIS CA C 72 55.737 55.737 57.255 -1.518 19860 7895 1 18 . 1 1 72 72 HIS CB C 72 29.901 29.901 30.297 -0.396 19860 7896 1 18 . 1 1 72 72 HIS H H 72 8.403 8.403 8.349 0.054 19860 7897 1 18 . 1 1 73 73 HIS N N 73 120.199 120.199 118.076 2.123 19860 7898 1 18 . 1 1 73 73 HIS HA H 73 4.625 4.625 4.803 -0.178 19860 7899 1 18 . 1 1 73 73 HIS C C 73 174.552 174.552 173.976 0.576 19860 7900 1 18 . 1 1 73 73 HIS CA C 73 55.754 55.754 55.487 0.267 19860 7901 1 18 . 1 1 73 73 HIS CB C 73 29.976 29.976 30.331 -0.355 19860 7902 1 18 . 1 1 73 73 HIS H H 73 8.539 8.539 8.234 0.305 19860 7903 1 18 . 1 1 74 74 HIS N N 74 120.457 120.457 125.854 -5.397 19860 7904 1 18 . 1 1 74 74 HIS HA H 74 4.655 4.655 4.892 -0.237 19860 7905 1 18 . 1 1 74 74 HIS C C 74 174.638 174.638 173.790 0.848 19860 7906 1 18 . 1 1 74 74 HIS CA C 74 55.771 55.771 56.325 -0.554 19860 7907 1 18 . 1 1 74 74 HIS CB C 74 29.916 29.916 31.115 -1.199 19860 7908 1 18 . 1 1 74 74 HIS H H 74 8.681 8.681 8.667 0.014 19860 7909 1 18 . 1 1 75 75 HIS N N 75 120.782 120.782 123.868 -3.086 19860 7910 1 18 . 1 1 75 75 HIS HA H 75 4.671 4.671 4.843 -0.172 19860 7911 1 18 . 1 1 75 75 HIS C C 75 174.525 174.525 174.276 0.249 19860 7912 1 18 . 1 1 75 75 HIS CA C 75 55.758 55.758 54.444 1.314 19860 7913 1 18 . 1 1 75 75 HIS CB C 75 29.934 29.934 30.970 -1.036 19860 7914 1 18 . 1 1 75 75 HIS H H 75 8.755 8.755 8.256 0.499 19860 7915 1 18 . 1 1 76 76 HIS N N 76 120.737 120.737 124.269 -3.532 19860 7916 1 18 . 1 1 76 76 HIS HA H 76 4.666 4.666 4.549 0.117 19860 7917 1 18 . 1 1 76 76 HIS C C 76 173.873 173.873 174.314 -0.441 19860 7918 1 18 . 1 1 76 76 HIS CA C 76 55.921 55.921 55.642 0.279 19860 7919 1 18 . 1 1 76 76 HIS CB C 76 29.848 29.848 30.269 -0.421 19860 7920 1 18 . 1 1 76 76 HIS H H 76 8.693 8.693 8.703 -0.010 19860 7921 1 19 . 1 1 2 2 LEU HA H 2 4.435 4.435 4.044 0.391 19860 7922 1 19 . 1 1 2 2 LEU C C 2 176.773 176.773 176.430 0.343 19860 7923 1 19 . 1 1 2 2 LEU CA C 2 55.299 55.299 56.344 -1.045 19860 7924 1 19 . 1 1 2 2 LEU CB C 2 42.529 42.529 40.787 1.742 19860 7925 1 19 . 1 1 3 3 LYS N N 3 123.220 123.220 121.721 1.499 19860 7926 1 19 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.094 0.231 19860 7927 1 19 . 1 1 3 3 LYS C C 3 176.224 176.224 176.760 -0.536 19860 7928 1 19 . 1 1 3 3 LYS CA C 3 56.344 56.344 56.786 -0.442 19860 7929 1 19 . 1 1 3 3 LYS CB C 3 33.335 33.335 32.174 1.161 19860 7930 1 19 . 1 1 3 3 LYS H H 3 8.520 8.520 7.918 0.602 19860 7931 1 19 . 1 1 4 4 HIS N N 4 119.727 119.727 123.592 -3.865 19860 7932 1 19 . 1 1 4 4 HIS HA H 4 4.721 4.721 4.576 0.145 19860 7933 1 19 . 1 1 4 4 HIS C C 4 175.318 175.318 175.013 0.305 19860 7934 1 19 . 1 1 4 4 HIS CA C 4 55.941 55.941 57.218 -1.276 19860 7935 1 19 . 1 1 4 4 HIS CB C 4 30.636 30.636 31.102 -0.467 19860 7936 1 19 . 1 1 4 4 HIS H H 4 8.486 8.486 8.163 0.323 19860 7937 1 19 . 1 1 5 5 GLY N N 5 110.318 110.318 106.548 3.770 19860 7938 1 19 . 1 1 5 5 GLY C C 5 172.966 172.966 173.234 -0.268 19860 7939 1 19 . 1 1 5 5 GLY CA C 5 45.146 45.146 44.248 0.898 19860 7940 1 19 . 1 1 5 5 GLY H H 5 8.602 8.602 8.040 0.562 19860 7941 1 19 . 1 1 6 6 LYS N N 6 120.808 120.808 126.135 -5.327 19860 7942 1 19 . 1 1 6 6 LYS HA H 6 4.438 4.438 4.552 -0.114 19860 7943 1 19 . 1 1 6 6 LYS C C 6 175.168 175.168 175.508 -0.340 19860 7944 1 19 . 1 1 6 6 LYS CA C 6 56.179 56.179 55.017 1.162 19860 7945 1 19 . 1 1 6 6 LYS CB C 6 34.277 34.277 35.196 -0.919 19860 7946 1 19 . 1 1 6 6 LYS H H 6 8.275 8.275 7.858 0.417 19860 7947 1 19 . 1 1 7 7 TYR N N 7 118.666 118.666 122.404 -3.738 19860 7948 1 19 . 1 1 7 7 TYR HA H 7 5.513 5.513 4.970 0.543 19860 7949 1 19 . 1 1 7 7 TYR C C 7 176.004 176.004 176.234 -0.230 19860 7950 1 19 . 1 1 7 7 TYR CA C 7 56.971 56.971 58.157 -1.187 19860 7951 1 19 . 1 1 7 7 TYR CB C 7 41.032 41.032 38.203 2.829 19860 7952 1 19 . 1 1 7 7 TYR H H 7 8.351 8.351 8.714 -0.363 19860 7953 1 19 . 1 1 8 8 VAL N N 8 115.920 115.920 119.196 -3.276 19860 7954 1 19 . 1 1 8 8 VAL HA H 8 4.860 4.860 4.679 0.181 19860 7955 1 19 . 1 1 8 8 VAL C C 8 173.220 173.220 173.676 -0.456 19860 7956 1 19 . 1 1 8 8 VAL CA C 8 59.694 59.694 59.368 0.326 19860 7957 1 19 . 1 1 8 8 VAL CB C 8 35.246 35.246 34.852 0.394 19860 7958 1 19 . 1 1 8 8 VAL H H 8 9.057 9.057 9.073 -0.016 19860 7959 1 19 . 1 1 9 9 TYR N N 9 118.786 118.786 117.194 1.592 19860 7960 1 19 . 1 1 9 9 TYR HA H 9 5.515 5.515 5.651 -0.136 19860 7961 1 19 . 1 1 9 9 TYR C C 9 175.072 175.072 175.914 -0.842 19860 7962 1 19 . 1 1 9 9 TYR CA C 9 56.576 56.576 55.974 0.602 19860 7963 1 19 . 1 1 9 9 TYR CB C 9 41.532 41.532 42.528 -0.996 19860 7964 1 19 . 1 1 9 9 TYR H H 9 9.117 9.117 8.949 0.168 19860 7965 1 19 . 1 1 10 10 ILE N N 10 121.376 121.376 121.864 -0.488 19860 7966 1 19 . 1 1 10 10 ILE HA H 10 4.887 4.887 4.685 0.202 19860 7967 1 19 . 1 1 10 10 ILE C C 10 176.044 176.044 176.292 -0.248 19860 7968 1 19 . 1 1 10 10 ILE CA C 10 58.948 58.948 58.620 0.328 19860 7969 1 19 . 1 1 10 10 ILE CB C 10 38.537 38.537 37.809 0.728 19860 7970 1 19 . 1 1 10 10 ILE H H 10 9.514 9.514 8.562 0.952 19860 7971 1 19 . 1 1 11 11 ASP N N 11 126.501 126.501 128.229 -1.728 19860 7972 1 19 . 1 1 11 11 ASP HA H 11 4.390 4.390 4.486 -0.096 19860 7973 1 19 . 1 1 11 11 ASP C C 11 175.850 175.850 176.530 -0.680 19860 7974 1 19 . 1 1 11 11 ASP CA C 11 53.377 53.377 53.886 -0.509 19860 7975 1 19 . 1 1 11 11 ASP CB C 11 41.808 41.808 40.350 1.458 19860 7976 1 19 . 1 1 11 11 ASP H H 11 8.676 8.676 8.849 -0.173 19860 7977 1 19 . 1 1 12 12 LEU N N 12 127.505 127.505 123.870 3.635 19860 7978 1 19 . 1 1 12 12 LEU HA H 12 4.319 4.319 4.126 0.193 19860 7979 1 19 . 1 1 12 12 LEU C C 12 176.132 176.132 177.650 -1.518 19860 7980 1 19 . 1 1 12 12 LEU CA C 12 55.439 55.439 55.706 -0.267 19860 7981 1 19 . 1 1 12 12 LEU CB C 12 40.312 40.312 41.793 -1.481 19860 7982 1 19 . 1 1 12 12 LEU H H 12 7.692 7.692 7.800 -0.108 19860 7983 1 19 . 1 1 13 13 ASN N N 13 114.351 114.351 114.807 -0.456 19860 7984 1 19 . 1 1 13 13 ASN HA H 13 4.391 4.391 4.267 0.124 19860 7985 1 19 . 1 1 13 13 ASN C C 13 174.440 174.440 174.548 -0.108 19860 7986 1 19 . 1 1 13 13 ASN CA C 13 54.482 54.482 54.658 -0.176 19860 7987 1 19 . 1 1 13 13 ASN CB C 13 37.861 37.861 37.890 -0.029 19860 7988 1 19 . 1 1 13 13 ASN H H 13 9.187 9.187 7.969 1.218 19860 7989 1 19 . 1 1 14 14 ASN N N 14 115.057 115.057 117.035 -1.978 19860 7990 1 19 . 1 1 14 14 ASN HA H 14 4.779 4.779 4.754 0.025 19860 7991 1 19 . 1 1 14 14 ASN C C 14 176.213 176.213 175.735 0.478 19860 7992 1 19 . 1 1 14 14 ASN CA C 14 52.149 52.149 53.236 -1.087 19860 7993 1 19 . 1 1 14 14 ASN CB C 14 38.727 38.727 38.234 0.492 19860 7994 1 19 . 1 1 14 14 ASN H H 14 7.737 7.737 8.141 -0.404 19860 7995 1 19 . 1 1 15 15 GLY N N 15 110.453 110.453 105.822 4.631 19860 7996 1 19 . 1 1 15 15 GLY C C 15 172.968 172.968 173.508 -0.540 19860 7997 1 19 . 1 1 15 15 GLY CA C 15 45.136 45.136 44.849 0.287 19860 7998 1 19 . 1 1 15 15 GLY H H 15 8.744 8.744 8.283 0.461 19860 7999 1 19 . 1 1 16 16 LYS N N 16 116.557 116.557 118.174 -1.617 19860 8000 1 19 . 1 1 16 16 LYS HA H 16 4.992 4.992 4.787 0.205 19860 8001 1 19 . 1 1 16 16 LYS C C 16 175.214 175.214 173.826 1.388 19860 8002 1 19 . 1 1 16 16 LYS CA C 16 54.653 54.653 54.837 -0.184 19860 8003 1 19 . 1 1 16 16 LYS CB C 16 35.359 35.359 35.364 -0.005 19860 8004 1 19 . 1 1 16 16 LYS H H 16 7.559 7.559 7.250 0.309 19860 8005 1 19 . 1 1 17 17 TYR N N 17 117.020 117.020 117.072 -0.052 19860 8006 1 19 . 1 1 17 17 TYR HA H 17 5.551 5.551 4.844 0.707 19860 8007 1 19 . 1 1 17 17 TYR C C 17 175.491 175.491 174.532 0.959 19860 8008 1 19 . 1 1 17 17 TYR CA C 17 56.255 56.255 57.050 -0.795 19860 8009 1 19 . 1 1 17 17 TYR CB C 17 42.270 42.270 43.219 -0.949 19860 8010 1 19 . 1 1 17 17 TYR H H 17 8.577 8.577 9.046 -0.469 19860 8011 1 19 . 1 1 18 18 VAL N N 18 121.032 121.032 120.781 0.251 19860 8012 1 19 . 1 1 18 18 VAL HA H 18 5.027 5.027 4.594 0.433 19860 8013 1 19 . 1 1 18 18 VAL C C 18 174.046 174.046 174.220 -0.174 19860 8014 1 19 . 1 1 18 18 VAL CA C 18 59.711 59.711 60.039 -0.328 19860 8015 1 19 . 1 1 18 18 VAL CB C 18 35.076 35.076 34.155 0.921 19860 8016 1 19 . 1 1 18 18 VAL H H 18 8.829 8.829 8.510 0.319 19860 8017 1 19 . 1 1 19 19 LYS N N 19 130.251 130.251 129.617 0.634 19860 8018 1 19 . 1 1 19 19 LYS HA H 19 4.055 4.055 4.214 -0.159 19860 8019 1 19 . 1 1 19 19 LYS C C 19 175.628 175.628 175.174 0.454 19860 8020 1 19 . 1 1 19 19 LYS CA C 19 56.975 56.975 55.612 1.363 19860 8021 1 19 . 1 1 19 19 LYS CB C 19 33.380 33.380 33.136 0.244 19860 8022 1 19 . 1 1 19 19 LYS H H 19 8.388 8.388 8.445 -0.057 19860 8023 1 19 . 1 1 20 20 VAL N N 20 127.530 127.530 125.204 2.326 19860 8024 1 19 . 1 1 20 20 VAL HA H 20 4.946 4.946 4.439 0.507 19860 8025 1 19 . 1 1 20 20 VAL C C 20 173.581 173.581 173.701 -0.120 19860 8026 1 19 . 1 1 20 20 VAL CA C 20 60.483 60.483 59.644 0.839 19860 8027 1 19 . 1 1 20 20 VAL CB C 20 35.665 35.665 35.556 0.109 19860 8028 1 19 . 1 1 20 20 VAL H H 20 9.428 9.428 9.094 0.334 19860 8029 1 19 . 1 1 21 21 ARG N N 21 125.804 125.804 129.280 -3.476 19860 8030 1 19 . 1 1 21 21 ARG HA H 21 4.716 4.716 4.570 0.146 19860 8031 1 19 . 1 1 21 21 ARG C C 21 174.905 174.905 175.412 -0.507 19860 8032 1 19 . 1 1 21 21 ARG CA C 21 54.864 54.864 55.056 -0.192 19860 8033 1 19 . 1 1 21 21 ARG CB C 21 32.881 32.881 30.489 2.392 19860 8034 1 19 . 1 1 21 21 ARG H H 21 9.084 9.084 8.698 0.386 19860 8035 1 19 . 1 1 22 22 ILE N N 22 124.167 124.167 127.240 -3.073 19860 8036 1 19 . 1 1 22 22 ILE HA H 22 4.624 4.624 4.158 0.466 19860 8037 1 19 . 1 1 22 22 ILE C C 22 175.887 175.887 175.151 0.736 19860 8038 1 19 . 1 1 22 22 ILE CA C 22 59.717 59.717 59.310 0.407 19860 8039 1 19 . 1 1 22 22 ILE CB C 22 38.699 38.699 36.398 2.301 19860 8040 1 19 . 1 1 22 22 ILE H H 22 8.554 8.554 8.974 -0.420 19860 8041 1 19 . 1 1 23 23 LEU N N 23 128.981 128.981 130.385 -1.404 19860 8042 1 19 . 1 1 23 23 LEU HA H 23 4.663 4.663 4.390 0.273 19860 8043 1 19 . 1 1 23 23 LEU C C 23 176.174 176.174 175.184 0.990 19860 8044 1 19 . 1 1 23 23 LEU CA C 23 53.897 53.897 53.971 -0.074 19860 8045 1 19 . 1 1 23 23 LEU CB C 23 43.556 43.556 41.369 2.187 19860 8046 1 19 . 1 1 23 23 LEU H H 23 8.835 8.835 9.211 -0.376 19860 8047 1 19 . 1 1 24 24 LYS N N 24 122.797 122.797 126.934 -4.137 19860 8048 1 19 . 1 1 24 24 LYS HA H 24 4.568 4.568 4.494 0.074 19860 8049 1 19 . 1 1 24 24 LYS C C 24 176.407 176.407 175.535 0.872 19860 8050 1 19 . 1 1 24 24 LYS CA C 24 55.808 55.808 55.529 0.279 19860 8051 1 19 . 1 1 24 24 LYS CB C 24 34.082 34.082 33.379 0.703 19860 8052 1 19 . 1 1 24 24 LYS H H 24 8.566 8.566 8.823 -0.258 19860 8053 1 19 . 1 1 25 25 SER N N 25 118.453 118.453 124.131 -5.678 19860 8054 1 19 . 1 1 25 25 SER HA H 25 4.477 4.477 4.819 -0.342 19860 8055 1 19 . 1 1 25 25 SER C C 25 175.038 175.038 174.183 0.855 19860 8056 1 19 . 1 1 25 25 SER CA C 25 58.146 58.146 57.561 0.585 19860 8057 1 19 . 1 1 25 25 SER CB C 25 63.977 63.977 62.912 1.065 19860 8058 1 19 . 1 1 25 25 SER H H 25 8.668 8.668 9.197 -0.529 19860 8059 1 19 . 1 1 26 26 ARG N N 26 123.008 123.008 126.254 -3.246 19860 8060 1 19 . 1 1 26 26 ARG HA H 26 4.284 4.284 4.274 0.010 19860 8061 1 19 . 1 1 26 26 ARG C C 26 176.640 176.640 176.901 -0.261 19860 8062 1 19 . 1 1 26 26 ARG CA C 26 57.171 57.171 59.137 -1.966 19860 8063 1 19 . 1 1 26 26 ARG CB C 26 30.748 30.748 30.498 0.250 19860 8064 1 19 . 1 1 26 26 ARG H H 26 8.667 8.667 8.234 0.433 19860 8065 1 19 . 1 1 27 27 ASP N N 27 118.281 118.281 118.187 0.094 19860 8066 1 19 . 1 1 27 27 ASP HA H 27 4.598 4.598 4.432 0.166 19860 8067 1 19 . 1 1 27 27 ASP C C 27 176.028 176.028 176.164 -0.136 19860 8068 1 19 . 1 1 27 27 ASP CA C 27 54.657 54.657 56.015 -1.358 19860 8069 1 19 . 1 1 27 27 ASP CB C 27 41.416 41.416 39.528 1.888 19860 8070 1 19 . 1 1 27 27 ASP H H 27 8.246 8.246 8.486 -0.240 19860 8071 1 19 . 1 1 28 28 ASP N N 28 118.646 118.646 118.522 0.124 19860 8072 1 19 . 1 1 28 28 ASP HA H 28 4.563 4.563 4.594 -0.031 19860 8073 1 19 . 1 1 28 28 ASP C C 28 176.165 176.165 175.283 0.882 19860 8074 1 19 . 1 1 28 28 ASP CA C 28 54.822 54.822 53.878 0.944 19860 8075 1 19 . 1 1 28 28 ASP CB C 28 41.150 41.150 40.461 0.690 19860 8076 1 19 . 1 1 28 28 ASP H H 28 8.034 8.034 7.636 0.398 19860 8077 1 19 . 1 1 29 29 ASN N N 29 117.519 117.519 119.116 -1.597 19860 8078 1 19 . 1 1 29 29 ASN HA H 29 4.734 4.734 4.407 0.327 19860 8079 1 19 . 1 1 29 29 ASN C C 29 175.116 175.116 174.173 0.943 19860 8080 1 19 . 1 1 29 29 ASN CA C 29 53.951 53.951 53.898 0.053 19860 8081 1 19 . 1 1 29 29 ASN CB C 29 38.779 38.779 37.097 1.682 19860 8082 1 19 . 1 1 29 29 ASN H H 29 8.473 8.473 7.838 0.635 19860 8083 1 19 . 1 1 30 30 SER N N 30 114.910 114.910 114.560 0.350 19860 8084 1 19 . 1 1 30 30 SER HA H 30 4.493 4.493 4.061 0.432 19860 8085 1 19 . 1 1 30 30 SER C C 30 174.235 174.235 173.805 0.430 19860 8086 1 19 . 1 1 30 30 SER CA C 30 58.669 58.669 59.667 -0.999 19860 8087 1 19 . 1 1 30 30 SER CB C 30 64.403 64.403 62.698 1.705 19860 8088 1 19 . 1 1 30 30 SER H H 30 8.206 8.206 8.259 -0.053 19860 8089 1 19 . 1 1 31 31 VAL N N 31 121.640 121.640 124.412 -2.772 19860 8090 1 19 . 1 1 31 31 VAL HA H 31 4.090 4.090 4.278 -0.188 19860 8091 1 19 . 1 1 31 31 VAL C C 31 175.873 175.873 174.377 1.496 19860 8092 1 19 . 1 1 31 31 VAL CA C 31 62.939 62.939 61.082 1.857 19860 8093 1 19 . 1 1 31 31 VAL CB C 31 32.878 32.878 33.634 -0.756 19860 8094 1 19 . 1 1 31 31 VAL H H 31 8.242 8.242 8.686 -0.444 19860 8095 1 19 . 1 1 32 32 GLU N N 32 125.144 125.144 127.795 -2.651 19860 8096 1 19 . 1 1 32 32 GLU HA H 32 4.417 4.417 5.173 -0.756 19860 8097 1 19 . 1 1 32 32 GLU C C 32 175.532 175.532 175.389 0.143 19860 8098 1 19 . 1 1 32 32 GLU CA C 32 56.886 56.886 55.002 1.884 19860 8099 1 19 . 1 1 32 32 GLU CB C 32 31.059 31.059 30.872 0.187 19860 8100 1 19 . 1 1 32 32 GLU H H 32 8.679 8.679 8.599 0.080 19860 8101 1 19 . 1 1 33 33 LYS N N 33 120.222 120.222 125.054 -4.832 19860 8102 1 19 . 1 1 33 33 LYS HA H 33 4.574 4.574 4.505 0.069 19860 8103 1 19 . 1 1 33 33 LYS C C 33 174.194 174.194 174.858 -0.664 19860 8104 1 19 . 1 1 33 33 LYS CA C 33 55.324 55.324 54.288 1.036 19860 8105 1 19 . 1 1 33 33 LYS CB C 33 35.258 35.258 34.611 0.647 19860 8106 1 19 . 1 1 33 33 LYS H H 33 8.229 8.229 8.747 -0.518 19860 8107 1 19 . 1 1 34 34 TYR N N 34 121.014 121.014 120.524 0.490 19860 8108 1 19 . 1 1 34 34 TYR HA H 34 4.910 4.910 4.882 0.028 19860 8109 1 19 . 1 1 34 34 TYR C C 34 175.667 175.667 176.646 -0.979 19860 8110 1 19 . 1 1 34 34 TYR CA C 34 56.984 56.984 57.363 -0.379 19860 8111 1 19 . 1 1 34 34 TYR CB C 34 40.036 40.036 39.744 0.292 19860 8112 1 19 . 1 1 34 34 TYR H H 34 8.552 8.552 8.447 0.105 19860 8113 1 19 . 1 1 35 35 VAL N N 35 124.624 124.624 121.531 3.093 19860 8114 1 19 . 1 1 35 35 VAL HA H 35 4.301 4.301 3.962 0.339 19860 8115 1 19 . 1 1 35 35 VAL C C 35 175.490 175.490 177.005 -1.515 19860 8116 1 19 . 1 1 35 35 VAL CA C 35 61.869 61.869 62.245 -0.376 19860 8117 1 19 . 1 1 35 35 VAL CB C 35 33.510 33.510 33.279 0.231 19860 8118 1 19 . 1 1 35 35 VAL H H 35 9.337 9.337 8.347 0.990 19860 8119 1 19 . 1 1 36 36 LEU N N 36 127.814 127.814 124.997 2.817 19860 8120 1 19 . 1 1 36 36 LEU HA H 36 4.326 4.326 4.397 -0.071 19860 8121 1 19 . 1 1 36 36 LEU C C 36 177.355 177.355 177.063 0.292 19860 8122 1 19 . 1 1 36 36 LEU CA C 36 56.612 56.612 55.787 0.825 19860 8123 1 19 . 1 1 36 36 LEU CB C 36 41.899 41.899 40.120 1.779 19860 8124 1 19 . 1 1 36 36 LEU H H 36 8.845 8.845 8.578 0.267 19860 8125 1 19 . 1 1 37 37 THR N N 37 112.016 112.016 113.156 -1.140 19860 8126 1 19 . 1 1 37 37 THR HA H 37 4.904 4.904 4.274 0.630 19860 8127 1 19 . 1 1 37 37 THR C C 37 173.228 173.228 174.652 -1.424 19860 8128 1 19 . 1 1 37 37 THR CA C 37 61.023 61.023 61.680 -0.657 19860 8129 1 19 . 1 1 37 37 THR CB C 37 70.829 70.829 69.814 1.015 19860 8130 1 19 . 1 1 37 37 THR H H 37 7.374 7.374 7.608 -0.234 19860 8131 1 19 . 1 1 38 38 SER N N 38 111.049 111.049 120.406 -9.357 19860 8132 1 19 . 1 1 38 38 SER HA H 38 4.635 4.635 4.660 -0.025 19860 8133 1 19 . 1 1 38 38 SER C C 38 174.606 174.606 173.786 0.820 19860 8134 1 19 . 1 1 38 38 SER CA C 38 57.957 57.957 56.961 0.996 19860 8135 1 19 . 1 1 38 38 SER CB C 38 63.849 63.849 64.118 -0.269 19860 8136 1 19 . 1 1 38 38 SER H H 38 8.387 8.387 8.366 0.021 19860 8137 1 19 . 1 1 39 39 HIS N N 39 122.230 122.230 122.454 -0.224 19860 8138 1 19 . 1 1 39 39 HIS HA H 39 4.768 4.768 4.431 0.337 19860 8139 1 19 . 1 1 39 39 HIS C C 39 173.143 173.143 174.774 -1.631 19860 8140 1 19 . 1 1 39 39 HIS CA C 39 56.328 56.328 56.822 -0.494 19860 8141 1 19 . 1 1 39 39 HIS CB C 39 29.938 29.938 30.486 -0.548 19860 8142 1 19 . 1 1 39 39 HIS H H 39 8.424 8.424 7.540 0.884 19860 8143 1 19 . 1 1 40 40 VAL N N 40 126.582 126.582 121.015 5.567 19860 8144 1 19 . 1 1 40 40 VAL HA H 40 4.915 4.915 4.966 -0.051 19860 8145 1 19 . 1 1 40 40 VAL C C 40 175.763 175.763 175.519 0.244 19860 8146 1 19 . 1 1 40 40 VAL CA C 40 60.612 60.612 60.162 0.450 19860 8147 1 19 . 1 1 40 40 VAL CB C 40 34.085 34.085 34.156 -0.071 19860 8148 1 19 . 1 1 40 40 VAL H H 40 8.364 8.364 8.452 -0.088 19860 8149 1 19 . 1 1 41 41 SER N N 41 121.067 121.067 119.416 1.651 19860 8150 1 19 . 1 1 41 41 SER HA H 41 4.947 4.947 4.929 0.018 19860 8151 1 19 . 1 1 41 41 SER C C 41 174.505 174.505 173.609 0.896 19860 8152 1 19 . 1 1 41 41 SER CA C 41 57.001 57.001 57.269 -0.268 19860 8153 1 19 . 1 1 41 41 SER CB C 41 65.504 65.504 65.919 -0.415 19860 8154 1 19 . 1 1 41 41 SER H H 41 9.297 9.297 9.094 0.203 19860 8155 1 19 . 1 1 42 42 LYS N N 42 123.812 123.812 122.723 1.089 19860 8156 1 19 . 1 1 42 42 LYS HA H 42 4.905 4.905 4.316 0.589 19860 8157 1 19 . 1 1 42 42 LYS C C 42 175.037 175.037 175.345 -0.308 19860 8158 1 19 . 1 1 42 42 LYS CA C 42 56.600 56.600 56.332 0.268 19860 8159 1 19 . 1 1 42 42 LYS CB C 42 32.827 32.827 32.780 0.047 19860 8160 1 19 . 1 1 42 42 LYS H H 42 8.962 8.962 8.556 0.406 19860 8161 1 19 . 1 1 43 43 ASN N N 43 115.779 115.779 118.031 -2.252 19860 8162 1 19 . 1 1 43 43 ASN HA H 43 4.906 4.906 4.729 0.177 19860 8163 1 19 . 1 1 43 43 ASN C C 43 173.479 173.479 174.457 -0.978 19860 8164 1 19 . 1 1 43 43 ASN CA C 43 51.840 51.840 52.853 -1.013 19860 8165 1 19 . 1 1 43 43 ASN CB C 43 40.763 40.763 39.806 0.957 19860 8166 1 19 . 1 1 43 43 ASN H H 43 8.053 8.053 8.038 0.015 19860 8167 1 19 . 1 1 44 44 ARG N N 44 124.471 124.471 121.998 2.473 19860 8168 1 19 . 1 1 44 44 ARG HA H 44 3.217 3.217 4.331 -1.114 19860 8169 1 19 . 1 1 44 44 ARG C C 44 173.869 173.869 173.896 -0.027 19860 8170 1 19 . 1 1 44 44 ARG CA C 44 54.034 54.034 53.368 0.666 19860 8171 1 19 . 1 1 44 44 ARG CB C 44 29.917 29.917 30.493 -0.576 19860 8172 1 19 . 1 1 44 44 ARG H H 44 8.565 8.565 8.355 0.210 19860 8173 1 19 . 1 1 45 45 PRO HA H 45 4.123 4.123 4.250 -0.127 19860 8174 1 19 . 1 1 45 45 PRO C C 45 176.434 176.434 175.618 0.816 19860 8175 1 19 . 1 1 45 45 PRO CA C 45 62.292 62.292 62.289 0.003 19860 8176 1 19 . 1 1 45 45 PRO CB C 45 32.110 32.110 32.163 -0.054 19860 8177 1 19 . 1 1 46 46 LYS N N 46 122.529 122.529 121.589 0.940 19860 8178 1 19 . 1 1 46 46 LYS HA H 46 4.110 4.110 4.345 -0.235 19860 8179 1 19 . 1 1 46 46 LYS C C 46 176.931 176.931 176.683 0.248 19860 8180 1 19 . 1 1 46 46 LYS CA C 46 57.000 57.000 56.028 0.972 19860 8181 1 19 . 1 1 46 46 LYS CB C 46 33.095 33.095 32.998 0.097 19860 8182 1 19 . 1 1 46 46 LYS H H 46 8.470 8.470 8.539 -0.069 19860 8183 1 19 . 1 1 47 47 ASN N N 47 117.122 117.122 117.029 0.093 19860 8184 1 19 . 1 1 47 47 ASN HA H 47 4.589 4.589 4.671 -0.082 19860 8185 1 19 . 1 1 47 47 ASN C C 47 174.011 174.011 174.695 -0.684 19860 8186 1 19 . 1 1 47 47 ASN CA C 47 53.493 53.493 53.081 0.412 19860 8187 1 19 . 1 1 47 47 ASN CB C 47 37.868 37.868 38.996 -1.128 19860 8188 1 19 . 1 1 47 47 ASN H H 47 8.745 8.745 7.930 0.815 19860 8189 1 19 . 1 1 48 48 ALA N N 48 119.908 119.908 121.692 -1.784 19860 8190 1 19 . 1 1 48 48 ALA HA H 48 4.609 4.609 4.509 0.100 19860 8191 1 19 . 1 1 48 48 ALA C C 48 176.506 176.506 176.083 0.423 19860 8192 1 19 . 1 1 48 48 ALA CA C 48 51.136 51.136 50.930 0.206 19860 8193 1 19 . 1 1 48 48 ALA CB C 48 22.389 22.389 21.634 0.755 19860 8194 1 19 . 1 1 48 48 ALA H H 48 7.394 7.394 7.255 0.139 19860 8195 1 19 . 1 1 49 49 ILE N N 49 123.192 123.192 121.210 1.982 19860 8196 1 19 . 1 1 49 49 ILE HA H 49 4.140 4.140 4.335 -0.195 19860 8197 1 19 . 1 1 49 49 ILE C C 49 174.731 174.731 175.466 -0.735 19860 8198 1 19 . 1 1 49 49 ILE CA C 49 61.597 61.597 60.393 1.204 19860 8199 1 19 . 1 1 49 49 ILE CB C 49 38.166 38.166 37.902 0.264 19860 8200 1 19 . 1 1 49 49 ILE H H 49 8.878 8.878 8.731 0.147 19860 8201 1 19 . 1 1 50 50 VAL N N 50 127.552 127.552 123.027 4.525 19860 8202 1 19 . 1 1 50 50 VAL HA H 50 5.289 5.289 5.563 -0.274 19860 8203 1 19 . 1 1 50 50 VAL C C 50 176.411 176.411 175.287 1.124 19860 8204 1 19 . 1 1 50 50 VAL CA C 50 60.499 60.499 60.107 0.392 19860 8205 1 19 . 1 1 50 50 VAL CB C 50 33.890 33.890 33.870 0.020 19860 8206 1 19 . 1 1 50 50 VAL H H 50 8.371 8.371 8.238 0.133 19860 8207 1 19 . 1 1 51 51 ILE N N 51 126.906 126.906 127.382 -0.476 19860 8208 1 19 . 1 1 51 51 ILE HA H 51 4.691 4.691 4.462 0.229 19860 8209 1 19 . 1 1 51 51 ILE C C 51 175.322 175.322 175.246 0.076 19860 8210 1 19 . 1 1 51 51 ILE CA C 51 59.439 59.439 60.209 -0.770 19860 8211 1 19 . 1 1 51 51 ILE CB C 51 41.189 41.189 40.905 0.284 19860 8212 1 19 . 1 1 51 51 ILE H H 51 9.314 9.314 9.199 0.115 19860 8213 1 19 . 1 1 52 52 LYS N N 52 123.523 123.523 127.483 -3.960 19860 8214 1 19 . 1 1 52 52 LYS HA H 52 4.686 4.686 4.575 0.111 19860 8215 1 19 . 1 1 52 52 LYS C C 52 178.237 178.237 177.948 0.289 19860 8216 1 19 . 1 1 52 52 LYS CA C 52 56.120 56.120 56.238 -0.118 19860 8217 1 19 . 1 1 52 52 LYS CB C 52 33.392 33.392 33.629 -0.237 19860 8218 1 19 . 1 1 52 52 LYS H H 52 8.737 8.737 8.785 -0.048 19860 8219 1 19 . 1 1 53 53 MET N N 53 119.701 119.701 123.140 -3.439 19860 8220 1 19 . 1 1 53 53 MET HA H 53 3.908 3.908 4.022 -0.114 19860 8221 1 19 . 1 1 53 53 MET C C 53 177.401 177.401 178.130 -0.729 19860 8222 1 19 . 1 1 53 53 MET CA C 53 58.725 58.725 60.234 -1.509 19860 8223 1 19 . 1 1 53 53 MET CB C 53 33.383 33.383 32.378 1.005 19860 8224 1 19 . 1 1 53 53 MET H H 53 8.799 8.799 8.596 0.203 19860 8225 1 19 . 1 1 54 54 ASP N N 54 113.357 113.357 115.784 -2.427 19860 8226 1 19 . 1 1 54 54 ASP HA H 54 4.288 4.288 4.353 -0.065 19860 8227 1 19 . 1 1 54 54 ASP C C 54 176.649 176.649 177.011 -0.362 19860 8228 1 19 . 1 1 54 54 ASP CA C 54 56.682 56.682 56.014 0.668 19860 8229 1 19 . 1 1 54 54 ASP CB C 54 40.670 40.670 40.710 -0.040 19860 8230 1 19 . 1 1 54 54 ASP H H 54 8.262 8.262 8.502 -0.240 19860 8231 1 19 . 1 1 55 55 ASN N N 55 114.935 114.935 116.632 -1.697 19860 8232 1 19 . 1 1 55 55 ASN HA H 55 5.001 5.001 4.666 0.335 19860 8233 1 19 . 1 1 55 55 ASN C C 55 175.032 175.032 175.733 -0.701 19860 8234 1 19 . 1 1 55 55 ASN CA C 55 52.897 52.897 54.075 -1.178 19860 8235 1 19 . 1 1 55 55 ASN CB C 55 39.184 39.184 39.480 -0.296 19860 8236 1 19 . 1 1 55 55 ASN H H 55 7.971 7.971 7.817 0.154 19860 8237 1 19 . 1 1 56 56 LEU N N 56 120.385 120.385 122.626 -2.241 19860 8238 1 19 . 1 1 56 56 LEU HA H 56 4.488 4.488 4.491 -0.003 19860 8239 1 19 . 1 1 56 56 LEU C C 56 174.131 174.131 174.710 -0.579 19860 8240 1 19 . 1 1 56 56 LEU CA C 56 52.912 52.912 51.829 1.083 19860 8241 1 19 . 1 1 56 56 LEU CB C 56 41.958 41.958 40.813 1.145 19860 8242 1 19 . 1 1 56 56 LEU H H 56 7.331 7.331 7.562 -0.231 19860 8243 1 19 . 1 1 57 57 PRO HA H 57 4.617 4.617 4.495 0.122 19860 8244 1 19 . 1 1 57 57 PRO C C 57 178.627 178.627 177.730 0.897 19860 8245 1 19 . 1 1 57 57 PRO CA C 57 62.751 62.751 62.576 0.175 19860 8246 1 19 . 1 1 57 57 PRO CB C 57 32.718 32.718 32.417 0.301 19860 8247 1 19 . 1 1 58 58 ILE N N 58 125.295 125.295 119.051 6.244 19860 8248 1 19 . 1 1 58 58 ILE HA H 58 3.783 3.783 3.778 0.005 19860 8249 1 19 . 1 1 58 58 ILE C C 58 176.776 176.776 177.677 -0.901 19860 8250 1 19 . 1 1 58 58 ILE CA C 58 64.583 64.583 63.984 0.598 19860 8251 1 19 . 1 1 58 58 ILE CB C 58 37.959 37.959 37.445 0.514 19860 8252 1 19 . 1 1 58 58 ILE H H 58 8.882 8.882 8.378 0.504 19860 8253 1 19 . 1 1 59 59 GLU N N 59 118.869 118.869 120.090 -1.221 19860 8254 1 19 . 1 1 59 59 GLU HA H 59 4.254 4.254 4.037 0.217 19860 8255 1 19 . 1 1 59 59 GLU C C 59 179.370 179.370 178.977 0.393 19860 8256 1 19 . 1 1 59 59 GLU CA C 59 59.757 59.757 59.584 0.173 19860 8257 1 19 . 1 1 59 59 GLU CB C 59 29.053 29.053 29.038 0.015 19860 8258 1 19 . 1 1 59 59 GLU H H 59 9.348 9.348 8.680 0.668 19860 8259 1 19 . 1 1 60 60 VAL N N 60 118.990 118.990 119.754 -0.764 19860 8260 1 19 . 1 1 60 60 VAL HA H 60 3.772 3.772 3.562 0.210 19860 8261 1 19 . 1 1 60 60 VAL C C 60 177.451 177.451 177.791 -0.340 19860 8262 1 19 . 1 1 60 60 VAL CA C 60 65.331 65.331 66.233 -0.902 19860 8263 1 19 . 1 1 60 60 VAL CB C 60 31.869 31.869 31.567 0.302 19860 8264 1 19 . 1 1 60 60 VAL H H 60 7.290 7.290 7.495 -0.205 19860 8265 1 19 . 1 1 61 61 LYS N N 61 120.824 120.824 119.255 1.569 19860 8266 1 19 . 1 1 61 61 LYS HA H 61 3.782 3.782 3.909 -0.127 19860 8267 1 19 . 1 1 61 61 LYS C C 61 179.444 179.444 178.803 0.641 19860 8268 1 19 . 1 1 61 61 LYS CA C 61 61.060 61.060 59.767 1.293 19860 8269 1 19 . 1 1 61 61 LYS CB C 61 32.196 32.196 31.904 0.292 19860 8270 1 19 . 1 1 61 61 LYS H H 61 8.043 8.043 7.758 0.285 19860 8271 1 19 . 1 1 62 62 ASP N N 62 119.231 119.231 120.542 -1.311 19860 8272 1 19 . 1 1 62 62 ASP HA H 62 4.427 4.427 4.348 0.079 19860 8273 1 19 . 1 1 62 62 ASP C C 62 178.420 178.420 177.965 0.455 19860 8274 1 19 . 1 1 62 62 ASP CA C 62 57.851 57.851 57.519 0.332 19860 8275 1 19 . 1 1 62 62 ASP CB C 62 40.780 40.780 40.733 0.047 19860 8276 1 19 . 1 1 62 62 ASP H H 62 8.766 8.766 8.228 0.538 19860 8277 1 19 . 1 1 63 63 LYS N N 63 119.623 119.623 119.468 0.155 19860 8278 1 19 . 1 1 63 63 LYS HA H 63 4.025 4.025 4.028 -0.003 19860 8279 1 19 . 1 1 63 63 LYS C C 63 178.866 178.866 179.256 -0.390 19860 8280 1 19 . 1 1 63 63 LYS CA C 63 59.667 59.667 59.436 0.231 19860 8281 1 19 . 1 1 63 63 LYS CB C 63 32.929 32.929 32.485 0.444 19860 8282 1 19 . 1 1 63 63 LYS H H 63 7.391 7.391 7.549 -0.158 19860 8283 1 19 . 1 1 64 64 LEU N N 64 118.806 118.806 119.820 -1.014 19860 8284 1 19 . 1 1 64 64 LEU HA H 64 4.216 4.216 3.747 0.469 19860 8285 1 19 . 1 1 64 64 LEU C C 64 178.793 178.793 178.551 0.242 19860 8286 1 19 . 1 1 64 64 LEU CA C 64 58.011 58.011 57.851 0.160 19860 8287 1 19 . 1 1 64 64 LEU CB C 64 42.251 42.251 41.301 0.950 19860 8288 1 19 . 1 1 64 64 LEU H H 64 8.357 8.357 7.930 0.427 19860 8289 1 19 . 1 1 65 65 THR N N 65 115.102 115.102 114.805 0.297 19860 8290 1 19 . 1 1 65 65 THR HA H 65 3.920 3.920 3.778 0.142 19860 8291 1 19 . 1 1 65 65 THR C C 65 176.410 176.410 176.670 -0.260 19860 8292 1 19 . 1 1 65 65 THR CA C 65 66.705 66.705 66.781 -0.076 19860 8293 1 19 . 1 1 65 65 THR CB C 65 68.876 68.876 68.319 0.558 19860 8294 1 19 . 1 1 65 65 THR H H 65 8.343 8.343 8.311 0.032 19860 8295 1 19 . 1 1 66 66 ARG N N 66 119.405 119.405 119.728 -0.323 19860 8296 1 19 . 1 1 66 66 ARG HA H 66 4.067 4.067 4.145 -0.078 19860 8297 1 19 . 1 1 66 66 ARG C C 66 177.988 177.988 178.075 -0.087 19860 8298 1 19 . 1 1 66 66 ARG CA C 66 58.961 58.961 58.710 0.251 19860 8299 1 19 . 1 1 66 66 ARG CB C 66 30.302 30.302 30.217 0.085 19860 8300 1 19 . 1 1 66 66 ARG H H 66 7.832 7.832 7.882 -0.050 19860 8301 1 19 . 1 1 67 67 PHE N N 67 117.304 117.304 120.168 -2.864 19860 8302 1 19 . 1 1 67 67 PHE HA H 67 4.323 4.323 4.309 0.014 19860 8303 1 19 . 1 1 67 67 PHE C C 67 177.141 177.141 176.228 0.913 19860 8304 1 19 . 1 1 67 67 PHE CA C 67 59.989 59.989 60.898 -0.909 19860 8305 1 19 . 1 1 67 67 PHE CB C 67 39.269 39.269 40.099 -0.830 19860 8306 1 19 . 1 1 67 67 PHE H H 67 8.190 8.190 8.017 0.173 19860 8307 1 19 . 1 1 68 68 PHE N N 68 114.297 114.297 111.722 2.575 19860 8308 1 19 . 1 1 68 68 PHE HA H 68 4.696 4.696 4.834 -0.138 19860 8309 1 19 . 1 1 68 68 PHE C C 68 175.969 175.969 174.782 1.187 19860 8310 1 19 . 1 1 68 68 PHE CA C 68 59.112 59.112 57.041 2.071 19860 8311 1 19 . 1 1 68 68 PHE CB C 68 40.100 40.100 39.389 0.711 19860 8312 1 19 . 1 1 68 68 PHE H H 68 8.087 8.087 7.637 0.450 19860 8313 1 19 . 1 1 69 69 LEU N N 69 119.594 119.594 122.580 -2.986 19860 8314 1 19 . 1 1 69 69 LEU HA H 69 4.476 4.476 4.752 -0.276 19860 8315 1 19 . 1 1 69 69 LEU C C 69 177.425 177.425 178.069 -0.644 19860 8316 1 19 . 1 1 69 69 LEU CA C 69 55.805 55.805 55.835 -0.030 19860 8317 1 19 . 1 1 69 69 LEU CB C 69 41.399 41.399 43.689 -2.290 19860 8318 1 19 . 1 1 69 69 LEU H H 69 7.823 7.823 7.341 0.482 19860 8319 1 19 . 1 1 70 70 LEU N N 70 119.723 119.723 116.835 2.888 19860 8320 1 19 . 1 1 70 70 LEU HA H 70 4.341 4.341 3.797 0.544 19860 8321 1 19 . 1 1 70 70 LEU C C 70 177.443 177.443 176.824 0.619 19860 8322 1 19 . 1 1 70 70 LEU CA C 70 55.288 55.288 57.062 -1.774 19860 8323 1 19 . 1 1 70 70 LEU CB C 70 42.205 42.205 41.598 0.607 19860 8324 1 19 . 1 1 70 70 LEU H H 70 7.905 7.905 8.546 -0.641 19860 8325 1 19 . 1 1 71 71 GLU N N 71 120.533 120.533 119.665 0.868 19860 8326 1 19 . 1 1 71 71 GLU HA H 71 4.200 4.200 4.557 -0.357 19860 8327 1 19 . 1 1 71 71 GLU C C 71 176.250 176.250 174.916 1.334 19860 8328 1 19 . 1 1 71 71 GLU CA C 71 56.609 56.609 56.263 0.346 19860 8329 1 19 . 1 1 71 71 GLU CB C 71 30.475 30.475 30.292 0.183 19860 8330 1 19 . 1 1 71 71 GLU H H 71 8.244 8.244 8.170 0.074 19860 8331 1 19 . 1 1 72 72 HIS N N 72 119.783 119.783 123.488 -3.705 19860 8332 1 19 . 1 1 72 72 HIS HA H 72 4.623 4.623 4.711 -0.088 19860 8333 1 19 . 1 1 72 72 HIS C C 72 174.645 174.645 174.075 0.570 19860 8334 1 19 . 1 1 72 72 HIS CA C 72 55.737 55.737 56.459 -0.722 19860 8335 1 19 . 1 1 72 72 HIS CB C 72 29.901 29.901 31.137 -1.236 19860 8336 1 19 . 1 1 72 72 HIS H H 72 8.403 8.403 8.560 -0.157 19860 8337 1 19 . 1 1 73 73 HIS N N 73 120.199 120.199 117.541 2.658 19860 8338 1 19 . 1 1 73 73 HIS HA H 73 4.625 4.625 4.502 0.123 19860 8339 1 19 . 1 1 73 73 HIS C C 73 174.552 174.552 173.651 0.901 19860 8340 1 19 . 1 1 73 73 HIS CA C 73 55.754 55.754 56.812 -1.058 19860 8341 1 19 . 1 1 73 73 HIS CB C 73 29.976 29.976 32.873 -2.897 19860 8342 1 19 . 1 1 73 73 HIS H H 73 8.539 8.539 7.889 0.650 19860 8343 1 19 . 1 1 74 74 HIS N N 74 120.457 120.457 121.474 -1.017 19860 8344 1 19 . 1 1 74 74 HIS HA H 74 4.655 4.655 4.145 0.510 19860 8345 1 19 . 1 1 74 74 HIS C C 74 174.638 174.638 173.520 1.118 19860 8346 1 19 . 1 1 74 74 HIS CA C 74 55.771 55.771 57.120 -1.349 19860 8347 1 19 . 1 1 74 74 HIS CB C 74 29.916 29.916 30.486 -0.570 19860 8348 1 19 . 1 1 74 74 HIS H H 74 8.681 8.681 7.936 0.745 19860 8349 1 19 . 1 1 75 75 HIS N N 75 120.782 120.782 122.234 -1.452 19860 8350 1 19 . 1 1 75 75 HIS HA H 75 4.671 4.671 4.669 0.002 19860 8351 1 19 . 1 1 75 75 HIS C C 75 174.525 174.525 174.702 -0.177 19860 8352 1 19 . 1 1 75 75 HIS CA C 75 55.758 55.758 55.608 0.150 19860 8353 1 19 . 1 1 75 75 HIS CB C 75 29.934 29.934 31.301 -1.367 19860 8354 1 19 . 1 1 75 75 HIS H H 75 8.755 8.755 7.834 0.921 19860 8355 1 19 . 1 1 76 76 HIS N N 76 120.737 120.737 118.230 2.507 19860 8356 1 19 . 1 1 76 76 HIS HA H 76 4.666 4.666 4.696 -0.030 19860 8357 1 19 . 1 1 76 76 HIS C C 76 173.873 173.873 174.455 -0.582 19860 8358 1 19 . 1 1 76 76 HIS CA C 76 55.921 55.921 56.466 -0.545 19860 8359 1 19 . 1 1 76 76 HIS CB C 76 29.848 29.848 29.781 0.067 19860 8360 1 19 . 1 1 76 76 HIS H H 76 8.693 8.693 8.802 -0.109 19860 8361 1 20 . 1 1 2 2 LEU HA H 2 4.435 4.435 4.904 -0.469 19860 8362 1 20 . 1 1 2 2 LEU C C 2 176.773 176.773 176.518 0.255 19860 8363 1 20 . 1 1 2 2 LEU CA C 2 55.299 55.299 53.622 1.677 19860 8364 1 20 . 1 1 2 2 LEU CB C 2 42.529 42.529 43.076 -0.547 19860 8365 1 20 . 1 1 3 3 LYS N N 3 123.220 123.220 120.279 2.941 19860 8366 1 20 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.342 -0.017 19860 8367 1 20 . 1 1 3 3 LYS C C 3 176.224 176.224 176.151 0.073 19860 8368 1 20 . 1 1 3 3 LYS CA C 3 56.344 56.344 57.276 -0.932 19860 8369 1 20 . 1 1 3 3 LYS CB C 3 33.335 33.335 31.790 1.545 19860 8370 1 20 . 1 1 3 3 LYS H H 3 8.520 8.520 8.699 -0.179 19860 8371 1 20 . 1 1 4 4 HIS N N 4 119.727 119.727 119.439 0.288 19860 8372 1 20 . 1 1 4 4 HIS HA H 4 4.721 4.721 4.625 0.096 19860 8373 1 20 . 1 1 4 4 HIS C C 4 175.318 175.318 173.825 1.493 19860 8374 1 20 . 1 1 4 4 HIS CA C 4 55.941 55.941 55.831 0.110 19860 8375 1 20 . 1 1 4 4 HIS CB C 4 30.636 30.636 30.680 -0.044 19860 8376 1 20 . 1 1 4 4 HIS H H 4 8.486 8.486 8.381 0.105 19860 8377 1 20 . 1 1 5 5 GLY N N 5 110.318 110.318 108.621 1.697 19860 8378 1 20 . 1 1 5 5 GLY C C 5 172.966 172.966 171.744 1.222 19860 8379 1 20 . 1 1 5 5 GLY CA C 5 45.146 45.146 44.474 0.672 19860 8380 1 20 . 1 1 5 5 GLY H H 5 8.602 8.602 7.235 1.367 19860 8381 1 20 . 1 1 6 6 LYS N N 6 120.808 120.808 119.114 1.694 19860 8382 1 20 . 1 1 6 6 LYS HA H 6 4.438 4.438 4.607 -0.169 19860 8383 1 20 . 1 1 6 6 LYS C C 6 175.168 175.168 174.246 0.922 19860 8384 1 20 . 1 1 6 6 LYS CA C 6 56.179 56.179 54.560 1.619 19860 8385 1 20 . 1 1 6 6 LYS CB C 6 34.277 34.277 36.343 -2.066 19860 8386 1 20 . 1 1 6 6 LYS H H 6 8.275 8.275 7.848 0.427 19860 8387 1 20 . 1 1 7 7 TYR N N 7 118.666 118.666 119.790 -1.124 19860 8388 1 20 . 1 1 7 7 TYR HA H 7 5.513 5.513 5.235 0.278 19860 8389 1 20 . 1 1 7 7 TYR C C 7 176.004 176.004 175.871 0.133 19860 8390 1 20 . 1 1 7 7 TYR CA C 7 56.971 56.971 57.360 -0.389 19860 8391 1 20 . 1 1 7 7 TYR CB C 7 41.032 41.032 39.403 1.629 19860 8392 1 20 . 1 1 7 7 TYR H H 7 8.351 8.351 8.541 -0.190 19860 8393 1 20 . 1 1 8 8 VAL N N 8 115.920 115.920 117.926 -2.006 19860 8394 1 20 . 1 1 8 8 VAL HA H 8 4.860 4.860 4.780 0.080 19860 8395 1 20 . 1 1 8 8 VAL C C 8 173.220 173.220 173.483 -0.263 19860 8396 1 20 . 1 1 8 8 VAL CA C 8 59.694 59.694 58.978 0.716 19860 8397 1 20 . 1 1 8 8 VAL CB C 8 35.246 35.246 35.320 -0.074 19860 8398 1 20 . 1 1 8 8 VAL H H 8 9.057 9.057 8.843 0.214 19860 8399 1 20 . 1 1 9 9 TYR N N 9 118.786 118.786 116.778 2.008 19860 8400 1 20 . 1 1 9 9 TYR HA H 9 5.515 5.515 5.700 -0.185 19860 8401 1 20 . 1 1 9 9 TYR C C 9 175.072 175.072 175.995 -0.923 19860 8402 1 20 . 1 1 9 9 TYR CA C 9 56.576 56.576 55.844 0.732 19860 8403 1 20 . 1 1 9 9 TYR CB C 9 41.532 41.532 42.271 -0.739 19860 8404 1 20 . 1 1 9 9 TYR H H 9 9.117 9.117 8.505 0.612 19860 8405 1 20 . 1 1 10 10 ILE N N 10 121.376 121.376 121.698 -0.322 19860 8406 1 20 . 1 1 10 10 ILE HA H 10 4.887 4.887 4.626 0.261 19860 8407 1 20 . 1 1 10 10 ILE C C 10 176.044 176.044 176.296 -0.252 19860 8408 1 20 . 1 1 10 10 ILE CA C 10 58.948 58.948 58.630 0.318 19860 8409 1 20 . 1 1 10 10 ILE CB C 10 38.537 38.537 37.939 0.598 19860 8410 1 20 . 1 1 10 10 ILE H H 10 9.514 9.514 8.901 0.613 19860 8411 1 20 . 1 1 11 11 ASP N N 11 126.501 126.501 128.513 -2.012 19860 8412 1 20 . 1 1 11 11 ASP HA H 11 4.390 4.390 4.370 0.020 19860 8413 1 20 . 1 1 11 11 ASP C C 11 175.850 175.850 176.298 -0.448 19860 8414 1 20 . 1 1 11 11 ASP CA C 11 53.377 53.377 54.203 -0.826 19860 8415 1 20 . 1 1 11 11 ASP CB C 11 41.808 41.808 40.086 1.722 19860 8416 1 20 . 1 1 11 11 ASP H H 11 8.676 8.676 8.850 -0.174 19860 8417 1 20 . 1 1 12 12 LEU N N 12 127.505 127.505 124.440 3.065 19860 8418 1 20 . 1 1 12 12 LEU HA H 12 4.319 4.319 4.105 0.214 19860 8419 1 20 . 1 1 12 12 LEU C C 12 176.132 176.132 177.871 -1.739 19860 8420 1 20 . 1 1 12 12 LEU CA C 12 55.439 55.439 55.678 -0.239 19860 8421 1 20 . 1 1 12 12 LEU CB C 12 40.312 40.312 42.222 -1.910 19860 8422 1 20 . 1 1 12 12 LEU H H 12 7.692 7.692 7.618 0.074 19860 8423 1 20 . 1 1 13 13 ASN N N 13 114.351 114.351 114.738 -0.387 19860 8424 1 20 . 1 1 13 13 ASN HA H 13 4.391 4.391 4.239 0.152 19860 8425 1 20 . 1 1 13 13 ASN C C 13 174.440 174.440 175.100 -0.660 19860 8426 1 20 . 1 1 13 13 ASN CA C 13 54.482 54.482 55.353 -0.871 19860 8427 1 20 . 1 1 13 13 ASN CB C 13 37.861 37.861 36.865 0.996 19860 8428 1 20 . 1 1 13 13 ASN H H 13 9.187 9.187 8.028 1.159 19860 8429 1 20 . 1 1 14 14 ASN N N 14 115.057 115.057 117.484 -2.427 19860 8430 1 20 . 1 1 14 14 ASN HA H 14 4.779 4.779 4.714 0.065 19860 8431 1 20 . 1 1 14 14 ASN C C 14 176.213 176.213 175.445 0.768 19860 8432 1 20 . 1 1 14 14 ASN CA C 14 52.149 52.149 53.555 -1.406 19860 8433 1 20 . 1 1 14 14 ASN CB C 14 38.727 38.727 38.154 0.573 19860 8434 1 20 . 1 1 14 14 ASN H H 14 7.737 7.737 7.810 -0.073 19860 8435 1 20 . 1 1 15 15 GLY N N 15 110.453 110.453 105.382 5.071 19860 8436 1 20 . 1 1 15 15 GLY C C 15 172.968 172.968 173.026 -0.058 19860 8437 1 20 . 1 1 15 15 GLY CA C 15 45.136 45.136 45.034 0.102 19860 8438 1 20 . 1 1 15 15 GLY H H 15 8.744 8.744 8.254 0.490 19860 8439 1 20 . 1 1 16 16 LYS N N 16 116.557 116.557 117.375 -0.818 19860 8440 1 20 . 1 1 16 16 LYS HA H 16 4.992 4.992 5.317 -0.325 19860 8441 1 20 . 1 1 16 16 LYS C C 16 175.214 175.214 174.154 1.060 19860 8442 1 20 . 1 1 16 16 LYS CA C 16 54.653 54.653 54.775 -0.122 19860 8443 1 20 . 1 1 16 16 LYS CB C 16 35.359 35.359 35.591 -0.232 19860 8444 1 20 . 1 1 16 16 LYS H H 16 7.559 7.559 7.380 0.179 19860 8445 1 20 . 1 1 17 17 TYR N N 17 117.020 117.020 118.928 -1.908 19860 8446 1 20 . 1 1 17 17 TYR HA H 17 5.551 5.551 4.782 0.769 19860 8447 1 20 . 1 1 17 17 TYR C C 17 175.491 175.491 174.191 1.300 19860 8448 1 20 . 1 1 17 17 TYR CA C 17 56.255 56.255 56.861 -0.606 19860 8449 1 20 . 1 1 17 17 TYR CB C 17 42.270 42.270 42.746 -0.476 19860 8450 1 20 . 1 1 17 17 TYR H H 17 8.577 8.577 8.915 -0.338 19860 8451 1 20 . 1 1 18 18 VAL N N 18 121.032 121.032 121.193 -0.161 19860 8452 1 20 . 1 1 18 18 VAL HA H 18 5.027 5.027 4.569 0.458 19860 8453 1 20 . 1 1 18 18 VAL C C 18 174.046 174.046 174.641 -0.595 19860 8454 1 20 . 1 1 18 18 VAL CA C 18 59.711 59.711 60.239 -0.528 19860 8455 1 20 . 1 1 18 18 VAL CB C 18 35.076 35.076 34.071 1.005 19860 8456 1 20 . 1 1 18 18 VAL H H 18 8.829 8.829 8.434 0.395 19860 8457 1 20 . 1 1 19 19 LYS N N 19 130.251 130.251 130.085 0.166 19860 8458 1 20 . 1 1 19 19 LYS HA H 19 4.055 4.055 4.518 -0.463 19860 8459 1 20 . 1 1 19 19 LYS C C 19 175.628 175.628 175.415 0.213 19860 8460 1 20 . 1 1 19 19 LYS CA C 19 56.975 56.975 56.169 0.806 19860 8461 1 20 . 1 1 19 19 LYS CB C 19 33.380 33.380 32.763 0.617 19860 8462 1 20 . 1 1 19 19 LYS H H 19 8.388 8.388 8.675 -0.287 19860 8463 1 20 . 1 1 20 20 VAL N N 20 127.530 127.530 126.062 1.468 19860 8464 1 20 . 1 1 20 20 VAL HA H 20 4.946 4.946 4.387 0.559 19860 8465 1 20 . 1 1 20 20 VAL C C 20 173.581 173.581 173.844 -0.263 19860 8466 1 20 . 1 1 20 20 VAL CA C 20 60.483 60.483 59.758 0.726 19860 8467 1 20 . 1 1 20 20 VAL CB C 20 35.665 35.665 35.793 -0.128 19860 8468 1 20 . 1 1 20 20 VAL H H 20 9.428 9.428 9.040 0.388 19860 8469 1 20 . 1 1 21 21 ARG N N 21 125.804 125.804 129.335 -3.531 19860 8470 1 20 . 1 1 21 21 ARG HA H 21 4.716 4.716 4.563 0.153 19860 8471 1 20 . 1 1 21 21 ARG C C 21 174.905 174.905 175.184 -0.279 19860 8472 1 20 . 1 1 21 21 ARG CA C 21 54.864 54.864 54.782 0.082 19860 8473 1 20 . 1 1 21 21 ARG CB C 21 32.881 32.881 30.489 2.392 19860 8474 1 20 . 1 1 21 21 ARG H H 21 9.084 9.084 8.611 0.473 19860 8475 1 20 . 1 1 22 22 ILE N N 22 124.167 124.167 127.128 -2.961 19860 8476 1 20 . 1 1 22 22 ILE HA H 22 4.624 4.624 4.063 0.561 19860 8477 1 20 . 1 1 22 22 ILE C C 22 175.887 175.887 174.745 1.142 19860 8478 1 20 . 1 1 22 22 ILE CA C 22 59.717 59.717 58.978 0.739 19860 8479 1 20 . 1 1 22 22 ILE CB C 22 38.699 38.699 36.455 2.244 19860 8480 1 20 . 1 1 22 22 ILE H H 22 8.554 8.554 8.850 -0.296 19860 8481 1 20 . 1 1 23 23 LEU N N 23 128.981 128.981 129.461 -0.480 19860 8482 1 20 . 1 1 23 23 LEU HA H 23 4.663 4.663 4.763 -0.100 19860 8483 1 20 . 1 1 23 23 LEU C C 23 176.174 176.174 176.009 0.165 19860 8484 1 20 . 1 1 23 23 LEU CA C 23 53.897 53.897 53.822 0.075 19860 8485 1 20 . 1 1 23 23 LEU CB C 23 43.556 43.556 41.317 2.239 19860 8486 1 20 . 1 1 23 23 LEU H H 23 8.835 8.835 8.971 -0.136 19860 8487 1 20 . 1 1 24 24 LYS N N 24 122.797 122.797 126.832 -4.035 19860 8488 1 20 . 1 1 24 24 LYS HA H 24 4.568 4.568 4.847 -0.279 19860 8489 1 20 . 1 1 24 24 LYS C C 24 176.407 176.407 175.831 0.576 19860 8490 1 20 . 1 1 24 24 LYS CA C 24 55.808 55.808 55.074 0.734 19860 8491 1 20 . 1 1 24 24 LYS CB C 24 34.082 34.082 33.983 0.099 19860 8492 1 20 . 1 1 24 24 LYS H H 24 8.566 8.566 7.802 0.764 19860 8493 1 20 . 1 1 25 25 SER N N 25 118.453 118.453 124.264 -5.811 19860 8494 1 20 . 1 1 25 25 SER HA H 25 4.477 4.477 4.746 -0.269 19860 8495 1 20 . 1 1 25 25 SER C C 25 175.038 175.038 174.329 0.709 19860 8496 1 20 . 1 1 25 25 SER CA C 25 58.146 58.146 57.208 0.938 19860 8497 1 20 . 1 1 25 25 SER CB C 25 63.977 63.977 63.254 0.723 19860 8498 1 20 . 1 1 25 25 SER H H 25 8.668 8.668 9.056 -0.388 19860 8499 1 20 . 1 1 26 26 ARG N N 26 123.008 123.008 125.809 -2.801 19860 8500 1 20 . 1 1 26 26 ARG HA H 26 4.284 4.284 4.509 -0.225 19860 8501 1 20 . 1 1 26 26 ARG C C 26 176.640 176.640 177.487 -0.847 19860 8502 1 20 . 1 1 26 26 ARG CA C 26 57.171 57.171 58.269 -1.098 19860 8503 1 20 . 1 1 26 26 ARG CB C 26 30.748 30.748 30.555 0.193 19860 8504 1 20 . 1 1 26 26 ARG H H 26 8.667 8.667 8.306 0.361 19860 8505 1 20 . 1 1 27 27 ASP N N 27 118.281 118.281 119.713 -1.432 19860 8506 1 20 . 1 1 27 27 ASP HA H 27 4.598 4.598 4.376 0.222 19860 8507 1 20 . 1 1 27 27 ASP C C 27 176.028 176.028 177.098 -1.070 19860 8508 1 20 . 1 1 27 27 ASP CA C 27 54.657 54.657 56.643 -1.986 19860 8509 1 20 . 1 1 27 27 ASP CB C 27 41.416 41.416 40.631 0.785 19860 8510 1 20 . 1 1 27 27 ASP H H 27 8.246 8.246 8.399 -0.153 19860 8511 1 20 . 1 1 28 28 ASP N N 28 118.646 118.646 117.728 0.918 19860 8512 1 20 . 1 1 28 28 ASP HA H 28 4.563 4.563 4.529 0.034 19860 8513 1 20 . 1 1 28 28 ASP C C 28 176.165 176.165 176.521 -0.356 19860 8514 1 20 . 1 1 28 28 ASP CA C 28 54.822 54.822 55.729 -0.907 19860 8515 1 20 . 1 1 28 28 ASP CB C 28 41.150 41.150 41.420 -0.270 19860 8516 1 20 . 1 1 28 28 ASP H H 28 8.034 8.034 8.346 -0.312 19860 8517 1 20 . 1 1 29 29 ASN N N 29 117.519 117.519 113.805 3.714 19860 8518 1 20 . 1 1 29 29 ASN HA H 29 4.734 4.734 4.807 -0.073 19860 8519 1 20 . 1 1 29 29 ASN C C 29 175.116 175.116 174.377 0.739 19860 8520 1 20 . 1 1 29 29 ASN CA C 29 53.951 53.951 54.061 -0.110 19860 8521 1 20 . 1 1 29 29 ASN CB C 29 38.779 38.779 39.410 -0.631 19860 8522 1 20 . 1 1 29 29 ASN H H 29 8.473 8.473 7.870 0.603 19860 8523 1 20 . 1 1 30 30 SER N N 30 114.910 114.910 117.299 -2.389 19860 8524 1 20 . 1 1 30 30 SER HA H 30 4.493 4.493 4.730 -0.237 19860 8525 1 20 . 1 1 30 30 SER C C 30 174.235 174.235 173.010 1.225 19860 8526 1 20 . 1 1 30 30 SER CA C 30 58.669 58.669 58.735 -0.066 19860 8527 1 20 . 1 1 30 30 SER CB C 30 64.403 64.403 63.995 0.408 19860 8528 1 20 . 1 1 30 30 SER H H 30 8.206 8.206 8.276 -0.070 19860 8529 1 20 . 1 1 31 31 VAL N N 31 121.640 121.640 125.480 -3.840 19860 8530 1 20 . 1 1 31 31 VAL HA H 31 4.090 4.090 4.167 -0.077 19860 8531 1 20 . 1 1 31 31 VAL C C 31 175.873 175.873 174.438 1.435 19860 8532 1 20 . 1 1 31 31 VAL CA C 31 62.939 62.939 61.876 1.063 19860 8533 1 20 . 1 1 31 31 VAL CB C 31 32.878 32.878 32.843 0.035 19860 8534 1 20 . 1 1 31 31 VAL H H 31 8.242 8.242 7.951 0.291 19860 8535 1 20 . 1 1 32 32 GLU N N 32 125.144 125.144 128.359 -3.215 19860 8536 1 20 . 1 1 32 32 GLU HA H 32 4.417 4.417 5.268 -0.851 19860 8537 1 20 . 1 1 32 32 GLU C C 32 175.532 175.532 175.438 0.094 19860 8538 1 20 . 1 1 32 32 GLU CA C 32 56.886 56.886 54.596 2.289 19860 8539 1 20 . 1 1 32 32 GLU CB C 32 31.059 31.059 30.953 0.106 19860 8540 1 20 . 1 1 32 32 GLU H H 32 8.679 8.679 8.668 0.011 19860 8541 1 20 . 1 1 33 33 LYS N N 33 120.222 120.222 125.282 -5.060 19860 8542 1 20 . 1 1 33 33 LYS HA H 33 4.574 4.574 4.612 -0.038 19860 8543 1 20 . 1 1 33 33 LYS C C 33 174.194 174.194 175.072 -0.878 19860 8544 1 20 . 1 1 33 33 LYS CA C 33 55.324 55.324 53.894 1.430 19860 8545 1 20 . 1 1 33 33 LYS CB C 33 35.258 35.258 33.943 1.315 19860 8546 1 20 . 1 1 33 33 LYS H H 33 8.229 8.229 8.561 -0.332 19860 8547 1 20 . 1 1 34 34 TYR N N 34 121.014 121.014 122.745 -1.731 19860 8548 1 20 . 1 1 34 34 TYR HA H 34 4.910 4.910 4.491 0.419 19860 8549 1 20 . 1 1 34 34 TYR C C 34 175.667 175.667 176.677 -1.010 19860 8550 1 20 . 1 1 34 34 TYR CA C 34 56.984 56.984 58.285 -1.301 19860 8551 1 20 . 1 1 34 34 TYR CB C 34 40.036 40.036 39.177 0.859 19860 8552 1 20 . 1 1 34 34 TYR H H 34 8.552 8.552 8.631 -0.079 19860 8553 1 20 . 1 1 35 35 VAL N N 35 124.624 124.624 122.388 2.236 19860 8554 1 20 . 1 1 35 35 VAL HA H 35 4.301 4.301 3.982 0.319 19860 8555 1 20 . 1 1 35 35 VAL C C 35 175.490 175.490 176.605 -1.115 19860 8556 1 20 . 1 1 35 35 VAL CA C 35 61.869 61.869 62.742 -0.873 19860 8557 1 20 . 1 1 35 35 VAL CB C 35 33.510 33.510 33.190 0.320 19860 8558 1 20 . 1 1 35 35 VAL H H 35 9.337 9.337 8.231 1.106 19860 8559 1 20 . 1 1 36 36 LEU N N 36 127.814 127.814 123.709 4.105 19860 8560 1 20 . 1 1 36 36 LEU HA H 36 4.326 4.326 4.370 -0.044 19860 8561 1 20 . 1 1 36 36 LEU C C 36 177.355 177.355 176.979 0.376 19860 8562 1 20 . 1 1 36 36 LEU CA C 36 56.612 56.612 54.990 1.621 19860 8563 1 20 . 1 1 36 36 LEU CB C 36 41.899 41.899 41.884 0.015 19860 8564 1 20 . 1 1 36 36 LEU H H 36 8.845 8.845 8.428 0.417 19860 8565 1 20 . 1 1 37 37 THR N N 37 112.016 112.016 112.957 -0.941 19860 8566 1 20 . 1 1 37 37 THR HA H 37 4.904 4.904 4.316 0.588 19860 8567 1 20 . 1 1 37 37 THR C C 37 173.228 173.228 174.454 -1.226 19860 8568 1 20 . 1 1 37 37 THR CA C 37 61.023 61.023 61.608 -0.585 19860 8569 1 20 . 1 1 37 37 THR CB C 37 70.829 70.829 69.816 1.013 19860 8570 1 20 . 1 1 37 37 THR H H 37 7.374 7.374 7.557 -0.183 19860 8571 1 20 . 1 1 38 38 SER N N 38 111.049 111.049 119.584 -8.535 19860 8572 1 20 . 1 1 38 38 SER HA H 38 4.635 4.635 4.755 -0.120 19860 8573 1 20 . 1 1 38 38 SER C C 38 174.606 174.606 173.591 1.015 19860 8574 1 20 . 1 1 38 38 SER CA C 38 57.957 57.957 56.815 1.142 19860 8575 1 20 . 1 1 38 38 SER CB C 38 63.849 63.849 63.658 0.191 19860 8576 1 20 . 1 1 38 38 SER H H 38 8.387 8.387 8.149 0.238 19860 8577 1 20 . 1 1 39 39 HIS N N 39 122.230 122.230 122.078 0.152 19860 8578 1 20 . 1 1 39 39 HIS HA H 39 4.768 4.768 4.431 0.337 19860 8579 1 20 . 1 1 39 39 HIS C C 39 173.143 173.143 174.787 -1.644 19860 8580 1 20 . 1 1 39 39 HIS CA C 39 56.328 56.328 57.718 -1.391 19860 8581 1 20 . 1 1 39 39 HIS CB C 39 29.938 29.938 30.350 -0.412 19860 8582 1 20 . 1 1 39 39 HIS H H 39 8.424 8.424 7.725 0.699 19860 8583 1 20 . 1 1 40 40 VAL N N 40 126.582 126.582 121.672 4.910 19860 8584 1 20 . 1 1 40 40 VAL HA H 40 4.915 4.915 4.804 0.111 19860 8585 1 20 . 1 1 40 40 VAL C C 40 175.763 175.763 175.619 0.144 19860 8586 1 20 . 1 1 40 40 VAL CA C 40 60.612 60.612 60.600 0.012 19860 8587 1 20 . 1 1 40 40 VAL CB C 40 34.085 34.085 33.156 0.929 19860 8588 1 20 . 1 1 40 40 VAL H H 40 8.364 8.364 8.403 -0.039 19860 8589 1 20 . 1 1 41 41 SER N N 41 121.067 121.067 121.750 -0.683 19860 8590 1 20 . 1 1 41 41 SER HA H 41 4.947 4.947 4.763 0.184 19860 8591 1 20 . 1 1 41 41 SER C C 41 174.505 174.505 174.681 -0.176 19860 8592 1 20 . 1 1 41 41 SER CA C 41 57.001 57.001 57.354 -0.353 19860 8593 1 20 . 1 1 41 41 SER CB C 41 65.504 65.504 64.837 0.667 19860 8594 1 20 . 1 1 41 41 SER H H 41 9.297 9.297 9.015 0.282 19860 8595 1 20 . 1 1 42 42 LYS N N 42 123.812 123.812 124.105 -0.293 19860 8596 1 20 . 1 1 42 42 LYS HA H 42 4.905 4.905 4.266 0.639 19860 8597 1 20 . 1 1 42 42 LYS C C 42 175.037 175.037 174.849 0.188 19860 8598 1 20 . 1 1 42 42 LYS CA C 42 56.600 56.600 56.667 -0.067 19860 8599 1 20 . 1 1 42 42 LYS CB C 42 32.827 32.827 32.662 0.165 19860 8600 1 20 . 1 1 42 42 LYS H H 42 8.962 8.962 8.665 0.297 19860 8601 1 20 . 1 1 43 43 ASN N N 43 115.779 115.779 117.184 -1.405 19860 8602 1 20 . 1 1 43 43 ASN HA H 43 4.906 4.906 4.778 0.128 19860 8603 1 20 . 1 1 43 43 ASN C C 43 173.479 173.479 174.167 -0.688 19860 8604 1 20 . 1 1 43 43 ASN CA C 43 51.840 51.840 52.595 -0.755 19860 8605 1 20 . 1 1 43 43 ASN CB C 43 40.763 40.763 40.967 -0.203 19860 8606 1 20 . 1 1 43 43 ASN H H 43 8.053 8.053 7.874 0.179 19860 8607 1 20 . 1 1 44 44 ARG N N 44 124.471 124.471 121.955 2.516 19860 8608 1 20 . 1 1 44 44 ARG HA H 44 3.217 3.217 4.114 -0.897 19860 8609 1 20 . 1 1 44 44 ARG C C 44 173.869 173.869 173.941 -0.072 19860 8610 1 20 . 1 1 44 44 ARG CA C 44 54.034 54.034 54.168 -0.134 19860 8611 1 20 . 1 1 44 44 ARG CB C 44 29.917 29.917 29.859 0.058 19860 8612 1 20 . 1 1 44 44 ARG H H 44 8.565 8.565 8.403 0.162 19860 8613 1 20 . 1 1 45 45 PRO HA H 45 4.123 4.123 4.208 -0.085 19860 8614 1 20 . 1 1 45 45 PRO C C 45 176.434 176.434 176.564 -0.130 19860 8615 1 20 . 1 1 45 45 PRO CA C 45 62.292 62.292 62.563 -0.271 19860 8616 1 20 . 1 1 45 45 PRO CB C 45 32.110 32.110 31.754 0.356 19860 8617 1 20 . 1 1 46 46 LYS N N 46 122.529 122.529 122.482 0.047 19860 8618 1 20 . 1 1 46 46 LYS HA H 46 4.110 4.110 4.198 -0.088 19860 8619 1 20 . 1 1 46 46 LYS C C 46 176.931 176.931 176.772 0.159 19860 8620 1 20 . 1 1 46 46 LYS CA C 46 57.000 57.000 57.429 -0.429 19860 8621 1 20 . 1 1 46 46 LYS CB C 46 33.095 33.095 32.915 0.180 19860 8622 1 20 . 1 1 46 46 LYS H H 46 8.470 8.470 8.404 0.066 19860 8623 1 20 . 1 1 47 47 ASN N N 47 117.122 117.122 118.282 -1.160 19860 8624 1 20 . 1 1 47 47 ASN HA H 47 4.589 4.589 4.853 -0.264 19860 8625 1 20 . 1 1 47 47 ASN C C 47 174.011 174.011 173.348 0.663 19860 8626 1 20 . 1 1 47 47 ASN CA C 47 53.493 53.493 53.254 0.239 19860 8627 1 20 . 1 1 47 47 ASN CB C 47 37.868 37.868 38.103 -0.235 19860 8628 1 20 . 1 1 47 47 ASN H H 47 8.745 8.745 8.050 0.695 19860 8629 1 20 . 1 1 48 48 ALA N N 48 119.908 119.908 125.236 -5.328 19860 8630 1 20 . 1 1 48 48 ALA HA H 48 4.609 4.609 4.509 0.100 19860 8631 1 20 . 1 1 48 48 ALA C C 48 176.506 176.506 175.493 1.013 19860 8632 1 20 . 1 1 48 48 ALA CA C 48 51.136 51.136 51.552 -0.416 19860 8633 1 20 . 1 1 48 48 ALA CB C 48 22.389 22.389 21.506 0.883 19860 8634 1 20 . 1 1 48 48 ALA H H 48 7.394 7.394 8.083 -0.689 19860 8635 1 20 . 1 1 49 49 ILE N N 49 123.192 123.192 122.358 0.834 19860 8636 1 20 . 1 1 49 49 ILE HA H 49 4.140 4.140 4.455 -0.315 19860 8637 1 20 . 1 1 49 49 ILE C C 49 174.731 174.731 175.268 -0.537 19860 8638 1 20 . 1 1 49 49 ILE CA C 49 61.597 61.597 60.184 1.413 19860 8639 1 20 . 1 1 49 49 ILE CB C 49 38.166 38.166 36.976 1.190 19860 8640 1 20 . 1 1 49 49 ILE H H 49 8.878 8.878 8.648 0.230 19860 8641 1 20 . 1 1 50 50 VAL N N 50 127.552 127.552 123.105 4.447 19860 8642 1 20 . 1 1 50 50 VAL HA H 50 5.289 5.289 5.633 -0.344 19860 8643 1 20 . 1 1 50 50 VAL C C 50 176.411 176.411 175.271 1.140 19860 8644 1 20 . 1 1 50 50 VAL CA C 50 60.499 60.499 59.144 1.355 19860 8645 1 20 . 1 1 50 50 VAL CB C 50 33.890 33.890 34.193 -0.303 19860 8646 1 20 . 1 1 50 50 VAL H H 50 8.371 8.371 8.335 0.036 19860 8647 1 20 . 1 1 51 51 ILE N N 51 126.906 126.906 125.876 1.030 19860 8648 1 20 . 1 1 51 51 ILE HA H 51 4.691 4.691 4.427 0.264 19860 8649 1 20 . 1 1 51 51 ILE C C 51 175.322 175.322 174.980 0.342 19860 8650 1 20 . 1 1 51 51 ILE CA C 51 59.439 59.439 60.304 -0.865 19860 8651 1 20 . 1 1 51 51 ILE CB C 51 41.189 41.189 40.533 0.656 19860 8652 1 20 . 1 1 51 51 ILE H H 51 9.314 9.314 8.914 0.400 19860 8653 1 20 . 1 1 52 52 LYS N N 52 123.523 123.523 127.141 -3.618 19860 8654 1 20 . 1 1 52 52 LYS HA H 52 4.686 4.686 4.431 0.255 19860 8655 1 20 . 1 1 52 52 LYS C C 52 178.237 178.237 177.886 0.351 19860 8656 1 20 . 1 1 52 52 LYS CA C 52 56.120 56.120 56.140 -0.020 19860 8657 1 20 . 1 1 52 52 LYS CB C 52 33.392 33.392 33.649 -0.257 19860 8658 1 20 . 1 1 52 52 LYS H H 52 8.737 8.737 8.764 -0.027 19860 8659 1 20 . 1 1 53 53 MET N N 53 119.701 119.701 124.033 -4.332 19860 8660 1 20 . 1 1 53 53 MET HA H 53 3.908 3.908 4.010 -0.102 19860 8661 1 20 . 1 1 53 53 MET C C 53 177.401 177.401 178.061 -0.660 19860 8662 1 20 . 1 1 53 53 MET CA C 53 58.725 58.725 60.169 -1.444 19860 8663 1 20 . 1 1 53 53 MET CB C 53 33.383 33.383 32.264 1.119 19860 8664 1 20 . 1 1 53 53 MET H H 53 8.799 8.799 8.830 -0.031 19860 8665 1 20 . 1 1 54 54 ASP N N 54 113.357 113.357 118.540 -5.183 19860 8666 1 20 . 1 1 54 54 ASP HA H 54 4.288 4.288 4.335 -0.047 19860 8667 1 20 . 1 1 54 54 ASP C C 54 176.649 176.649 177.665 -1.016 19860 8668 1 20 . 1 1 54 54 ASP CA C 54 56.682 56.682 56.816 -0.134 19860 8669 1 20 . 1 1 54 54 ASP CB C 54 40.670 40.670 40.551 0.119 19860 8670 1 20 . 1 1 54 54 ASP H H 54 8.262 8.262 8.470 -0.208 19860 8671 1 20 . 1 1 55 55 ASN N N 55 114.935 114.935 117.164 -2.229 19860 8672 1 20 . 1 1 55 55 ASN HA H 55 5.001 5.001 4.632 0.369 19860 8673 1 20 . 1 1 55 55 ASN C C 55 175.032 175.032 175.881 -0.849 19860 8674 1 20 . 1 1 55 55 ASN CA C 55 52.897 52.897 53.419 -0.522 19860 8675 1 20 . 1 1 55 55 ASN CB C 55 39.184 39.184 39.157 0.027 19860 8676 1 20 . 1 1 55 55 ASN H H 55 7.971 7.971 7.901 0.070 19860 8677 1 20 . 1 1 56 56 LEU N N 56 120.385 120.385 122.806 -2.421 19860 8678 1 20 . 1 1 56 56 LEU HA H 56 4.488 4.488 4.225 0.263 19860 8679 1 20 . 1 1 56 56 LEU C C 56 174.131 174.131 174.759 -0.628 19860 8680 1 20 . 1 1 56 56 LEU CA C 56 52.912 52.912 52.386 0.526 19860 8681 1 20 . 1 1 56 56 LEU CB C 56 41.958 41.958 40.422 1.536 19860 8682 1 20 . 1 1 56 56 LEU H H 56 7.331 7.331 7.247 0.084 19860 8683 1 20 . 1 1 57 57 PRO HA H 57 4.617 4.617 4.539 0.078 19860 8684 1 20 . 1 1 57 57 PRO C C 57 178.627 178.627 177.540 1.087 19860 8685 1 20 . 1 1 57 57 PRO CA C 57 62.751 62.751 62.494 0.257 19860 8686 1 20 . 1 1 57 57 PRO CB C 57 32.718 32.718 32.380 0.338 19860 8687 1 20 . 1 1 58 58 ILE N N 58 125.295 125.295 119.864 5.431 19860 8688 1 20 . 1 1 58 58 ILE HA H 58 3.783 3.783 3.752 0.031 19860 8689 1 20 . 1 1 58 58 ILE C C 58 176.776 176.776 177.507 -0.731 19860 8690 1 20 . 1 1 58 58 ILE CA C 58 64.583 64.583 64.139 0.444 19860 8691 1 20 . 1 1 58 58 ILE CB C 58 37.959 37.959 37.315 0.644 19860 8692 1 20 . 1 1 58 58 ILE H H 58 8.882 8.882 8.380 0.502 19860 8693 1 20 . 1 1 59 59 GLU N N 59 118.869 118.869 120.787 -1.918 19860 8694 1 20 . 1 1 59 59 GLU HA H 59 4.254 4.254 4.043 0.211 19860 8695 1 20 . 1 1 59 59 GLU C C 59 179.370 179.370 178.538 0.832 19860 8696 1 20 . 1 1 59 59 GLU CA C 59 59.757 59.757 59.291 0.466 19860 8697 1 20 . 1 1 59 59 GLU CB C 59 29.053 29.053 28.582 0.471 19860 8698 1 20 . 1 1 59 59 GLU H H 59 9.348 9.348 8.685 0.663 19860 8699 1 20 . 1 1 60 60 VAL N N 60 118.990 118.990 121.005 -2.015 19860 8700 1 20 . 1 1 60 60 VAL HA H 60 3.772 3.772 3.704 0.068 19860 8701 1 20 . 1 1 60 60 VAL C C 60 177.451 177.451 177.973 -0.522 19860 8702 1 20 . 1 1 60 60 VAL CA C 60 65.331 65.331 66.018 -0.687 19860 8703 1 20 . 1 1 60 60 VAL CB C 60 31.869 31.869 31.536 0.333 19860 8704 1 20 . 1 1 60 60 VAL H H 60 7.290 7.290 7.351 -0.061 19860 8705 1 20 . 1 1 61 61 LYS N N 61 120.824 120.824 119.750 1.074 19860 8706 1 20 . 1 1 61 61 LYS HA H 61 3.782 3.782 3.772 0.010 19860 8707 1 20 . 1 1 61 61 LYS C C 61 179.444 179.444 178.393 1.051 19860 8708 1 20 . 1 1 61 61 LYS CA C 61 61.060 61.060 60.403 0.657 19860 8709 1 20 . 1 1 61 61 LYS CB C 61 32.196 32.196 31.859 0.337 19860 8710 1 20 . 1 1 61 61 LYS H H 61 8.043 8.043 8.322 -0.279 19860 8711 1 20 . 1 1 62 62 ASP N N 62 119.231 119.231 119.713 -0.482 19860 8712 1 20 . 1 1 62 62 ASP HA H 62 4.427 4.427 4.285 0.142 19860 8713 1 20 . 1 1 62 62 ASP C C 62 178.420 178.420 177.973 0.447 19860 8714 1 20 . 1 1 62 62 ASP CA C 62 57.851 57.851 57.578 0.273 19860 8715 1 20 . 1 1 62 62 ASP CB C 62 40.780 40.780 40.564 0.216 19860 8716 1 20 . 1 1 62 62 ASP H H 62 8.766 8.766 7.973 0.793 19860 8717 1 20 . 1 1 63 63 LYS N N 63 119.623 119.623 119.668 -0.045 19860 8718 1 20 . 1 1 63 63 LYS HA H 63 4.025 4.025 3.988 0.037 19860 8719 1 20 . 1 1 63 63 LYS C C 63 178.866 178.866 179.058 -0.192 19860 8720 1 20 . 1 1 63 63 LYS CA C 63 59.667 59.667 58.937 0.730 19860 8721 1 20 . 1 1 63 63 LYS CB C 63 32.929 32.929 32.141 0.788 19860 8722 1 20 . 1 1 63 63 LYS H H 63 7.391 7.391 7.547 -0.156 19860 8723 1 20 . 1 1 64 64 LEU N N 64 118.806 118.806 118.222 0.584 19860 8724 1 20 . 1 1 64 64 LEU HA H 64 4.216 4.216 3.969 0.247 19860 8725 1 20 . 1 1 64 64 LEU C C 64 178.793 178.793 178.746 0.047 19860 8726 1 20 . 1 1 64 64 LEU CA C 64 58.011 58.011 57.673 0.338 19860 8727 1 20 . 1 1 64 64 LEU CB C 64 42.251 42.251 41.249 1.002 19860 8728 1 20 . 1 1 64 64 LEU H H 64 8.357 8.357 8.283 0.074 19860 8729 1 20 . 1 1 65 65 THR N N 65 115.102 115.102 115.474 -0.372 19860 8730 1 20 . 1 1 65 65 THR HA H 65 3.920 3.920 3.684 0.236 19860 8731 1 20 . 1 1 65 65 THR C C 65 176.410 176.410 176.863 -0.453 19860 8732 1 20 . 1 1 65 65 THR CA C 65 66.705 66.705 66.868 -0.163 19860 8733 1 20 . 1 1 65 65 THR CB C 65 68.876 68.876 68.230 0.646 19860 8734 1 20 . 1 1 65 65 THR H H 65 8.343 8.343 8.038 0.305 19860 8735 1 20 . 1 1 66 66 ARG N N 66 119.405 119.405 120.032 -0.627 19860 8736 1 20 . 1 1 66 66 ARG HA H 66 4.067 4.067 4.097 -0.030 19860 8737 1 20 . 1 1 66 66 ARG C C 66 177.988 177.988 177.706 0.282 19860 8738 1 20 . 1 1 66 66 ARG CA C 66 58.961 58.961 59.004 -0.043 19860 8739 1 20 . 1 1 66 66 ARG CB C 66 30.302 30.302 29.920 0.382 19860 8740 1 20 . 1 1 66 66 ARG H H 66 7.832 7.832 8.223 -0.391 19860 8741 1 20 . 1 1 67 67 PHE N N 67 117.304 117.304 119.503 -2.199 19860 8742 1 20 . 1 1 67 67 PHE HA H 67 4.323 4.323 4.347 -0.024 19860 8743 1 20 . 1 1 67 67 PHE C C 67 177.141 177.141 176.161 0.980 19860 8744 1 20 . 1 1 67 67 PHE CA C 67 59.989 59.989 60.624 -0.635 19860 8745 1 20 . 1 1 67 67 PHE CB C 67 39.269 39.269 40.260 -0.991 19860 8746 1 20 . 1 1 67 67 PHE H H 67 8.190 8.190 7.716 0.474 19860 8747 1 20 . 1 1 68 68 PHE N N 68 114.297 114.297 112.627 1.670 19860 8748 1 20 . 1 1 68 68 PHE HA H 68 4.696 4.696 4.718 -0.022 19860 8749 1 20 . 1 1 68 68 PHE C C 68 175.969 175.969 175.123 0.846 19860 8750 1 20 . 1 1 68 68 PHE CA C 68 59.112 59.112 57.891 1.221 19860 8751 1 20 . 1 1 68 68 PHE CB C 68 40.100 40.100 39.572 0.528 19860 8752 1 20 . 1 1 68 68 PHE H H 68 8.087 8.087 7.611 0.476 19860 8753 1 20 . 1 1 69 69 LEU N N 69 119.594 119.594 119.481 0.113 19860 8754 1 20 . 1 1 69 69 LEU HA H 69 4.476 4.476 4.314 0.162 19860 8755 1 20 . 1 1 69 69 LEU C C 69 177.425 177.425 178.117 -0.692 19860 8756 1 20 . 1 1 69 69 LEU CA C 69 55.805 55.805 56.265 -0.460 19860 8757 1 20 . 1 1 69 69 LEU CB C 69 41.399 41.399 43.226 -1.827 19860 8758 1 20 . 1 1 69 69 LEU H H 69 7.823 7.823 7.079 0.744 19860 8759 1 20 . 1 1 70 70 LEU N N 70 119.723 119.723 115.112 4.611 19860 8760 1 20 . 1 1 70 70 LEU HA H 70 4.341 4.341 3.914 0.427 19860 8761 1 20 . 1 1 70 70 LEU C C 70 177.443 177.443 176.951 0.492 19860 8762 1 20 . 1 1 70 70 LEU CA C 70 55.288 55.288 57.467 -2.179 19860 8763 1 20 . 1 1 70 70 LEU CB C 70 42.205 42.205 40.047 2.158 19860 8764 1 20 . 1 1 70 70 LEU H H 70 7.905 7.905 8.482 -0.577 19860 8765 1 20 . 1 1 71 71 GLU N N 71 120.533 120.533 119.442 1.091 19860 8766 1 20 . 1 1 71 71 GLU HA H 71 4.200 4.200 4.548 -0.348 19860 8767 1 20 . 1 1 71 71 GLU C C 71 176.250 176.250 175.973 0.277 19860 8768 1 20 . 1 1 71 71 GLU CA C 71 56.609 56.609 55.809 0.800 19860 8769 1 20 . 1 1 71 71 GLU CB C 71 30.475 30.475 29.375 1.101 19860 8770 1 20 . 1 1 71 71 GLU H H 71 8.244 8.244 8.046 0.198 19860 8771 1 20 . 1 1 72 72 HIS N N 72 119.783 119.783 124.234 -4.451 19860 8772 1 20 . 1 1 72 72 HIS HA H 72 4.623 4.623 4.387 0.236 19860 8773 1 20 . 1 1 72 72 HIS C C 72 174.645 174.645 175.009 -0.364 19860 8774 1 20 . 1 1 72 72 HIS CA C 72 55.737 55.737 56.703 -0.966 19860 8775 1 20 . 1 1 72 72 HIS CB C 72 29.901 29.901 30.456 -0.555 19860 8776 1 20 . 1 1 72 72 HIS H H 72 8.403 8.403 8.031 0.372 19860 8777 1 20 . 1 1 73 73 HIS N N 73 120.199 120.199 114.988 5.211 19860 8778 1 20 . 1 1 73 73 HIS HA H 73 4.625 4.625 4.599 0.026 19860 8779 1 20 . 1 1 73 73 HIS C C 73 174.552 174.552 175.022 -0.470 19860 8780 1 20 . 1 1 73 73 HIS CA C 73 55.754 55.754 55.175 0.580 19860 8781 1 20 . 1 1 73 73 HIS CB C 73 29.976 29.976 32.431 -2.455 19860 8782 1 20 . 1 1 73 73 HIS H H 73 8.539 8.539 7.686 0.853 19860 8783 1 20 . 1 1 74 74 HIS N N 74 120.457 120.457 121.255 -0.798 19860 8784 1 20 . 1 1 74 74 HIS HA H 74 4.655 4.655 4.548 0.107 19860 8785 1 20 . 1 1 74 74 HIS C C 74 174.638 174.638 175.141 -0.503 19860 8786 1 20 . 1 1 74 74 HIS CA C 74 55.771 55.771 57.531 -1.760 19860 8787 1 20 . 1 1 74 74 HIS CB C 74 29.916 29.916 30.114 -0.198 19860 8788 1 20 . 1 1 74 74 HIS H H 74 8.681 8.681 8.394 0.287 19860 8789 1 20 . 1 1 75 75 HIS N N 75 120.782 120.782 120.147 0.635 19860 8790 1 20 . 1 1 75 75 HIS HA H 75 4.671 4.671 4.611 0.060 19860 8791 1 20 . 1 1 75 75 HIS C C 75 174.525 174.525 173.663 0.862 19860 8792 1 20 . 1 1 75 75 HIS CA C 75 55.758 55.758 55.739 0.019 19860 8793 1 20 . 1 1 75 75 HIS CB C 75 29.934 29.934 27.816 2.118 19860 8794 1 20 . 1 1 75 75 HIS H H 75 8.755 8.755 8.205 0.550 19860 8795 1 20 . 1 1 76 76 HIS N N 76 120.737 120.737 122.848 -2.111 19860 8796 1 20 . 1 1 76 76 HIS HA H 76 4.666 4.666 4.680 -0.014 19860 8797 1 20 . 1 1 76 76 HIS C C 76 173.873 173.873 173.505 0.368 19860 8798 1 20 . 1 1 76 76 HIS CA C 76 55.921 55.921 55.544 0.377 19860 8799 1 20 . 1 1 76 76 HIS CB C 76 29.848 29.848 31.733 -1.885 19860 8800 1 20 . 1 1 76 76 HIS H H 76 8.693 8.693 8.087 0.606 19860 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 72 2.839 0.391 2.831 19860 2 1 1 "Average Difference" HA 77 0.306 -0.084 0.296 19860 3 1 1 "Average Difference" C 75 0.772 -0.051 0.775 19860 4 1 1 "Average Difference" CA 75 0.803 -0.038 0.807 19860 5 1 1 "Average Difference" CB 73 1.125 -0.417 1.052 19860 6 1 1 "Average Difference" HN 72 0.432 -0.191 0.390 19860 7 1 2 "Average Difference" N 72 2.918 0.442 2.905 19860 8 1 2 "Average Difference" HA 77 0.290 -0.066 0.284 19860 9 1 2 "Average Difference" C 75 0.742 -0.024 0.747 19860 10 1 2 "Average Difference" CA 75 0.949 0.041 0.955 19860 11 1 2 "Average Difference" CB 73 1.026 -0.273 0.996 19860 12 1 2 "Average Difference" HN 72 0.417 -0.153 0.390 19860 13 1 3 "Average Difference" N 72 2.987 0.222 3.000 19860 14 1 3 "Average Difference" HA 77 0.309 -0.028 0.309 19860 15 1 3 "Average Difference" C 75 0.792 0.082 0.793 19860 16 1 3 "Average Difference" CA 75 1.010 0.086 1.013 19860 17 1 3 "Average Difference" CB 73 0.917 -0.352 0.852 19860 18 1 3 "Average Difference" HN 72 0.457 -0.193 0.418 19860 19 1 4 "Average Difference" N 72 2.752 0.305 2.754 19860 20 1 4 "Average Difference" HA 77 0.306 -0.033 0.307 19860 21 1 4 "Average Difference" C 75 0.800 -0.085 0.801 19860 22 1 4 "Average Difference" CA 75 0.867 -0.144 0.861 19860 23 1 4 "Average Difference" CB 73 0.925 -0.285 0.886 19860 24 1 4 "Average Difference" HN 72 0.429 -0.201 0.382 19860 25 1 5 "Average Difference" N 72 2.964 0.598 2.923 19860 26 1 5 "Average Difference" HA 77 0.302 -0.049 0.300 19860 27 1 5 "Average Difference" C 75 0.861 -0.126 0.858 19860 28 1 5 "Average Difference" CA 75 0.914 -0.095 0.915 19860 29 1 5 "Average Difference" CB 73 1.108 -0.416 1.034 19860 30 1 5 "Average Difference" HN 72 0.463 -0.194 0.424 19860 31 1 6 "Average Difference" N 72 2.932 0.488 2.912 19860 32 1 6 "Average Difference" HA 77 0.291 -0.081 0.281 19860 33 1 6 "Average Difference" C 75 0.752 -0.042 0.756 19860 34 1 6 "Average Difference" CA 75 0.891 0.036 0.896 19860 35 1 6 "Average Difference" CB 73 1.019 -0.397 0.945 19860 36 1 6 "Average Difference" HN 72 0.440 -0.201 0.394 19860 37 1 7 "Average Difference" N 72 2.803 0.376 2.797 19860 38 1 7 "Average Difference" HA 77 0.324 -0.091 0.313 19860 39 1 7 "Average Difference" C 75 0.748 -0.118 0.744 19860 40 1 7 "Average Difference" CA 75 1.003 -0.004 1.010 19860 41 1 7 "Average Difference" CB 73 1.103 -0.268 1.077 19860 42 1 7 "Average Difference" HN 72 0.454 -0.184 0.418 19860 43 1 8 "Average Difference" N 72 2.863 0.365 2.860 19860 44 1 8 "Average Difference" HA 77 0.321 -0.057 0.318 19860 45 1 8 "Average Difference" C 75 0.882 0.055 0.886 19860 46 1 8 "Average Difference" CA 75 1.080 0.023 1.087 19860 47 1 8 "Average Difference" CB 73 0.951 -0.294 0.911 19860 48 1 8 "Average Difference" HN 72 0.436 -0.138 0.417 19860 49 1 9 "Average Difference" N 72 2.814 0.243 2.823 19860 50 1 9 "Average Difference" HA 77 0.280 -0.056 0.276 19860 51 1 9 "Average Difference" C 75 0.732 -0.054 0.735 19860 52 1 9 "Average Difference" CA 75 0.883 -0.147 0.877 19860 53 1 9 "Average Difference" CB 73 1.005 -0.329 0.957 19860 54 1 9 "Average Difference" HN 72 0.453 -0.233 0.391 19860 55 1 10 "Average Difference" N 72 2.739 0.291 2.743 19860 56 1 10 "Average Difference" HA 77 0.294 -0.036 0.294 19860 57 1 10 "Average Difference" C 75 0.739 -0.129 0.733 19860 58 1 10 "Average Difference" CA 75 0.891 -0.087 0.893 19860 59 1 10 "Average Difference" CB 73 1.075 -0.275 1.046 19860 60 1 10 "Average Difference" HN 72 0.428 -0.206 0.378 19860 61 1 11 "Average Difference" N 72 2.753 0.751 2.667 19860 62 1 11 "Average Difference" HA 77 0.329 -0.078 0.322 19860 63 1 11 "Average Difference" C 75 0.765 -0.086 0.765 19860 64 1 11 "Average Difference" CA 75 0.820 -0.063 0.824 19860 65 1 11 "Average Difference" CB 73 0.899 -0.332 0.841 19860 66 1 11 "Average Difference" HN 72 0.406 -0.164 0.374 19860 67 1 12 "Average Difference" N 72 2.697 0.577 2.653 19860 68 1 12 "Average Difference" HA 77 0.302 -0.023 0.303 19860 69 1 12 "Average Difference" C 75 0.731 -0.116 0.726 19860 70 1 12 "Average Difference" CA 75 0.916 -0.143 0.911 19860 71 1 12 "Average Difference" CB 73 0.904 -0.223 0.882 19860 72 1 12 "Average Difference" HN 72 0.434 -0.192 0.392 19860 73 1 13 "Average Difference" N 72 2.789 0.192 2.801 19860 74 1 13 "Average Difference" HA 77 0.315 -0.063 0.311 19860 75 1 13 "Average Difference" C 75 0.716 -0.106 0.713 19860 76 1 13 "Average Difference" CA 75 0.947 -0.019 0.953 19860 77 1 13 "Average Difference" CB 73 1.149 -0.328 1.109 19860 78 1 13 "Average Difference" HN 72 0.441 -0.177 0.407 19860 79 1 14 "Average Difference" N 72 2.895 0.545 2.863 19860 80 1 14 "Average Difference" HA 77 0.332 -0.044 0.331 19860 81 1 14 "Average Difference" C 75 0.799 -0.077 0.800 19860 82 1 14 "Average Difference" CA 75 0.938 -0.055 0.942 19860 83 1 14 "Average Difference" CB 73 1.132 -0.375 1.076 19860 84 1 14 "Average Difference" HN 72 0.402 -0.179 0.362 19860 85 1 15 "Average Difference" N 72 2.611 0.462 2.588 19860 86 1 15 "Average Difference" HA 77 0.334 -0.045 0.333 19860 87 1 15 "Average Difference" C 75 0.844 -0.183 0.829 19860 88 1 15 "Average Difference" CA 75 0.859 0.003 0.865 19860 89 1 15 "Average Difference" CB 73 1.188 -0.254 1.168 19860 90 1 15 "Average Difference" HN 72 0.436 -0.170 0.404 19860 91 1 16 "Average Difference" N 72 2.703 0.469 2.680 19860 92 1 16 "Average Difference" HA 77 0.286 -0.037 0.286 19860 93 1 16 "Average Difference" C 75 0.775 -0.078 0.776 19860 94 1 16 "Average Difference" CA 75 0.835 -0.078 0.837 19860 95 1 16 "Average Difference" CB 73 0.900 -0.285 0.859 19860 96 1 16 "Average Difference" HN 72 0.420 -0.171 0.386 19860 97 1 17 "Average Difference" N 72 2.837 0.196 2.850 19860 98 1 17 "Average Difference" HA 77 0.294 -0.046 0.292 19860 99 1 17 "Average Difference" C 75 0.889 -0.142 0.883 19860 100 1 17 "Average Difference" CA 75 0.961 -0.026 0.967 19860 101 1 17 "Average Difference" CB 73 1.146 -0.312 1.110 19860 102 1 17 "Average Difference" HN 72 0.443 -0.178 0.409 19860 103 1 18 "Average Difference" N 72 3.177 0.260 3.188 19860 104 1 18 "Average Difference" HA 77 0.309 -0.081 0.300 19860 105 1 18 "Average Difference" C 75 0.793 -0.028 0.798 19860 106 1 18 "Average Difference" CA 75 0.823 0.049 0.827 19860 107 1 18 "Average Difference" CB 73 1.020 -0.358 0.962 19860 108 1 18 "Average Difference" HN 72 0.433 -0.173 0.400 19860 109 1 19 "Average Difference" N 72 2.872 0.523 2.844 19860 110 1 19 "Average Difference" HA 77 0.316 -0.076 0.308 19860 111 1 19 "Average Difference" C 75 0.746 -0.055 0.749 19860 112 1 19 "Average Difference" CA 75 0.870 -0.010 0.876 19860 113 1 19 "Average Difference" CB 73 1.055 -0.278 1.025 19860 114 1 19 "Average Difference" HN 72 0.436 -0.162 0.408 19860 115 1 20 "Average Difference" N 72 2.893 0.498 2.870 19860 116 1 20 "Average Difference" HA 77 0.306 -0.059 0.303 19860 117 1 20 "Average Difference" C 75 0.772 -0.056 0.775 19860 118 1 20 "Average Difference" CA 75 0.902 -0.010 0.908 19860 119 1 20 "Average Difference" CB 73 1.031 -0.331 0.984 19860 120 1 20 "Average Difference" HN 72 0.458 -0.205 0.412 19860 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 19860 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 LEU HA H 2 4.435 4.435 4.458 -0.023 19860 2 1 . 1 1 2 2 LEU C C 2 176.773 176.773 176.039 0.734 19860 3 1 . 1 1 2 2 LEU CA C 2 55.299 55.299 55.164 0.135 19860 4 1 . 1 1 2 2 LEU CB C 2 42.529 42.529 42.246 0.283 19860 5 1 . 1 1 3 3 LYS N N 3 123.220 123.220 122.435 0.785 19860 6 1 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.340 -0.015 19860 7 1 . 1 1 3 3 LYS C C 3 176.224 176.224 175.876 0.348 19860 8 1 . 1 1 3 3 LYS CA C 3 56.344 56.344 56.430 -0.086 19860 9 1 . 1 1 3 3 LYS CB C 3 33.335 33.335 32.594 0.741 19860 10 1 . 1 1 3 3 LYS H H 3 8.520 8.520 8.364 0.156 19860 11 1 . 1 1 4 4 HIS N N 4 119.727 119.727 119.280 0.447 19860 12 1 . 1 1 4 4 HIS HA H 4 4.721 4.721 4.601 0.120 19860 13 1 . 1 1 4 4 HIS C C 4 175.318 175.318 174.180 1.138 19860 14 1 . 1 1 4 4 HIS CA C 4 55.941 55.941 56.143 -0.202 19860 15 1 . 1 1 4 4 HIS CB C 4 30.636 30.636 30.981 -0.345 19860 16 1 . 1 1 4 4 HIS H H 4 8.486 8.486 8.357 0.129 19860 17 1 . 1 1 5 5 GLY N N 5 110.318 110.318 107.165 3.153 19860 18 1 . 1 1 5 5 GLY C C 5 172.966 172.966 172.466 0.500 19860 19 1 . 1 1 5 5 GLY CA C 5 45.146 45.146 44.845 0.301 19860 20 1 . 1 1 5 5 GLY H H 5 8.602 8.602 7.882 0.720 19860 21 1 . 1 1 6 6 LYS N N 6 120.808 120.808 122.626 -1.818 19860 22 1 . 1 1 6 6 LYS HA H 6 4.438 4.438 4.734 -0.296 19860 23 1 . 1 1 6 6 LYS C C 6 175.168 175.168 174.896 0.272 19860 24 1 . 1 1 6 6 LYS CA C 6 56.179 56.179 54.197 1.982 19860 25 1 . 1 1 6 6 LYS CB C 6 34.277 34.277 35.859 -1.582 19860 26 1 . 1 1 6 6 LYS H H 6 8.275 8.275 8.239 0.036 19860 27 1 . 1 1 7 7 TYR N N 7 118.666 118.666 120.751 -2.085 19860 28 1 . 1 1 7 7 TYR HA H 7 5.513 5.513 5.304 0.209 19860 29 1 . 1 1 7 7 TYR C C 7 176.004 176.004 176.136 -0.132 19860 30 1 . 1 1 7 7 TYR CA C 7 56.971 56.971 57.740 -0.769 19860 31 1 . 1 1 7 7 TYR CB C 7 41.032 41.032 39.109 1.923 19860 32 1 . 1 1 7 7 TYR H H 7 8.351 8.351 8.614 -0.263 19860 33 1 . 1 1 8 8 VAL N N 8 115.920 115.920 118.851 -2.931 19860 34 1 . 1 1 8 8 VAL HA H 8 4.860 4.860 4.742 0.118 19860 35 1 . 1 1 8 8 VAL C C 8 173.220 173.220 173.537 -0.318 19860 36 1 . 1 1 8 8 VAL CA C 8 59.694 59.694 59.307 0.387 19860 37 1 . 1 1 8 8 VAL CB C 8 35.246 35.246 34.938 0.308 19860 38 1 . 1 1 8 8 VAL H H 8 9.057 9.057 8.966 0.091 19860 39 1 . 1 1 9 9 TYR N N 9 118.786 118.786 117.511 1.275 19860 40 1 . 1 1 9 9 TYR HA H 9 5.515 5.515 5.629 -0.114 19860 41 1 . 1 1 9 9 TYR C C 9 175.072 175.072 175.936 -0.864 19860 42 1 . 1 1 9 9 TYR CA C 9 56.576 56.576 55.942 0.634 19860 43 1 . 1 1 9 9 TYR CB C 9 41.532 41.532 42.145 -0.613 19860 44 1 . 1 1 9 9 TYR H H 9 9.117 9.117 8.671 0.446 19860 45 1 . 1 1 10 10 ILE N N 10 121.376 121.376 122.297 -0.921 19860 46 1 . 1 1 10 10 ILE HA H 10 4.887 4.887 4.676 0.211 19860 47 1 . 1 1 10 10 ILE C C 10 176.044 176.044 176.184 -0.140 19860 48 1 . 1 1 10 10 ILE CA C 10 58.948 58.948 58.489 0.459 19860 49 1 . 1 1 10 10 ILE CB C 10 38.537 38.537 37.879 0.658 19860 50 1 . 1 1 10 10 ILE H H 10 9.514 9.514 8.930 0.584 19860 51 1 . 1 1 11 11 ASP N N 11 126.501 126.501 128.230 -1.729 19860 52 1 . 1 1 11 11 ASP HA H 11 4.390 4.390 4.340 0.050 19860 53 1 . 1 1 11 11 ASP C C 11 175.850 175.850 176.435 -0.585 19860 54 1 . 1 1 11 11 ASP CA C 11 53.377 53.377 53.966 -0.589 19860 55 1 . 1 1 11 11 ASP CB C 11 41.808 41.808 40.365 1.443 19860 56 1 . 1 1 11 11 ASP H H 11 8.676 8.676 8.789 -0.113 19860 57 1 . 1 1 12 12 LEU N N 12 127.505 127.505 124.935 2.570 19860 58 1 . 1 1 12 12 LEU HA H 12 4.319 4.319 4.117 0.202 19860 59 1 . 1 1 12 12 LEU C C 12 176.132 176.132 177.638 -1.506 19860 60 1 . 1 1 12 12 LEU CA C 12 55.439 55.439 55.842 -0.403 19860 61 1 . 1 1 12 12 LEU CB C 12 40.312 40.312 42.041 -1.730 19860 62 1 . 1 1 12 12 LEU H H 12 7.692 7.692 7.683 0.009 19860 63 1 . 1 1 13 13 ASN N N 13 114.351 114.351 113.966 0.385 19860 64 1 . 1 1 13 13 ASN HA H 13 4.391 4.391 4.248 0.143 19860 65 1 . 1 1 13 13 ASN C C 13 174.440 174.440 174.993 -0.553 19860 66 1 . 1 1 13 13 ASN CA C 13 54.482 54.482 54.781 -0.299 19860 67 1 . 1 1 13 13 ASN CB C 13 37.861 37.861 37.537 0.324 19860 68 1 . 1 1 13 13 ASN H H 13 9.187 9.187 7.903 1.284 19860 69 1 . 1 1 14 14 ASN N N 14 115.057 115.057 116.993 -1.936 19860 70 1 . 1 1 14 14 ASN HA H 14 4.779 4.779 4.748 0.031 19860 71 1 . 1 1 14 14 ASN C C 14 176.213 176.213 175.622 0.591 19860 72 1 . 1 1 14 14 ASN CA C 14 52.149 52.149 52.966 -0.817 19860 73 1 . 1 1 14 14 ASN CB C 14 38.727 38.727 38.083 0.644 19860 74 1 . 1 1 14 14 ASN H H 14 7.737 7.737 8.058 -0.321 19860 75 1 . 1 1 15 15 GLY N N 15 110.453 110.453 106.257 4.196 19860 76 1 . 1 1 15 15 GLY C C 15 172.968 172.968 173.324 -0.356 19860 77 1 . 1 1 15 15 GLY CA C 15 45.136 45.136 45.069 0.067 19860 78 1 . 1 1 15 15 GLY H H 15 8.744 8.744 8.238 0.506 19860 79 1 . 1 1 16 16 LYS N N 16 116.557 116.557 118.166 -1.609 19860 80 1 . 1 1 16 16 LYS HA H 16 4.992 4.992 4.941 0.051 19860 81 1 . 1 1 16 16 LYS C C 16 175.214 175.214 174.046 1.168 19860 82 1 . 1 1 16 16 LYS CA C 16 54.653 54.653 54.893 -0.240 19860 83 1 . 1 1 16 16 LYS CB C 16 35.359 35.359 35.615 -0.256 19860 84 1 . 1 1 16 16 LYS H H 16 7.559 7.559 7.424 0.135 19860 85 1 . 1 1 17 17 TYR N N 17 117.020 117.020 117.557 -0.537 19860 86 1 . 1 1 17 17 TYR HA H 17 5.551 5.551 4.894 0.657 19860 87 1 . 1 1 17 17 TYR C C 17 175.491 175.491 174.398 1.093 19860 88 1 . 1 1 17 17 TYR CA C 17 56.255 56.255 57.159 -0.904 19860 89 1 . 1 1 17 17 TYR CB C 17 42.270 42.270 42.896 -0.626 19860 90 1 . 1 1 17 17 TYR H H 17 8.577 8.577 8.810 -0.233 19860 91 1 . 1 1 18 18 VAL N N 18 121.032 121.032 121.423 -0.391 19860 92 1 . 1 1 18 18 VAL HA H 18 5.027 5.027 4.490 0.537 19860 93 1 . 1 1 18 18 VAL C C 18 174.046 174.046 174.224 -0.178 19860 94 1 . 1 1 18 18 VAL CA C 18 59.711 59.711 60.320 -0.609 19860 95 1 . 1 1 18 18 VAL CB C 18 35.076 35.076 34.227 0.849 19860 96 1 . 1 1 18 18 VAL H H 18 8.829 8.829 8.447 0.382 19860 97 1 . 1 1 19 19 LYS N N 19 130.251 130.251 129.919 0.332 19860 98 1 . 1 1 19 19 LYS HA H 19 4.055 4.055 4.591 -0.536 19860 99 1 . 1 1 19 19 LYS C C 19 175.628 175.628 175.136 0.492 19860 100 1 . 1 1 19 19 LYS CA C 19 56.975 56.975 55.422 1.553 19860 101 1 . 1 1 19 19 LYS CB C 19 33.380 33.380 33.075 0.305 19860 102 1 . 1 1 19 19 LYS H H 19 8.388 8.388 8.393 -0.004 19860 103 1 . 1 1 20 20 VAL N N 20 127.530 127.530 125.202 2.328 19860 104 1 . 1 1 20 20 VAL HA H 20 4.946 4.946 4.405 0.541 19860 105 1 . 1 1 20 20 VAL C C 20 173.581 173.581 173.874 -0.293 19860 106 1 . 1 1 20 20 VAL CA C 20 60.483 60.483 59.310 1.174 19860 107 1 . 1 1 20 20 VAL CB C 20 35.665 35.665 35.839 -0.174 19860 108 1 . 1 1 20 20 VAL H H 20 9.428 9.428 8.958 0.470 19860 109 1 . 1 1 21 21 ARG N N 21 125.804 125.804 128.387 -2.583 19860 110 1 . 1 1 21 21 ARG HA H 21 4.716 4.716 4.627 0.089 19860 111 1 . 1 1 21 21 ARG C C 21 174.905 174.905 175.304 -0.399 19860 112 1 . 1 1 21 21 ARG CA C 21 54.864 54.864 54.955 -0.091 19860 113 1 . 1 1 21 21 ARG CB C 21 32.881 32.881 30.608 2.273 19860 114 1 . 1 1 21 21 ARG H H 21 9.084 9.084 8.613 0.471 19860 115 1 . 1 1 22 22 ILE N N 22 124.167 124.167 127.132 -2.965 19860 116 1 . 1 1 22 22 ILE HA H 22 4.624 4.624 4.237 0.387 19860 117 1 . 1 1 22 22 ILE C C 22 175.887 175.887 174.814 1.073 19860 118 1 . 1 1 22 22 ILE CA C 22 59.717 59.717 59.094 0.623 19860 119 1 . 1 1 22 22 ILE CB C 22 38.699 38.699 36.761 1.938 19860 120 1 . 1 1 22 22 ILE H H 22 8.554 8.554 8.967 -0.413 19860 121 1 . 1 1 23 23 LEU N N 23 128.981 128.981 129.847 -0.866 19860 122 1 . 1 1 23 23 LEU HA H 23 4.663 4.663 4.600 0.063 19860 123 1 . 1 1 23 23 LEU C C 23 176.174 176.174 175.793 0.381 19860 124 1 . 1 1 23 23 LEU CA C 23 53.897 53.897 53.903 -0.007 19860 125 1 . 1 1 23 23 LEU CB C 23 43.556 43.556 41.517 2.039 19860 126 1 . 1 1 23 23 LEU H H 23 8.835 8.835 8.958 -0.123 19860 127 1 . 1 1 24 24 LYS N N 24 122.797 122.797 126.465 -3.668 19860 128 1 . 1 1 24 24 LYS HA H 24 4.568 4.568 4.572 -0.004 19860 129 1 . 1 1 24 24 LYS C C 24 176.407 176.407 175.625 0.782 19860 130 1 . 1 1 24 24 LYS CA C 24 55.808 55.808 55.317 0.491 19860 131 1 . 1 1 24 24 LYS CB C 24 34.082 34.082 33.452 0.630 19860 132 1 . 1 1 24 24 LYS H H 24 8.566 8.566 8.561 0.005 19860 133 1 . 1 1 25 25 SER N N 25 118.453 118.453 123.397 -4.944 19860 134 1 . 1 1 25 25 SER HA H 25 4.477 4.477 4.816 -0.339 19860 135 1 . 1 1 25 25 SER C C 25 175.038 175.038 174.234 0.804 19860 136 1 . 1 1 25 25 SER CA C 25 58.146 58.146 57.310 0.836 19860 137 1 . 1 1 25 25 SER CB C 25 63.977 63.977 63.105 0.872 19860 138 1 . 1 1 25 25 SER H H 25 8.668 8.668 8.949 -0.281 19860 139 1 . 1 1 26 26 ARG N N 26 123.008 123.008 125.603 -2.595 19860 140 1 . 1 1 26 26 ARG HA H 26 4.284 4.284 4.340 -0.056 19860 141 1 . 1 1 26 26 ARG C C 26 176.640 176.640 176.872 -0.232 19860 142 1 . 1 1 26 26 ARG CA C 26 57.171 57.171 58.233 -1.062 19860 143 1 . 1 1 26 26 ARG CB C 26 30.748 30.748 30.341 0.407 19860 144 1 . 1 1 26 26 ARG H H 26 8.667 8.667 8.062 0.605 19860 145 1 . 1 1 27 27 ASP N N 27 118.281 118.281 118.296 -0.015 19860 146 1 . 1 1 27 27 ASP HA H 27 4.598 4.598 4.407 0.191 19860 147 1 . 1 1 27 27 ASP C C 27 176.028 176.028 176.892 -0.864 19860 148 1 . 1 1 27 27 ASP CA C 27 54.657 54.657 56.628 -1.971 19860 149 1 . 1 1 27 27 ASP CB C 27 41.416 41.416 40.211 1.205 19860 150 1 . 1 1 27 27 ASP H H 27 8.246 8.246 8.376 -0.130 19860 151 1 . 1 1 28 28 ASP N N 28 118.646 118.646 118.101 0.545 19860 152 1 . 1 1 28 28 ASP HA H 28 4.563 4.563 4.529 0.034 19860 153 1 . 1 1 28 28 ASP C C 28 176.165 176.165 176.236 -0.071 19860 154 1 . 1 1 28 28 ASP CA C 28 54.822 54.822 55.510 -0.688 19860 155 1 . 1 1 28 28 ASP CB C 28 41.150 41.150 41.731 -0.581 19860 156 1 . 1 1 28 28 ASP H H 28 8.034 8.034 8.050 -0.016 19860 157 1 . 1 1 29 29 ASN N N 29 117.519 117.519 115.032 2.487 19860 158 1 . 1 1 29 29 ASN HA H 29 4.734 4.734 4.695 0.039 19860 159 1 . 1 1 29 29 ASN C C 29 175.116 175.116 173.742 1.374 19860 160 1 . 1 1 29 29 ASN CA C 29 53.951 53.951 54.058 -0.107 19860 161 1 . 1 1 29 29 ASN CB C 29 38.779 38.779 39.365 -0.586 19860 162 1 . 1 1 29 29 ASN H H 29 8.473 8.473 8.028 0.445 19860 163 1 . 1 1 30 30 SER N N 30 114.910 114.910 115.285 -0.375 19860 164 1 . 1 1 30 30 SER HA H 30 4.493 4.493 4.540 -0.047 19860 165 1 . 1 1 30 30 SER C C 30 174.235 174.235 173.147 1.088 19860 166 1 . 1 1 30 30 SER CA C 30 58.669 58.669 58.585 0.084 19860 167 1 . 1 1 30 30 SER CB C 30 64.403 64.403 63.562 0.841 19860 168 1 . 1 1 30 30 SER H H 30 8.206 8.206 8.261 -0.055 19860 169 1 . 1 1 31 31 VAL N N 31 121.640 121.640 124.271 -2.631 19860 170 1 . 1 1 31 31 VAL HA H 31 4.090 4.090 4.108 -0.018 19860 171 1 . 1 1 31 31 VAL C C 31 175.873 175.873 174.637 1.236 19860 172 1 . 1 1 31 31 VAL CA C 31 62.939 62.939 62.074 0.865 19860 173 1 . 1 1 31 31 VAL CB C 31 32.878 32.878 32.788 0.090 19860 174 1 . 1 1 31 31 VAL H H 31 8.242 8.242 7.990 0.252 19860 175 1 . 1 1 32 32 GLU N N 32 125.144 125.144 127.914 -2.770 19860 176 1 . 1 1 32 32 GLU HA H 32 4.417 4.417 4.968 -0.551 19860 177 1 . 1 1 32 32 GLU C C 32 175.532 175.532 175.411 0.121 19860 178 1 . 1 1 32 32 GLU CA C 32 56.886 56.886 55.127 1.759 19860 179 1 . 1 1 32 32 GLU CB C 32 31.059 31.059 30.477 0.582 19860 180 1 . 1 1 32 32 GLU H H 32 8.679 8.679 8.624 0.055 19860 181 1 . 1 1 33 33 LYS N N 33 120.222 120.222 124.789 -4.567 19860 182 1 . 1 1 33 33 LYS HA H 33 4.574 4.574 4.390 0.184 19860 183 1 . 1 1 33 33 LYS C C 33 174.194 174.194 174.939 -0.745 19860 184 1 . 1 1 33 33 LYS CA C 33 55.324 55.324 54.524 0.800 19860 185 1 . 1 1 33 33 LYS CB C 33 35.258 35.258 34.295 0.963 19860 186 1 . 1 1 33 33 LYS H H 33 8.229 8.229 8.564 -0.336 19860 187 1 . 1 1 34 34 TYR N N 34 121.014 121.014 120.752 0.262 19860 188 1 . 1 1 34 34 TYR HA H 34 4.910 4.910 4.802 0.108 19860 189 1 . 1 1 34 34 TYR C C 34 175.667 175.667 176.552 -0.885 19860 190 1 . 1 1 34 34 TYR CA C 34 56.984 56.984 57.549 -0.565 19860 191 1 . 1 1 34 34 TYR CB C 34 40.036 40.036 39.707 0.329 19860 192 1 . 1 1 34 34 TYR H H 34 8.552 8.552 8.335 0.217 19860 193 1 . 1 1 35 35 VAL N N 35 124.624 124.624 121.941 2.683 19860 194 1 . 1 1 35 35 VAL HA H 35 4.301 4.301 3.981 0.320 19860 195 1 . 1 1 35 35 VAL C C 35 175.490 175.490 176.424 -0.934 19860 196 1 . 1 1 35 35 VAL CA C 35 61.869 61.869 62.683 -0.814 19860 197 1 . 1 1 35 35 VAL CB C 35 33.510 33.510 33.176 0.334 19860 198 1 . 1 1 35 35 VAL H H 35 9.337 9.337 8.302 1.035 19860 199 1 . 1 1 36 36 LEU N N 36 127.814 127.814 124.540 3.274 19860 200 1 . 1 1 36 36 LEU HA H 36 4.326 4.326 4.456 -0.130 19860 201 1 . 1 1 36 36 LEU C C 36 177.355 177.355 176.723 0.632 19860 202 1 . 1 1 36 36 LEU CA C 36 56.612 56.612 55.318 1.294 19860 203 1 . 1 1 36 36 LEU CB C 36 41.899 41.899 41.442 0.457 19860 204 1 . 1 1 36 36 LEU H H 36 8.845 8.845 8.429 0.416 19860 205 1 . 1 1 37 37 THR N N 37 112.016 112.016 113.501 -1.485 19860 206 1 . 1 1 37 37 THR HA H 37 4.904 4.904 4.296 0.608 19860 207 1 . 1 1 37 37 THR C C 37 173.228 173.228 174.326 -1.098 19860 208 1 . 1 1 37 37 THR CA C 37 61.023 61.023 61.777 -0.754 19860 209 1 . 1 1 37 37 THR CB C 37 70.829 70.829 69.578 1.251 19860 210 1 . 1 1 37 37 THR H H 37 7.374 7.374 7.630 -0.256 19860 211 1 . 1 1 38 38 SER N N 38 111.049 111.049 118.882 -7.833 19860 212 1 . 1 1 38 38 SER HA H 38 4.635 4.635 4.674 -0.039 19860 213 1 . 1 1 38 38 SER C C 38 174.606 174.606 173.494 1.112 19860 214 1 . 1 1 38 38 SER CA C 38 57.957 57.957 56.953 1.004 19860 215 1 . 1 1 38 38 SER CB C 38 63.849 63.849 63.539 0.310 19860 216 1 . 1 1 38 38 SER H H 38 8.387 8.387 8.207 0.180 19860 217 1 . 1 1 39 39 HIS N N 39 122.230 122.230 122.308 -0.078 19860 218 1 . 1 1 39 39 HIS HA H 39 4.768 4.768 4.305 0.463 19860 219 1 . 1 1 39 39 HIS C C 39 173.143 173.143 174.464 -1.321 19860 220 1 . 1 1 39 39 HIS CA C 39 56.328 56.328 56.808 -0.481 19860 221 1 . 1 1 39 39 HIS CB C 39 29.938 29.938 29.969 -0.031 19860 222 1 . 1 1 39 39 HIS H H 39 8.424 8.424 7.546 0.878 19860 223 1 . 1 1 40 40 VAL N N 40 126.582 126.582 121.376 5.207 19860 224 1 . 1 1 40 40 VAL HA H 40 4.915 4.915 4.670 0.245 19860 225 1 . 1 1 40 40 VAL C C 40 175.763 175.763 175.402 0.361 19860 226 1 . 1 1 40 40 VAL CA C 40 60.612 60.612 60.471 0.141 19860 227 1 . 1 1 40 40 VAL CB C 40 34.085 34.085 33.387 0.698 19860 228 1 . 1 1 40 40 VAL H H 40 8.364 8.364 8.272 0.092 19860 229 1 . 1 1 41 41 SER N N 41 121.067 121.067 119.295 1.772 19860 230 1 . 1 1 41 41 SER HA H 41 4.947 4.947 4.911 0.036 19860 231 1 . 1 1 41 41 SER C C 41 174.505 174.505 174.236 0.269 19860 232 1 . 1 1 41 41 SER CA C 41 57.001 57.001 56.831 0.170 19860 233 1 . 1 1 41 41 SER CB C 41 65.504 65.504 65.389 0.115 19860 234 1 . 1 1 41 41 SER H H 41 9.297 9.297 9.084 0.213 19860 235 1 . 1 1 42 42 LYS N N 42 123.812 123.812 123.088 0.724 19860 236 1 . 1 1 42 42 LYS HA H 42 4.905 4.905 4.331 0.574 19860 237 1 . 1 1 42 42 LYS C C 42 175.037 175.037 175.667 -0.630 19860 238 1 . 1 1 42 42 LYS CA C 42 56.600 56.600 56.528 0.072 19860 239 1 . 1 1 42 42 LYS CB C 42 32.827 32.827 32.600 0.227 19860 240 1 . 1 1 42 42 LYS H H 42 8.962 8.962 8.635 0.327 19860 241 1 . 1 1 43 43 ASN N N 43 115.779 115.779 118.495 -2.716 19860 242 1 . 1 1 43 43 ASN HA H 43 4.906 4.906 4.748 0.158 19860 243 1 . 1 1 43 43 ASN C C 43 173.479 173.479 174.340 -0.861 19860 244 1 . 1 1 43 43 ASN CA C 43 51.840 51.840 52.627 -0.788 19860 245 1 . 1 1 43 43 ASN CB C 43 40.763 40.763 40.300 0.463 19860 246 1 . 1 1 43 43 ASN H H 43 8.053 8.053 7.754 0.299 19860 247 1 . 1 1 44 44 ARG N N 44 124.471 124.471 121.939 2.532 19860 248 1 . 1 1 44 44 ARG HA H 44 3.217 3.217 4.098 -0.881 19860 249 1 . 1 1 44 44 ARG C C 44 173.869 173.869 173.914 -0.045 19860 250 1 . 1 1 44 44 ARG CA C 44 54.034 54.034 53.817 0.217 19860 251 1 . 1 1 44 44 ARG CB C 44 29.917 29.917 30.002 -0.085 19860 252 1 . 1 1 44 44 ARG H H 44 8.565 8.565 8.370 0.195 19860 253 1 . 1 1 45 45 PRO HA H 45 4.123 4.123 4.298 -0.175 19860 254 1 . 1 1 45 45 PRO C C 45 176.434 176.434 176.201 0.233 19860 255 1 . 1 1 45 45 PRO CA C 45 62.292 62.292 62.179 0.113 19860 256 1 . 1 1 45 45 PRO CB C 45 32.110 32.110 32.099 0.011 19860 257 1 . 1 1 46 46 LYS N N 46 122.529 122.529 122.275 0.254 19860 258 1 . 1 1 46 46 LYS HA H 46 4.110 4.110 4.178 -0.068 19860 259 1 . 1 1 46 46 LYS C C 46 176.931 176.931 176.778 0.153 19860 260 1 . 1 1 46 46 LYS CA C 46 57.000 57.000 57.222 -0.222 19860 261 1 . 1 1 46 46 LYS CB C 46 33.095 33.095 32.814 0.281 19860 262 1 . 1 1 46 46 LYS H H 46 8.470 8.470 8.409 0.061 19860 263 1 . 1 1 47 47 ASN N N 47 117.122 117.122 118.607 -1.485 19860 264 1 . 1 1 47 47 ASN HA H 47 4.589 4.589 4.757 -0.168 19860 265 1 . 1 1 47 47 ASN C C 47 174.011 174.011 174.007 0.004 19860 266 1 . 1 1 47 47 ASN CA C 47 53.493 53.493 52.932 0.561 19860 267 1 . 1 1 47 47 ASN CB C 47 37.868 37.868 38.188 -0.320 19860 268 1 . 1 1 47 47 ASN H H 47 8.745 8.745 8.176 0.569 19860 269 1 . 1 1 48 48 ALA N N 48 119.908 119.908 123.713 -3.805 19860 270 1 . 1 1 48 48 ALA HA H 48 4.609 4.609 4.544 0.065 19860 271 1 . 1 1 48 48 ALA C C 48 176.506 176.506 175.919 0.587 19860 272 1 . 1 1 48 48 ALA CA C 48 51.136 51.136 51.429 -0.293 19860 273 1 . 1 1 48 48 ALA CB C 48 22.389 22.389 21.323 1.066 19860 274 1 . 1 1 48 48 ALA H H 48 7.394 7.394 7.686 -0.292 19860 275 1 . 1 1 49 49 ILE N N 49 123.192 123.192 121.996 1.196 19860 276 1 . 1 1 49 49 ILE HA H 49 4.140 4.140 4.378 -0.238 19860 277 1 . 1 1 49 49 ILE C C 49 174.731 174.731 175.297 -0.566 19860 278 1 . 1 1 49 49 ILE CA C 49 61.597 61.597 60.316 1.281 19860 279 1 . 1 1 49 49 ILE CB C 49 38.166 38.166 37.364 0.802 19860 280 1 . 1 1 49 49 ILE H H 49 8.878 8.878 8.687 0.191 19860 281 1 . 1 1 50 50 VAL N N 50 127.552 127.552 123.671 3.881 19860 282 1 . 1 1 50 50 VAL HA H 50 5.289 5.289 5.592 -0.303 19860 283 1 . 1 1 50 50 VAL C C 50 176.411 176.411 175.404 1.007 19860 284 1 . 1 1 50 50 VAL CA C 50 60.499 60.499 59.808 0.691 19860 285 1 . 1 1 50 50 VAL CB C 50 33.890 33.890 33.537 0.353 19860 286 1 . 1 1 50 50 VAL H H 50 8.371 8.371 8.304 0.067 19860 287 1 . 1 1 51 51 ILE N N 51 126.906 126.906 127.126 -0.220 19860 288 1 . 1 1 51 51 ILE HA H 51 4.691 4.691 4.443 0.248 19860 289 1 . 1 1 51 51 ILE C C 51 175.322 175.322 175.164 0.158 19860 290 1 . 1 1 51 51 ILE CA C 51 59.439 59.439 60.248 -0.809 19860 291 1 . 1 1 51 51 ILE CB C 51 41.189 41.189 40.675 0.514 19860 292 1 . 1 1 51 51 ILE H H 51 9.314 9.314 9.022 0.292 19860 293 1 . 1 1 52 52 LYS N N 52 123.523 123.523 127.147 -3.624 19860 294 1 . 1 1 52 52 LYS HA H 52 4.686 4.686 4.496 0.190 19860 295 1 . 1 1 52 52 LYS C C 52 178.237 178.237 177.964 0.273 19860 296 1 . 1 1 52 52 LYS CA C 52 56.120 56.120 56.257 -0.137 19860 297 1 . 1 1 52 52 LYS CB C 52 33.392 33.392 33.637 -0.245 19860 298 1 . 1 1 52 52 LYS H H 52 8.737 8.737 8.757 -0.020 19860 299 1 . 1 1 53 53 MET N N 53 119.701 119.701 123.277 -3.576 19860 300 1 . 1 1 53 53 MET HA H 53 3.908 3.908 4.037 -0.129 19860 301 1 . 1 1 53 53 MET C C 53 177.401 177.401 178.142 -0.741 19860 302 1 . 1 1 53 53 MET CA C 53 58.725 58.725 60.041 -1.316 19860 303 1 . 1 1 53 53 MET CB C 53 33.383 33.383 32.300 1.084 19860 304 1 . 1 1 53 53 MET H H 53 8.799 8.799 8.624 0.175 19860 305 1 . 1 1 54 54 ASP N N 54 113.357 113.357 117.981 -4.624 19860 306 1 . 1 1 54 54 ASP HA H 54 4.288 4.288 4.347 -0.059 19860 307 1 . 1 1 54 54 ASP C C 54 176.649 176.649 177.375 -0.726 19860 308 1 . 1 1 54 54 ASP CA C 54 56.682 56.682 56.596 0.085 19860 309 1 . 1 1 54 54 ASP CB C 54 40.670 40.670 40.686 -0.016 19860 310 1 . 1 1 54 54 ASP H H 54 8.262 8.262 8.538 -0.276 19860 311 1 . 1 1 55 55 ASN N N 55 114.935 114.935 116.421 -1.486 19860 312 1 . 1 1 55 55 ASN HA H 55 5.001 5.001 4.709 0.293 19860 313 1 . 1 1 55 55 ASN C C 55 175.032 175.032 175.492 -0.460 19860 314 1 . 1 1 55 55 ASN CA C 55 52.897 52.897 53.718 -0.821 19860 315 1 . 1 1 55 55 ASN CB C 55 39.184 39.184 39.444 -0.260 19860 316 1 . 1 1 55 55 ASN H H 55 7.971 7.971 7.854 0.117 19860 317 1 . 1 1 56 56 LEU N N 56 120.385 120.385 122.634 -2.249 19860 318 1 . 1 1 56 56 LEU HA H 56 4.488 4.488 4.486 0.003 19860 319 1 . 1 1 56 56 LEU C C 56 174.131 174.131 174.777 -0.646 19860 320 1 . 1 1 56 56 LEU CA C 56 52.912 52.912 51.921 0.991 19860 321 1 . 1 1 56 56 LEU CB C 56 41.958 41.958 41.006 0.952 19860 322 1 . 1 1 56 56 LEU H H 56 7.331 7.331 7.504 -0.173 19860 323 1 . 1 1 57 57 PRO HA H 57 4.617 4.617 4.523 0.094 19860 324 1 . 1 1 57 57 PRO C C 57 178.627 178.627 177.704 0.923 19860 325 1 . 1 1 57 57 PRO CA C 57 62.751 62.751 62.634 0.117 19860 326 1 . 1 1 57 57 PRO CB C 57 32.718 32.718 32.371 0.347 19860 327 1 . 1 1 58 58 ILE N N 58 125.295 125.295 119.552 5.743 19860 328 1 . 1 1 58 58 ILE HA H 58 3.783 3.783 3.761 0.022 19860 329 1 . 1 1 58 58 ILE C C 58 176.776 176.776 177.584 -0.808 19860 330 1 . 1 1 58 58 ILE CA C 58 64.583 64.583 64.173 0.410 19860 331 1 . 1 1 58 58 ILE CB C 58 37.959 37.959 37.347 0.612 19860 332 1 . 1 1 58 58 ILE H H 58 8.882 8.882 8.405 0.477 19860 333 1 . 1 1 59 59 GLU N N 59 118.869 118.869 120.197 -1.328 19860 334 1 . 1 1 59 59 GLU HA H 59 4.254 4.254 4.054 0.200 19860 335 1 . 1 1 59 59 GLU C C 59 179.370 179.370 178.836 0.534 19860 336 1 . 1 1 59 59 GLU CA C 59 59.757 59.757 59.520 0.237 19860 337 1 . 1 1 59 59 GLU CB C 59 29.053 29.053 28.843 0.210 19860 338 1 . 1 1 59 59 GLU H H 59 9.348 9.348 8.703 0.645 19860 339 1 . 1 1 60 60 VAL N N 60 118.990 118.990 120.173 -1.183 19860 340 1 . 1 1 60 60 VAL HA H 60 3.772 3.772 3.634 0.138 19860 341 1 . 1 1 60 60 VAL C C 60 177.451 177.451 177.874 -0.423 19860 342 1 . 1 1 60 60 VAL CA C 60 65.331 65.331 66.195 -0.864 19860 343 1 . 1 1 60 60 VAL CB C 60 31.869 31.869 31.441 0.428 19860 344 1 . 1 1 60 60 VAL H H 60 7.290 7.290 7.552 -0.262 19860 345 1 . 1 1 61 61 LYS N N 61 120.824 120.824 119.780 1.044 19860 346 1 . 1 1 61 61 LYS HA H 61 3.782 3.782 3.871 -0.089 19860 347 1 . 1 1 61 61 LYS C C 61 179.444 179.444 178.729 0.715 19860 348 1 . 1 1 61 61 LYS CA C 61 61.060 61.060 60.059 1.001 19860 349 1 . 1 1 61 61 LYS CB C 61 32.196 32.196 31.876 0.320 19860 350 1 . 1 1 61 61 LYS H H 61 8.043 8.043 8.012 0.031 19860 351 1 . 1 1 62 62 ASP N N 62 119.231 119.231 120.114 -0.883 19860 352 1 . 1 1 62 62 ASP HA H 62 4.427 4.427 4.326 0.101 19860 353 1 . 1 1 62 62 ASP C C 62 178.420 178.420 178.093 0.327 19860 354 1 . 1 1 62 62 ASP CA C 62 57.851 57.851 57.579 0.272 19860 355 1 . 1 1 62 62 ASP CB C 62 40.780 40.780 40.727 0.053 19860 356 1 . 1 1 62 62 ASP H H 62 8.766 8.766 8.240 0.526 19860 357 1 . 1 1 63 63 LYS N N 63 119.623 119.623 119.434 0.189 19860 358 1 . 1 1 63 63 LYS HA H 63 4.025 4.025 4.052 -0.027 19860 359 1 . 1 1 63 63 LYS C C 63 178.866 178.866 179.282 -0.416 19860 360 1 . 1 1 63 63 LYS CA C 63 59.667 59.667 59.014 0.652 19860 361 1 . 1 1 63 63 LYS CB C 63 32.929 32.929 32.365 0.564 19860 362 1 . 1 1 63 63 LYS H H 63 7.391 7.391 7.582 -0.191 19860 363 1 . 1 1 64 64 LEU N N 64 118.806 118.806 119.475 -0.669 19860 364 1 . 1 1 64 64 LEU HA H 64 4.216 4.216 3.834 0.382 19860 365 1 . 1 1 64 64 LEU C C 64 178.793 178.793 178.567 0.226 19860 366 1 . 1 1 64 64 LEU CA C 64 58.011 58.011 57.859 0.152 19860 367 1 . 1 1 64 64 LEU CB C 64 42.251 42.251 41.276 0.975 19860 368 1 . 1 1 64 64 LEU H H 64 8.357 8.357 8.384 -0.027 19860 369 1 . 1 1 65 65 THR N N 65 115.102 115.102 115.098 0.004 19860 370 1 . 1 1 65 65 THR HA H 65 3.920 3.920 3.689 0.231 19860 371 1 . 1 1 65 65 THR C C 65 176.410 176.410 176.494 -0.084 19860 372 1 . 1 1 65 65 THR CA C 65 66.705 66.705 66.811 -0.106 19860 373 1 . 1 1 65 65 THR CB C 65 68.876 68.876 68.407 0.469 19860 374 1 . 1 1 65 65 THR H H 65 8.343 8.343 8.110 0.233 19860 375 1 . 1 1 66 66 ARG N N 66 119.405 119.405 119.717 -0.312 19860 376 1 . 1 1 66 66 ARG HA H 66 4.067 4.067 4.074 -0.007 19860 377 1 . 1 1 66 66 ARG C C 66 177.988 177.988 177.868 0.120 19860 378 1 . 1 1 66 66 ARG CA C 66 58.961 58.961 58.872 0.089 19860 379 1 . 1 1 66 66 ARG CB C 66 30.302 30.302 30.118 0.184 19860 380 1 . 1 1 66 66 ARG H H 66 7.832 7.832 7.906 -0.074 19860 381 1 . 1 1 67 67 PHE N N 67 117.304 117.304 119.628 -2.324 19860 382 1 . 1 1 67 67 PHE HA H 67 4.323 4.323 4.337 -0.014 19860 383 1 . 1 1 67 67 PHE C C 67 177.141 177.141 176.155 0.986 19860 384 1 . 1 1 67 67 PHE CA C 67 59.989 59.989 60.760 -0.771 19860 385 1 . 1 1 67 67 PHE CB C 67 39.269 39.269 40.255 -0.985 19860 386 1 . 1 1 67 67 PHE H H 67 8.190 8.190 7.779 0.411 19860 387 1 . 1 1 68 68 PHE N N 68 114.297 114.297 112.530 1.767 19860 388 1 . 1 1 68 68 PHE HA H 68 4.696 4.696 4.777 -0.081 19860 389 1 . 1 1 68 68 PHE C C 68 175.969 175.969 175.680 0.289 19860 390 1 . 1 1 68 68 PHE CA C 68 59.112 59.112 57.589 1.523 19860 391 1 . 1 1 68 68 PHE CB C 68 40.100 40.100 39.473 0.627 19860 392 1 . 1 1 68 68 PHE H H 68 8.087 8.087 7.733 0.354 19860 393 1 . 1 1 69 69 LEU N N 69 119.594 119.594 121.802 -2.208 19860 394 1 . 1 1 69 69 LEU HA H 69 4.476 4.476 4.457 0.019 19860 395 1 . 1 1 69 69 LEU C C 69 177.425 177.425 177.340 0.085 19860 396 1 . 1 1 69 69 LEU CA C 69 55.805 55.805 55.833 -0.028 19860 397 1 . 1 1 69 69 LEU CB C 69 41.399 41.399 42.517 -1.118 19860 398 1 . 1 1 69 69 LEU H H 69 7.823 7.823 7.302 0.521 19860 399 1 . 1 1 70 70 LEU N N 70 119.723 119.723 117.183 2.540 19860 400 1 . 1 1 70 70 LEU HA H 70 4.341 4.341 4.098 0.243 19860 401 1 . 1 1 70 70 LEU C C 70 177.443 177.443 176.911 0.532 19860 402 1 . 1 1 70 70 LEU CA C 70 55.288 55.288 56.087 -0.799 19860 403 1 . 1 1 70 70 LEU CB C 70 42.205 42.205 40.733 1.472 19860 404 1 . 1 1 70 70 LEU H H 70 7.905 7.905 7.927 -0.022 19860 405 1 . 1 1 71 71 GLU N N 71 120.533 120.533 118.773 1.760 19860 406 1 . 1 1 71 71 GLU HA H 71 4.200 4.200 4.244 -0.044 19860 407 1 . 1 1 71 71 GLU C C 71 176.250 176.250 176.003 0.247 19860 408 1 . 1 1 71 71 GLU CA C 71 56.609 56.609 56.604 0.005 19860 409 1 . 1 1 71 71 GLU CB C 71 30.475 30.475 29.904 0.572 19860 410 1 . 1 1 71 71 GLU H H 71 8.244 8.244 7.929 0.315 19860 411 1 . 1 1 72 72 HIS N N 72 119.783 119.783 120.259 -0.476 19860 412 1 . 1 1 72 72 HIS HA H 72 4.623 4.623 4.642 -0.019 19860 413 1 . 1 1 72 72 HIS C C 72 174.645 174.645 174.577 0.068 19860 414 1 . 1 1 72 72 HIS CA C 72 55.737 55.737 56.185 -0.447 19860 415 1 . 1 1 72 72 HIS CB C 72 29.901 29.901 30.283 -0.382 19860 416 1 . 1 1 72 72 HIS H H 72 8.403 8.403 8.230 0.173 19860 417 1 . 1 1 73 73 HIS N N 73 120.199 120.199 120.288 -0.089 19860 418 1 . 1 1 73 73 HIS HA H 73 4.625 4.625 4.613 0.012 19860 419 1 . 1 1 73 73 HIS C C 73 174.552 174.552 174.540 0.012 19860 420 1 . 1 1 73 73 HIS CA C 73 55.754 55.754 56.430 -0.676 19860 421 1 . 1 1 73 73 HIS CB C 73 29.976 29.976 30.960 -0.984 19860 422 1 . 1 1 73 73 HIS H H 73 8.539 8.539 8.246 0.294 19860 423 1 . 1 1 74 74 HIS N N 74 120.457 120.457 119.570 0.887 19860 424 1 . 1 1 74 74 HIS HA H 74 4.655 4.655 4.528 0.127 19860 425 1 . 1 1 74 74 HIS C C 74 174.638 174.638 174.539 0.099 19860 426 1 . 1 1 74 74 HIS CA C 74 55.771 55.771 56.319 -0.548 19860 427 1 . 1 1 74 74 HIS CB C 74 29.916 29.916 30.333 -0.417 19860 428 1 . 1 1 74 74 HIS H H 74 8.681 8.681 8.377 0.304 19860 429 1 . 1 1 75 75 HIS N N 75 120.782 120.782 120.569 0.213 19860 430 1 . 1 1 75 75 HIS HA H 75 4.671 4.671 4.549 0.122 19860 431 1 . 1 1 75 75 HIS C C 75 174.525 174.525 174.381 0.144 19860 432 1 . 1 1 75 75 HIS CA C 75 55.758 55.758 56.192 -0.434 19860 433 1 . 1 1 75 75 HIS CB C 75 29.934 29.934 30.227 -0.293 19860 434 1 . 1 1 75 75 HIS H H 75 8.755 8.755 8.308 0.447 19860 435 1 . 1 1 76 76 HIS N N 76 120.737 120.737 120.080 0.657 19860 436 1 . 1 1 76 76 HIS HA H 76 4.666 4.666 4.545 0.121 19860 437 1 . 1 1 76 76 HIS C C 76 173.873 173.873 173.967 -0.094 19860 438 1 . 1 1 76 76 HIS CA C 76 55.921 55.921 56.080 -0.160 19860 439 1 . 1 1 76 76 HIS CB C 76 29.848 29.848 30.321 -0.473 19860 440 1 . 1 1 76 76 HIS H H 76 8.693 8.693 8.452 0.241 19860 stop_ save_