data_26047 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 26047 _Entry.PDB_ID 2ND5 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 26047 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 -2 -2 PRO HA H -2 4.485 4.485 4.654 -0.169 26047 2 1 1 . 1 1 -2 -2 PRO C C -2 176.570 176.570 177.582 -1.012 26047 3 1 1 . 1 1 -2 -2 PRO CA C -2 63.243 63.243 63.131 0.112 26047 4 1 1 . 1 1 -2 -2 PRO CB C -2 32.290 32.290 32.008 0.282 26047 5 1 1 . 1 1 -1 -1 SER N N -1 116.659 116.659 114.881 1.778 26047 6 1 1 . 1 1 -1 -1 SER HA H -1 4.422 4.422 4.181 0.241 26047 7 1 1 . 1 1 -1 -1 SER C C -1 174.384 174.384 173.451 0.933 26047 8 1 1 . 1 1 -1 -1 SER CA C -1 58.230 58.230 58.157 0.073 26047 9 1 1 . 1 1 -1 -1 SER CB C -1 63.838 63.838 63.314 0.524 26047 10 1 1 . 1 1 -1 -1 SER H H -1 8.542 8.542 7.986 0.556 26047 11 1 1 . 1 1 0 0 MET N N 0 122.115 122.115 120.139 1.976 26047 12 1 1 . 1 1 0 0 MET HA H 0 4.441 4.441 4.227 0.214 26047 13 1 1 . 1 1 0 0 MET C C 0 176.182 176.182 175.769 0.413 26047 14 1 1 . 1 1 0 0 MET CA C 0 55.346 55.346 56.054 -0.708 26047 15 1 1 . 1 1 0 0 MET CB C 0 33.248 33.248 32.548 0.700 26047 16 1 1 . 1 1 0 0 MET H H 0 8.356 8.356 8.571 -0.215 26047 17 1 1 . 1 1 1 1 GLY N N 1 110.724 110.724 109.807 0.917 26047 18 1 1 . 1 1 1 1 GLY C C 1 172.468 172.468 172.309 0.159 26047 19 1 1 . 1 1 1 1 GLY CA C 1 45.585 45.585 44.723 0.862 26047 20 1 1 . 1 1 1 1 GLY H H 1 8.157 8.157 7.800 0.357 26047 21 1 1 . 1 1 2 2 VAL N N 2 117.765 117.765 119.296 -1.531 26047 22 1 1 . 1 1 2 2 VAL HA H 2 4.889 4.889 5.247 -0.358 26047 23 1 1 . 1 1 2 2 VAL C C 2 173.396 173.396 174.138 -0.742 26047 24 1 1 . 1 1 2 2 VAL CA C 2 59.731 59.731 60.017 -0.286 26047 25 1 1 . 1 1 2 2 VAL CB C 2 34.600 34.600 33.973 0.627 26047 26 1 1 . 1 1 2 2 VAL H H 2 7.471 7.471 7.255 0.216 26047 27 1 1 . 1 1 3 3 GLN N N 3 126.962 126.962 128.956 -1.994 26047 28 1 1 . 1 1 3 3 GLN HA H 3 4.686 4.686 4.607 0.079 26047 29 1 1 . 1 1 3 3 GLN C C 3 174.658 174.658 174.236 0.422 26047 30 1 1 . 1 1 3 3 GLN CA C 3 54.379 54.379 54.781 -0.402 26047 31 1 1 . 1 1 3 3 GLN CB C 3 31.669 31.669 30.736 0.933 26047 32 1 1 . 1 1 3 3 GLN H H 3 8.514 8.514 8.189 0.325 26047 33 1 1 . 1 1 4 4 VAL N N 4 125.396 125.396 124.351 1.045 26047 34 1 1 . 1 1 4 4 VAL HA H 4 4.520 4.520 4.356 0.164 26047 35 1 1 . 1 1 4 4 VAL C C 4 175.411 175.411 175.014 0.397 26047 36 1 1 . 1 1 4 4 VAL CA C 4 61.993 61.993 61.132 0.861 26047 37 1 1 . 1 1 4 4 VAL CB C 4 33.355 33.355 34.349 -0.994 26047 38 1 1 . 1 1 4 4 VAL H H 4 8.823 8.823 8.597 0.226 26047 39 1 1 . 1 1 5 5 GLU N N 5 128.706 128.706 128.851 -0.145 26047 40 1 1 . 1 1 5 5 GLU HA H 5 4.782 4.782 4.684 0.098 26047 41 1 1 . 1 1 5 5 GLU C C 5 175.830 175.830 175.520 0.310 26047 42 1 1 . 1 1 5 5 GLU CA C 5 54.451 54.451 54.569 -0.118 26047 43 1 1 . 1 1 5 5 GLU CB C 5 32.818 32.818 31.569 1.249 26047 44 1 1 . 1 1 5 5 GLU H H 5 9.024 9.024 8.612 0.412 26047 45 1 1 . 1 1 6 6 THR N N 6 124.408 124.408 120.300 4.108 26047 46 1 1 . 1 1 6 6 THR HA H 6 3.898 3.898 4.206 -0.308 26047 47 1 1 . 1 1 6 6 THR C C 6 173.675 173.675 174.176 -0.501 26047 48 1 1 . 1 1 6 6 THR CA C 6 66.715 66.715 63.475 3.240 26047 49 1 1 . 1 1 6 6 THR CB C 6 68.934 68.934 69.304 -0.370 26047 50 1 1 . 1 1 6 6 THR H H 6 9.173 9.173 8.657 0.516 26047 51 1 1 . 1 1 7 7 ILE N N 7 129.476 129.476 127.707 1.769 26047 52 1 1 . 1 1 7 7 ILE HA H 7 4.071 4.071 4.286 -0.215 26047 53 1 1 . 1 1 7 7 ILE C C 7 175.768 175.768 176.225 -0.457 26047 54 1 1 . 1 1 7 7 ILE CA C 7 63.285 63.285 61.864 1.421 26047 55 1 1 . 1 1 7 7 ILE CB C 7 39.659 39.659 39.478 0.181 26047 56 1 1 . 1 1 7 7 ILE H H 7 9.329 9.329 9.046 0.283 26047 57 1 1 . 1 1 8 8 SER N N 8 114.774 114.774 115.372 -0.598 26047 58 1 1 . 1 1 8 8 SER HA H 8 4.987 4.987 4.946 0.041 26047 59 1 1 . 1 1 8 8 SER C C 8 171.895 171.895 172.255 -0.360 26047 60 1 1 . 1 1 8 8 SER CA C 8 55.577 55.577 54.891 0.686 26047 61 1 1 . 1 1 8 8 SER CB C 8 64.384 64.384 64.703 -0.318 26047 62 1 1 . 1 1 8 8 SER H H 8 8.300 8.300 8.006 0.294 26047 63 1 1 . 1 1 9 9 PRO HA H 9 4.331 4.331 4.616 -0.285 26047 64 1 1 . 1 1 9 9 PRO C C 9 177.628 177.628 176.659 0.969 26047 65 1 1 . 1 1 9 9 PRO CA C 9 63.646 63.646 62.495 1.151 26047 66 1 1 . 1 1 9 9 PRO CB C 9 32.910 32.910 32.702 0.208 26047 67 1 1 . 1 1 10 10 GLY N N 10 107.910 107.910 112.406 -4.496 26047 68 1 1 . 1 1 10 10 GLY C C 10 174.203 174.203 174.128 0.075 26047 69 1 1 . 1 1 10 10 GLY CA C 10 44.176 44.176 45.047 -0.871 26047 70 1 1 . 1 1 10 10 GLY H H 10 8.464 8.464 8.143 0.321 26047 71 1 1 . 1 1 11 11 ASP N N 11 118.911 118.911 121.412 -2.501 26047 72 1 1 . 1 1 11 11 ASP HA H 11 4.289 4.289 4.551 -0.262 26047 73 1 1 . 1 1 11 11 ASP C C 11 178.317 178.317 177.381 0.936 26047 74 1 1 . 1 1 11 11 ASP CA C 11 54.629 54.629 55.252 -0.623 26047 75 1 1 . 1 1 11 11 ASP CB C 11 39.382 39.382 42.026 -2.644 26047 76 1 1 . 1 1 11 11 ASP H H 11 8.049 8.049 7.975 0.074 26047 77 1 1 . 1 1 12 12 GLY N N 12 108.262 108.262 107.378 0.884 26047 78 1 1 . 1 1 12 12 GLY C C 12 173.279 173.279 174.432 -1.153 26047 79 1 1 . 1 1 12 12 GLY CA C 12 46.049 46.049 45.893 0.156 26047 80 1 1 . 1 1 12 12 GLY H H 12 8.719 8.719 8.119 0.600 26047 81 1 1 . 1 1 13 13 ARG N N 13 117.671 117.671 116.437 1.234 26047 82 1 1 . 1 1 13 13 ARG HA H 13 4.709 4.709 4.677 0.032 26047 83 1 1 . 1 1 13 13 ARG C C 13 175.038 175.038 174.909 0.129 26047 84 1 1 . 1 1 13 13 ARG CA C 13 56.794 56.794 55.702 1.092 26047 85 1 1 . 1 1 13 13 ARG CB C 13 34.416 34.416 31.692 2.724 26047 86 1 1 . 1 1 13 13 ARG H H 13 8.539 8.539 8.031 0.508 26047 87 1 1 . 1 1 14 14 THR N N 14 125.323 125.323 118.557 6.766 26047 88 1 1 . 1 1 14 14 THR HA H 14 4.205 4.205 4.639 -0.434 26047 89 1 1 . 1 1 14 14 THR C C 14 172.353 172.353 172.700 -0.347 26047 90 1 1 . 1 1 14 14 THR CA C 14 62.060 62.060 61.715 0.345 26047 91 1 1 . 1 1 14 14 THR CB C 14 66.395 66.395 68.896 -2.501 26047 92 1 1 . 1 1 14 14 THR H H 14 10.197 10.197 7.660 2.537 26047 93 1 1 . 1 1 15 15 PHE N N 15 124.865 124.865 126.560 -1.695 26047 94 1 1 . 1 1 15 15 PHE HA H 15 5.232 5.232 5.076 0.156 26047 95 1 1 . 1 1 15 15 PHE C C 15 174.388 174.388 174.835 -0.447 26047 96 1 1 . 1 1 15 15 PHE CA C 15 54.495 54.495 55.023 -0.528 26047 97 1 1 . 1 1 15 15 PHE CB C 15 39.883 39.883 39.564 0.319 26047 98 1 1 . 1 1 15 15 PHE H H 15 8.086 8.086 8.620 -0.534 26047 99 1 1 . 1 1 19 19 GLY N N 19 112.901 112.901 112.646 0.255 26047 100 1 1 . 1 1 19 19 GLY C C 19 174.204 174.204 173.229 0.975 26047 101 1 1 . 1 1 19 19 GLY CA C 19 44.943 44.943 44.989 -0.046 26047 102 1 1 . 1 1 19 19 GLY H H 19 8.682 8.682 8.496 0.186 26047 103 1 1 . 1 1 20 20 GLN N N 20 118.698 118.698 119.742 -1.044 26047 104 1 1 . 1 1 20 20 GLN HA H 20 4.497 4.497 4.630 -0.133 26047 105 1 1 . 1 1 20 20 GLN C C 20 174.974 174.974 175.099 -0.125 26047 106 1 1 . 1 1 20 20 GLN CA C 20 56.335 56.335 54.386 1.949 26047 107 1 1 . 1 1 20 20 GLN CB C 20 30.891 30.891 29.597 1.294 26047 108 1 1 . 1 1 20 20 GLN H H 20 8.103 8.103 7.934 0.169 26047 109 1 1 . 1 1 21 21 THR N N 21 119.715 119.715 115.990 3.725 26047 110 1 1 . 1 1 21 21 THR HA H 21 4.457 4.457 4.709 -0.252 26047 111 1 1 . 1 1 21 21 THR C C 21 173.797 173.797 174.141 -0.344 26047 112 1 1 . 1 1 21 21 THR CA C 21 63.067 63.067 62.087 0.980 26047 113 1 1 . 1 1 21 21 THR CB C 21 68.825 68.825 69.448 -0.623 26047 114 1 1 . 1 1 21 21 THR H H 21 8.729 8.729 8.453 0.276 26047 115 1 1 . 1 1 22 22 CYS N N 22 126.008 126.008 124.101 1.907 26047 116 1 1 . 1 1 22 22 CYS HA H 22 4.269 4.269 4.703 -0.434 26047 117 1 1 . 1 1 22 22 CYS C C 22 172.458 172.458 173.430 -0.972 26047 118 1 1 . 1 1 22 22 CYS CA C 22 58.011 58.011 56.671 1.340 26047 119 1 1 . 1 1 22 22 CYS CB C 22 28.794 28.794 28.603 0.191 26047 120 1 1 . 1 1 22 22 CYS H H 22 8.826 8.826 8.416 0.410 26047 121 1 1 . 1 1 23 23 VAL N N 23 123.456 123.456 130.481 -7.025 26047 122 1 1 . 1 1 23 23 VAL HA H 23 4.595 4.595 4.362 0.233 26047 123 1 1 . 1 1 23 23 VAL C C 23 175.899 175.899 174.793 1.106 26047 124 1 1 . 1 1 23 23 VAL CA C 23 61.411 61.411 62.563 -1.152 26047 125 1 1 . 1 1 23 23 VAL CB C 23 31.277 31.277 31.543 -0.266 26047 126 1 1 . 1 1 23 23 VAL H H 23 8.063 8.063 8.780 -0.717 26047 127 1 1 . 1 1 24 24 VAL N N 24 118.126 118.126 121.251 -3.125 26047 128 1 1 . 1 1 24 24 VAL HA H 24 5.852 5.852 5.018 0.834 26047 129 1 1 . 1 1 24 24 VAL C C 24 175.589 175.589 174.223 1.366 26047 130 1 1 . 1 1 24 24 VAL CA C 24 57.962 57.962 59.270 -1.308 26047 131 1 1 . 1 1 24 24 VAL CB C 24 35.885 35.885 35.646 0.239 26047 132 1 1 . 1 1 24 24 VAL H H 24 9.620 9.620 8.820 0.800 26047 133 1 1 . 1 1 25 25 HIS N N 25 118.824 118.824 123.005 -4.181 26047 134 1 1 . 1 1 25 25 HIS HA H 25 5.865 5.865 5.258 0.607 26047 135 1 1 . 1 1 25 25 HIS C C 25 176.663 176.663 174.942 1.721 26047 136 1 1 . 1 1 25 25 HIS CA C 25 54.463 54.463 55.306 -0.843 26047 137 1 1 . 1 1 25 25 HIS CB C 25 35.454 35.454 31.843 3.611 26047 138 1 1 . 1 1 25 25 HIS H H 25 8.579 8.579 8.225 0.354 26047 139 1 1 . 1 1 26 26 TYR N N 26 118.524 118.524 122.885 -4.361 26047 140 1 1 . 1 1 26 26 TYR HA H 26 6.441 6.441 5.644 0.797 26047 141 1 1 . 1 1 26 26 TYR C C 26 173.864 173.864 174.821 -0.957 26047 142 1 1 . 1 1 26 26 TYR CA C 26 55.934 55.934 55.198 0.736 26047 143 1 1 . 1 1 26 26 TYR CB C 26 44.380 44.380 41.228 3.152 26047 144 1 1 . 1 1 26 26 TYR H H 26 9.937 9.937 9.184 0.753 26047 145 1 1 . 1 1 27 27 THR N N 27 117.098 117.098 114.948 2.150 26047 146 1 1 . 1 1 27 27 THR HA H 27 4.482 4.482 4.395 0.087 26047 147 1 1 . 1 1 27 27 THR C C 27 172.648 172.648 173.270 -0.622 26047 148 1 1 . 1 1 27 27 THR CA C 27 63.163 63.163 61.767 1.396 26047 149 1 1 . 1 1 27 27 THR CB C 27 72.324 72.324 70.243 2.081 26047 150 1 1 . 1 1 27 27 THR H H 27 8.716 8.716 8.672 0.044 26047 151 1 1 . 1 1 28 28 GLY N N 28 115.590 115.590 113.914 1.676 26047 152 1 1 . 1 1 28 28 GLY C C 28 171.083 171.083 171.290 -0.207 26047 153 1 1 . 1 1 28 28 GLY CA C 28 45.419 45.419 43.324 2.095 26047 154 1 1 . 1 1 28 28 GLY H H 28 9.316 9.316 9.108 0.208 26047 155 1 1 . 1 1 29 29 MET N N 29 125.723 125.723 124.279 1.444 26047 156 1 1 . 1 1 29 29 MET HA H 29 5.251 5.251 4.545 0.706 26047 157 1 1 . 1 1 29 29 MET C C 29 175.508 175.508 175.493 0.015 26047 158 1 1 . 1 1 29 29 MET CA C 29 54.221 54.221 54.165 0.056 26047 159 1 1 . 1 1 29 29 MET CB C 29 37.913 37.913 36.853 1.060 26047 160 1 1 . 1 1 29 29 MET H H 29 9.192 9.192 8.737 0.455 26047 161 1 1 . 1 1 30 30 LEU N N 30 119.150 119.150 123.323 -4.173 26047 162 1 1 . 1 1 30 30 LEU HA H 30 4.772 4.772 4.251 0.521 26047 163 1 1 . 1 1 30 30 LEU C C 30 179.278 179.278 178.720 0.558 26047 164 1 1 . 1 1 30 30 LEU CA C 30 54.169 54.169 55.958 -1.789 26047 165 1 1 . 1 1 30 30 LEU CB C 30 41.634 41.634 42.616 -0.982 26047 166 1 1 . 1 1 30 30 LEU H H 30 8.433 8.433 8.781 -0.348 26047 167 1 1 . 1 1 31 31 GLU N N 31 120.636 120.636 120.967 -0.331 26047 168 1 1 . 1 1 31 31 GLU HA H 31 3.816 3.816 4.009 -0.193 26047 169 1 1 . 1 1 31 31 GLU C C 31 176.568 176.568 177.417 -0.849 26047 170 1 1 . 1 1 31 31 GLU CA C 31 59.788 59.788 59.239 0.549 26047 171 1 1 . 1 1 31 31 GLU CB C 31 29.883 29.883 29.697 0.186 26047 172 1 1 . 1 1 31 31 GLU H H 31 9.110 9.110 9.021 0.089 26047 173 1 1 . 1 1 32 32 ASP N N 32 115.429 115.429 115.222 0.207 26047 174 1 1 . 1 1 32 32 ASP HA H 32 4.420 4.420 4.699 -0.279 26047 175 1 1 . 1 1 32 32 ASP C C 32 177.209 177.209 176.253 0.956 26047 176 1 1 . 1 1 32 32 ASP CA C 32 53.556 53.556 54.421 -0.865 26047 177 1 1 . 1 1 32 32 ASP CB C 32 40.030 40.030 41.538 -1.508 26047 178 1 1 . 1 1 32 32 ASP H H 32 7.826 7.826 8.305 -0.479 26047 179 1 1 . 1 1 37 37 ASP N N 37 118.871 118.871 121.661 -2.790 26047 180 1 1 . 1 1 37 37 ASP HA H 37 4.827 4.827 4.656 0.171 26047 181 1 1 . 1 1 37 37 ASP C C 37 174.807 174.807 173.765 1.042 26047 182 1 1 . 1 1 37 37 ASP CA C 37 54.739 54.739 55.325 -0.586 26047 183 1 1 . 1 1 37 37 ASP CB C 37 44.386 44.386 42.683 1.703 26047 184 1 1 . 1 1 37 37 ASP H H 37 6.765 6.765 7.601 -0.836 26047 185 1 1 . 1 1 38 38 SER N N 38 118.532 118.532 119.524 -0.992 26047 186 1 1 . 1 1 38 38 SER HA H 38 4.581 4.581 4.747 -0.166 26047 187 1 1 . 1 1 38 38 SER C C 38 174.967 174.967 174.838 0.129 26047 188 1 1 . 1 1 38 38 SER CA C 38 57.033 57.033 56.329 0.704 26047 189 1 1 . 1 1 38 38 SER CB C 38 64.862 64.862 65.191 -0.329 26047 190 1 1 . 1 1 38 38 SER H H 38 8.196 8.196 8.225 -0.029 26047 191 1 1 . 1 1 39 39 SER N N 39 124.920 124.920 121.881 3.039 26047 192 1 1 . 1 1 39 39 SER HA H 39 4.131 4.131 4.457 -0.326 26047 193 1 1 . 1 1 39 39 SER C C 39 177.101 177.101 176.655 0.446 26047 194 1 1 . 1 1 39 39 SER CA C 39 61.690 61.690 60.359 1.331 26047 195 1 1 . 1 1 39 39 SER CB C 39 61.632 61.632 63.437 -1.805 26047 196 1 1 . 1 1 39 39 SER H H 39 7.872 7.872 8.135 -0.263 26047 197 1 1 . 1 1 40 40 ARG N N 40 124.309 124.309 120.332 3.977 26047 198 1 1 . 1 1 40 40 ARG HA H 40 3.607 3.607 4.237 -0.630 26047 199 1 1 . 1 1 40 40 ARG C C 40 179.844 179.844 178.442 1.402 26047 200 1 1 . 1 1 40 40 ARG CA C 40 58.859 58.859 58.255 0.604 26047 201 1 1 . 1 1 40 40 ARG CB C 40 28.763 28.763 29.310 -0.547 26047 202 1 1 . 1 1 40 40 ARG H H 40 7.617 7.617 7.770 -0.153 26047 203 1 1 . 1 1 41 41 ASP N N 41 118.394 118.394 120.837 -2.443 26047 204 1 1 . 1 1 41 41 ASP HA H 41 4.314 4.314 4.474 -0.160 26047 205 1 1 . 1 1 41 41 ASP C C 41 176.750 176.750 177.168 -0.418 26047 206 1 1 . 1 1 41 41 ASP CA C 41 56.536 56.536 56.590 -0.054 26047 207 1 1 . 1 1 41 41 ASP CB C 41 40.095 40.095 40.879 -0.784 26047 208 1 1 . 1 1 41 41 ASP H H 41 7.079 7.079 7.993 -0.914 26047 209 1 1 . 1 1 42 42 ARG N N 42 115.037 115.037 117.036 -1.999 26047 210 1 1 . 1 1 42 42 ARG HA H 42 4.431 4.431 4.458 -0.027 26047 211 1 1 . 1 1 42 42 ARG C C 42 175.430 175.430 175.901 -0.471 26047 212 1 1 . 1 1 42 42 ARG CA C 42 56.099 56.099 55.489 0.610 26047 213 1 1 . 1 1 42 42 ARG CB C 42 31.577 31.577 30.831 0.747 26047 214 1 1 . 1 1 42 42 ARG H H 42 6.859 6.859 7.811 -0.952 26047 215 1 1 . 1 1 49 49 MET N N 49 123.105 123.105 120.502 2.603 26047 216 1 1 . 1 1 49 49 MET HA H 49 4.681 4.681 4.950 -0.269 26047 217 1 1 . 1 1 49 49 MET C C 49 176.492 176.492 175.052 1.440 26047 218 1 1 . 1 1 49 49 MET CA C 49 54.487 54.487 54.599 -0.112 26047 219 1 1 . 1 1 49 49 MET CB C 49 33.755 33.755 35.310 -1.555 26047 220 1 1 . 1 1 49 49 MET H H 49 9.261 9.261 8.633 0.628 26047 221 1 1 . 1 1 50 50 LEU N N 50 131.689 131.689 123.817 7.872 26047 222 1 1 . 1 1 50 50 LEU HA H 50 4.210 4.210 4.699 -0.489 26047 223 1 1 . 1 1 50 50 LEU C C 50 177.825 177.825 178.042 -0.217 26047 224 1 1 . 1 1 50 50 LEU CA C 50 57.249 57.249 54.321 2.928 26047 225 1 1 . 1 1 50 50 LEU CB C 50 41.752 41.752 41.398 0.354 26047 226 1 1 . 1 1 50 50 LEU H H 50 8.633 8.633 7.796 0.837 26047 227 1 1 . 1 1 54 54 GLU N N 54 117.417 117.417 119.255 -1.838 26047 228 1 1 . 1 1 54 54 GLU HA H 54 4.220 4.220 4.256 -0.036 26047 229 1 1 . 1 1 54 54 GLU C C 54 176.221 176.221 176.021 0.200 26047 230 1 1 . 1 1 54 54 GLU CA C 54 57.447 57.447 57.808 -0.361 26047 231 1 1 . 1 1 54 54 GLU CB C 54 31.200 31.200 30.509 0.691 26047 232 1 1 . 1 1 54 54 GLU H H 54 9.389 9.389 8.825 0.564 26047 233 1 1 . 1 1 55 55 VAL N N 55 108.426 108.426 112.616 -4.190 26047 234 1 1 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.264 0.050 26047 235 1 1 . 1 1 55 55 VAL C C 55 175.226 175.226 174.583 0.643 26047 236 1 1 . 1 1 55 55 VAL CA C 55 57.461 57.461 59.446 -1.985 26047 237 1 1 . 1 1 55 55 VAL CB C 55 35.557 35.557 34.241 1.316 26047 238 1 1 . 1 1 55 55 VAL H H 55 6.820 6.820 7.220 -0.400 26047 239 1 1 . 1 1 56 56 ILE N N 56 111.618 111.618 113.895 -2.277 26047 240 1 1 . 1 1 56 56 ILE HA H 56 3.853 3.853 4.101 -0.248 26047 241 1 1 . 1 1 56 56 ILE C C 56 177.344 177.344 176.118 1.226 26047 242 1 1 . 1 1 56 56 ILE CA C 56 61.975 61.975 60.420 1.555 26047 243 1 1 . 1 1 56 56 ILE CB C 56 38.342 38.342 38.335 0.007 26047 244 1 1 . 1 1 56 56 ILE H H 56 7.404 7.404 7.471 -0.067 26047 245 1 1 . 1 1 57 57 ARG N N 57 124.436 124.436 123.730 0.706 26047 246 1 1 . 1 1 57 57 ARG HA H 57 4.063 4.063 4.009 0.054 26047 247 1 1 . 1 1 57 57 ARG C C 57 179.428 179.428 178.527 0.901 26047 248 1 1 . 1 1 57 57 ARG CA C 57 59.838 59.838 59.668 0.170 26047 249 1 1 . 1 1 57 57 ARG CB C 57 30.630 30.630 30.175 0.455 26047 250 1 1 . 1 1 57 57 ARG H H 57 8.631 8.631 8.458 0.173 26047 251 1 1 . 1 1 58 58 GLY N N 58 107.151 107.151 105.028 2.123 26047 252 1 1 . 1 1 58 58 GLY C C 58 175.210 175.210 175.451 -0.241 26047 253 1 1 . 1 1 58 58 GLY CA C 58 47.621 47.621 46.671 0.950 26047 254 1 1 . 1 1 58 58 GLY H H 58 9.688 9.688 7.984 1.704 26047 255 1 1 . 1 1 59 59 TRP N N 59 119.956 119.956 121.465 -1.509 26047 256 1 1 . 1 1 59 59 TRP HA H 59 4.227 4.227 4.517 -0.290 26047 257 1 1 . 1 1 59 59 TRP C C 59 177.529 177.529 178.607 -1.078 26047 258 1 1 . 1 1 59 59 TRP CA C 59 59.681 59.681 58.682 0.999 26047 259 1 1 . 1 1 59 59 TRP CB C 59 29.092 29.092 29.390 -0.298 26047 260 1 1 . 1 1 59 59 TRP H H 59 7.534 7.534 7.506 0.028 26047 261 1 1 . 1 1 60 60 GLU N N 60 118.374 118.374 118.929 -0.555 26047 262 1 1 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.194 -0.303 26047 263 1 1 . 1 1 60 60 GLU C C 60 178.377 178.377 179.358 -0.981 26047 264 1 1 . 1 1 60 60 GLU CA C 60 61.081 61.081 59.961 1.121 26047 265 1 1 . 1 1 60 60 GLU CB C 60 29.417 29.417 29.529 -0.112 26047 266 1 1 . 1 1 60 60 GLU H H 60 7.275 7.275 8.028 -0.753 26047 267 1 1 . 1 1 61 61 GLU N N 61 113.896 113.896 117.898 -4.002 26047 268 1 1 . 1 1 61 61 GLU HA H 61 4.149 4.149 4.336 -0.187 26047 269 1 1 . 1 1 61 61 GLU C C 61 179.320 179.320 178.303 1.017 26047 270 1 1 . 1 1 61 61 GLU CA C 61 58.633 58.633 57.776 0.857 26047 271 1 1 . 1 1 61 61 GLU CB C 61 29.872 29.872 29.856 0.016 26047 272 1 1 . 1 1 61 61 GLU H H 61 8.390 8.390 8.221 0.169 26047 273 1 1 . 1 1 62 62 GLY N N 62 106.899 106.899 107.920 -1.021 26047 274 1 1 . 1 1 62 62 GLY C C 62 174.585 174.585 175.868 -1.283 26047 275 1 1 . 1 1 62 62 GLY CA C 62 47.194 47.194 46.073 1.121 26047 276 1 1 . 1 1 62 62 GLY H H 62 7.932 7.932 7.672 0.260 26047 277 1 1 . 1 1 63 63 VAL N N 63 120.730 120.730 122.445 -1.715 26047 278 1 1 . 1 1 63 63 VAL HA H 63 3.927 3.927 3.813 0.114 26047 279 1 1 . 1 1 63 63 VAL C C 63 177.334 177.334 177.288 0.046 26047 280 1 1 . 1 1 63 63 VAL CA C 63 65.419 65.419 65.365 0.054 26047 281 1 1 . 1 1 63 63 VAL CB C 63 31.126 31.126 31.977 -0.851 26047 282 1 1 . 1 1 63 63 VAL H H 63 8.688 8.688 8.557 0.131 26047 283 1 1 . 1 1 64 64 ALA N N 64 117.132 117.132 120.370 -3.238 26047 284 1 1 . 1 1 64 64 ALA HA H 64 4.014 4.014 4.310 -0.296 26047 285 1 1 . 1 1 64 64 ALA C C 64 177.759 177.759 178.108 -0.349 26047 286 1 1 . 1 1 64 64 ALA CA C 64 54.526 54.526 53.849 0.677 26047 287 1 1 . 1 1 64 64 ALA CB C 64 18.715 18.715 18.546 0.169 26047 288 1 1 . 1 1 64 64 ALA H H 64 7.160 7.160 8.105 -0.945 26047 289 1 1 . 1 1 65 65 GLN N N 65 112.231 112.231 116.304 -4.073 26047 290 1 1 . 1 1 65 65 GLN HA H 65 4.359 4.359 4.401 -0.042 26047 291 1 1 . 1 1 65 65 GLN C C 65 175.568 175.568 175.792 -0.224 26047 292 1 1 . 1 1 65 65 GLN CA C 65 55.459 55.459 55.945 -0.486 26047 293 1 1 . 1 1 65 65 GLN CB C 65 30.028 30.028 29.527 0.501 26047 294 1 1 . 1 1 65 65 GLN H H 65 7.143 7.143 7.830 -0.687 26047 295 1 1 . 1 1 66 66 MET N N 66 122.412 122.412 118.171 4.241 26047 296 1 1 . 1 1 66 66 MET HA H 66 4.788 4.788 4.781 0.007 26047 297 1 1 . 1 1 66 66 MET C C 66 172.467 172.467 174.578 -2.111 26047 298 1 1 . 1 1 66 66 MET CA C 66 55.118 55.118 54.121 0.997 26047 299 1 1 . 1 1 66 66 MET CB C 66 35.667 35.667 35.521 0.146 26047 300 1 1 . 1 1 66 66 MET H H 66 7.965 7.965 7.515 0.450 26047 301 1 1 . 1 1 67 67 SER N N 67 107.611 107.611 114.073 -6.462 26047 302 1 1 . 1 1 67 67 SER HA H 67 4.833 4.833 4.547 0.286 26047 303 1 1 . 1 1 67 67 SER C C 67 176.275 176.275 174.908 1.367 26047 304 1 1 . 1 1 67 67 SER CA C 67 54.465 54.465 55.900 -1.435 26047 305 1 1 . 1 1 67 67 SER CB C 67 65.982 65.982 65.311 0.671 26047 306 1 1 . 1 1 67 67 SER H H 67 8.182 8.182 7.824 0.358 26047 307 1 1 . 1 1 68 68 VAL N N 68 119.266 119.266 122.099 -2.833 26047 308 1 1 . 1 1 68 68 VAL HA H 68 3.105 3.105 3.530 -0.425 26047 309 1 1 . 1 1 68 68 VAL C C 68 176.390 176.390 176.700 -0.310 26047 310 1 1 . 1 1 68 68 VAL CA C 68 67.074 67.074 65.295 1.779 26047 311 1 1 . 1 1 68 68 VAL CB C 68 31.503 31.503 29.882 1.621 26047 312 1 1 . 1 1 68 68 VAL H H 68 7.650 7.650 8.537 -0.887 26047 313 1 1 . 1 1 69 69 GLY N N 69 116.900 116.900 114.482 2.418 26047 314 1 1 . 1 1 69 69 GLY C C 69 173.934 173.934 173.763 0.171 26047 315 1 1 . 1 1 69 69 GLY CA C 69 44.407 44.407 44.890 -0.483 26047 316 1 1 . 1 1 69 69 GLY H H 69 8.855 8.855 8.771 0.084 26047 317 1 1 . 1 1 70 70 GLN N N 70 123.210 123.210 120.676 2.534 26047 318 1 1 . 1 1 70 70 GLN HA H 70 4.035 4.035 4.783 -0.748 26047 319 1 1 . 1 1 70 70 GLN C C 70 173.663 173.663 174.377 -0.714 26047 320 1 1 . 1 1 70 70 GLN CA C 70 55.788 55.788 54.737 1.051 26047 321 1 1 . 1 1 70 70 GLN CB C 70 30.551 30.551 31.496 -0.945 26047 322 1 1 . 1 1 70 70 GLN H H 70 8.607 8.607 8.035 0.572 26047 323 1 1 . 1 1 71 71 ARG N N 71 124.586 124.586 125.446 -0.860 26047 324 1 1 . 1 1 71 71 ARG HA H 71 5.660 5.660 4.874 0.786 26047 325 1 1 . 1 1 71 71 ARG C C 71 175.582 175.582 173.966 1.616 26047 326 1 1 . 1 1 71 71 ARG CA C 71 53.936 53.936 54.698 -0.762 26047 327 1 1 . 1 1 71 71 ARG CB C 71 33.739 33.739 32.699 1.040 26047 328 1 1 . 1 1 71 71 ARG H H 71 8.802 8.802 8.677 0.125 26047 329 1 1 . 1 1 75 75 THR N N 75 121.856 121.856 121.089 0.767 26047 330 1 1 . 1 1 75 75 THR HA H 75 5.052 5.052 4.739 0.313 26047 331 1 1 . 1 1 75 75 THR C C 75 175.079 175.079 173.735 1.344 26047 332 1 1 . 1 1 75 75 THR CA C 75 63.355 63.355 62.822 0.533 26047 333 1 1 . 1 1 75 75 THR CB C 75 68.790 68.790 69.300 -0.510 26047 334 1 1 . 1 1 75 75 THR H H 75 8.884 8.884 8.747 0.137 26047 335 1 1 . 1 1 76 76 ILE N N 76 129.859 129.859 128.122 1.737 26047 336 1 1 . 1 1 76 76 ILE HA H 76 4.680 4.680 4.706 -0.026 26047 337 1 1 . 1 1 76 76 ILE C C 76 173.943 173.943 175.650 -1.707 26047 338 1 1 . 1 1 76 76 ILE CA C 76 60.898 60.898 58.459 2.439 26047 339 1 1 . 1 1 76 76 ILE CB C 76 41.236 41.236 39.462 1.774 26047 340 1 1 . 1 1 76 76 ILE H H 76 9.864 9.864 8.769 1.095 26047 341 1 1 . 1 1 77 77 SER N N 77 123.243 123.243 120.655 2.588 26047 342 1 1 . 1 1 77 77 SER HA H 77 4.732 4.732 5.116 -0.384 26047 343 1 1 . 1 1 77 77 SER C C 77 173.647 173.647 173.962 -0.315 26047 344 1 1 . 1 1 77 77 SER CA C 77 57.726 57.726 55.656 2.070 26047 345 1 1 . 1 1 77 77 SER CB C 77 62.763 62.763 63.498 -0.735 26047 346 1 1 . 1 1 77 77 SER H H 77 8.612 8.612 8.392 0.220 26047 347 1 1 . 1 1 78 78 PRO HA H 78 4.488 4.488 4.401 0.087 26047 348 1 1 . 1 1 78 78 PRO C C 78 180.133 180.133 177.481 2.652 26047 349 1 1 . 1 1 78 78 PRO CA C 78 65.828 65.828 65.113 0.715 26047 350 1 1 . 1 1 78 78 PRO CB C 78 30.995 30.995 32.190 -1.195 26047 351 1 1 . 1 1 79 79 ASP N N 79 115.934 115.934 115.824 0.110 26047 352 1 1 . 1 1 79 79 ASP HA H 79 4.390 4.390 4.581 -0.191 26047 353 1 1 . 1 1 79 79 ASP C C 79 176.810 176.810 177.087 -0.277 26047 354 1 1 . 1 1 79 79 ASP CA C 79 56.159 56.159 55.880 0.279 26047 355 1 1 . 1 1 79 79 ASP CB C 79 39.361 39.361 40.991 -1.630 26047 356 1 1 . 1 1 79 79 ASP H H 79 8.799 8.799 8.686 0.113 26047 357 1 1 . 1 1 80 80 TYR N N 80 120.969 120.969 118.356 2.613 26047 358 1 1 . 1 1 80 80 TYR HA H 80 4.377 4.377 4.386 -0.009 26047 359 1 1 . 1 1 80 80 TYR C C 80 173.332 173.332 176.588 -3.256 26047 360 1 1 . 1 1 80 80 TYR CA C 80 57.597 57.597 59.544 -1.946 26047 361 1 1 . 1 1 80 80 TYR CB C 80 38.903 38.903 39.704 -0.801 26047 362 1 1 . 1 1 80 80 TYR H H 80 8.116 8.116 7.661 0.455 26047 363 1 1 . 1 1 81 81 ALA N N 81 125.669 125.669 122.686 2.983 26047 364 1 1 . 1 1 81 81 ALA HA H 81 4.421 4.421 3.991 0.430 26047 365 1 1 . 1 1 81 81 ALA C C 81 175.888 175.888 177.219 -1.331 26047 366 1 1 . 1 1 81 81 ALA CA C 81 51.701 51.701 54.498 -2.797 26047 367 1 1 . 1 1 81 81 ALA CB C 81 19.334 19.334 19.093 0.240 26047 368 1 1 . 1 1 81 81 ALA H H 81 7.801 7.801 8.376 -0.575 26047 369 1 1 . 1 1 82 82 TYR N N 82 122.080 122.080 114.985 7.095 26047 370 1 1 . 1 1 82 82 TYR HA H 82 4.566 4.566 4.620 -0.054 26047 371 1 1 . 1 1 82 82 TYR C C 82 176.653 176.653 176.232 0.421 26047 372 1 1 . 1 1 82 82 TYR CA C 82 58.865 58.865 58.439 0.426 26047 373 1 1 . 1 1 82 82 TYR CB C 82 37.995 37.995 42.032 -4.037 26047 374 1 1 . 1 1 82 82 TYR H H 82 9.321 9.321 7.598 1.723 26047 375 1 1 . 1 1 83 83 GLY N N 83 108.394 108.394 106.537 1.857 26047 376 1 1 . 1 1 83 83 GLY C C 83 175.214 175.214 172.966 2.248 26047 377 1 1 . 1 1 83 83 GLY CA C 83 46.827 46.827 45.102 1.725 26047 378 1 1 . 1 1 83 83 GLY H H 83 8.535 8.535 7.896 0.639 26047 379 1 1 . 1 1 84 84 ALA HA H 84 3.273 3.273 4.386 -1.113 26047 380 1 1 . 1 1 84 84 ALA C C 84 177.536 177.536 177.832 -0.296 26047 381 1 1 . 1 1 84 84 ALA CA C 84 53.514 53.514 53.645 -0.131 26047 382 1 1 . 1 1 84 84 ALA CB C 84 19.318 19.318 18.836 0.482 26047 383 1 1 . 1 1 85 85 THR N N 85 109.341 109.341 113.593 -4.252 26047 384 1 1 . 1 1 85 85 THR HA H 85 4.038 4.038 4.204 -0.166 26047 385 1 1 . 1 1 85 85 THR C C 85 177.149 177.149 175.087 2.062 26047 386 1 1 . 1 1 85 85 THR CA C 85 64.040 64.040 62.236 1.804 26047 387 1 1 . 1 1 85 85 THR CB C 85 69.466 69.466 69.723 -0.257 26047 388 1 1 . 1 1 85 85 THR H H 85 7.927 7.927 7.933 -0.006 26047 389 1 1 . 1 1 86 86 GLY N N 86 106.961 106.961 109.118 -2.157 26047 390 1 1 . 1 1 86 86 GLY C C 86 171.567 171.567 173.170 -1.603 26047 391 1 1 . 1 1 86 86 GLY CA C 86 45.151 45.151 44.721 0.430 26047 392 1 1 . 1 1 86 86 GLY H H 86 7.341 7.341 7.805 -0.464 26047 393 1 1 . 1 1 87 87 HIS N N 87 121.870 121.870 120.393 1.477 26047 394 1 1 . 1 1 87 87 HIS HA H 87 4.967 4.967 4.664 0.303 26047 395 1 1 . 1 1 87 87 HIS C C 87 172.750 172.750 173.654 -0.904 26047 396 1 1 . 1 1 87 87 HIS CA C 87 53.029 53.029 52.639 0.390 26047 397 1 1 . 1 1 87 87 HIS CB C 87 32.349 32.349 30.677 1.672 26047 398 1 1 . 1 1 87 87 HIS H H 87 8.799 8.799 8.054 0.745 26047 399 1 1 . 1 1 88 88 PRO HA H 88 4.132 4.132 4.299 -0.167 26047 400 1 1 . 1 1 88 88 PRO C C 88 176.585 176.585 177.395 -0.810 26047 401 1 1 . 1 1 88 88 PRO CA C 88 65.123 65.123 63.658 1.464 26047 402 1 1 . 1 1 88 88 PRO CB C 88 31.851 31.851 31.698 0.153 26047 403 1 1 . 1 1 89 89 GLY N N 89 113.445 113.445 113.290 0.155 26047 404 1 1 . 1 1 89 89 GLY C C 89 174.030 174.030 174.725 -0.695 26047 405 1 1 . 1 1 89 89 GLY CA C 89 45.251 45.251 45.138 0.113 26047 406 1 1 . 1 1 89 89 GLY H H 89 8.571 8.571 8.698 -0.127 26047 407 1 1 . 1 1 90 90 ILE N N 90 118.128 118.128 121.117 -2.989 26047 408 1 1 . 1 1 90 90 ILE HA H 90 4.252 4.252 4.216 0.036 26047 409 1 1 . 1 1 90 90 ILE C C 90 174.403 174.403 175.912 -1.509 26047 410 1 1 . 1 1 90 90 ILE CA C 90 62.855 62.855 62.538 0.316 26047 411 1 1 . 1 1 90 90 ILE CB C 90 41.565 41.565 39.022 2.543 26047 412 1 1 . 1 1 90 90 ILE H H 90 8.103 8.103 7.626 0.477 26047 413 1 1 . 1 1 91 91 ILE N N 91 119.444 119.444 120.398 -0.954 26047 414 1 1 . 1 1 91 91 ILE HA H 91 4.506 4.506 4.334 0.172 26047 415 1 1 . 1 1 91 91 ILE C C 91 174.345 174.345 173.834 0.511 26047 416 1 1 . 1 1 91 91 ILE CA C 91 56.335 56.335 57.002 -0.667 26047 417 1 1 . 1 1 91 91 ILE CB C 91 40.719 40.719 36.720 3.999 26047 418 1 1 . 1 1 91 91 ILE H H 91 8.241 8.241 7.535 0.706 26047 419 1 1 . 1 1 92 92 PRO HA H 92 4.717 4.717 4.691 0.026 26047 420 1 1 . 1 1 92 92 PRO CB C 92 31.011 31.011 31.388 -0.377 26047 421 1 1 . 1 1 93 93 PRO HA H 93 3.617 3.617 4.338 -0.721 26047 422 1 1 . 1 1 93 93 PRO C C 93 175.714 175.714 176.672 -0.958 26047 423 1 1 . 1 1 93 93 PRO CA C 93 63.618 63.618 63.219 0.399 26047 424 1 1 . 1 1 93 93 PRO CB C 93 33.171 33.171 32.455 0.716 26047 425 1 1 . 1 1 94 94 HIS N N 94 115.851 115.851 115.442 0.409 26047 426 1 1 . 1 1 94 94 HIS HA H 94 3.804 3.804 4.234 -0.430 26047 427 1 1 . 1 1 94 94 HIS C C 94 173.821 173.821 173.847 -0.026 26047 428 1 1 . 1 1 94 94 HIS CA C 94 57.145 57.145 57.127 0.018 26047 429 1 1 . 1 1 94 94 HIS CB C 94 27.977 27.977 28.083 -0.106 26047 430 1 1 . 1 1 94 94 HIS H H 94 7.934 7.934 8.285 -0.351 26047 431 1 1 . 1 1 95 95 ALA N N 95 122.072 122.072 120.956 1.116 26047 432 1 1 . 1 1 95 95 ALA HA H 95 4.459 4.459 4.643 -0.184 26047 433 1 1 . 1 1 95 95 ALA C C 95 177.246 177.246 175.518 1.728 26047 434 1 1 . 1 1 95 95 ALA CA C 95 52.728 52.728 50.862 1.865 26047 435 1 1 . 1 1 95 95 ALA CB C 95 20.567 20.567 21.831 -1.264 26047 436 1 1 . 1 1 95 95 ALA H H 95 7.706 7.706 7.763 -0.057 26047 437 1 1 . 1 1 96 96 THR N N 96 122.875 122.875 119.022 3.853 26047 438 1 1 . 1 1 96 96 THR HA H 96 4.650 4.650 4.505 0.145 26047 439 1 1 . 1 1 96 96 THR C C 96 173.818 173.818 173.952 -0.134 26047 440 1 1 . 1 1 96 96 THR CA C 96 63.778 63.778 63.578 0.200 26047 441 1 1 . 1 1 96 96 THR CB C 96 69.588 69.588 69.656 -0.069 26047 442 1 1 . 1 1 96 96 THR H H 96 8.448 8.448 8.254 0.194 26047 443 1 1 . 1 1 97 97 LEU N N 97 124.809 124.809 124.805 0.004 26047 444 1 1 . 1 1 97 97 LEU HA H 97 5.110 5.110 4.687 0.423 26047 445 1 1 . 1 1 97 97 LEU C C 97 175.041 175.041 175.323 -0.282 26047 446 1 1 . 1 1 97 97 LEU CA C 97 52.832 52.832 54.083 -1.251 26047 447 1 1 . 1 1 97 97 LEU CB C 97 46.391 46.391 45.331 1.060 26047 448 1 1 . 1 1 97 97 LEU H H 97 8.725 8.725 9.048 -0.323 26047 449 1 1 . 1 1 98 98 VAL N N 98 121.081 121.081 119.017 2.064 26047 450 1 1 . 1 1 98 98 VAL HA H 98 5.215 5.215 4.570 0.645 26047 451 1 1 . 1 1 98 98 VAL C C 98 175.150 175.150 174.429 0.721 26047 452 1 1 . 1 1 98 98 VAL CA C 98 60.662 60.662 61.577 -0.915 26047 453 1 1 . 1 1 98 98 VAL CB C 98 34.355 34.355 34.037 0.318 26047 454 1 1 . 1 1 98 98 VAL H H 98 8.692 8.692 8.634 0.058 26047 455 1 1 . 1 1 99 99 PHE N N 99 123.638 123.638 125.971 -2.333 26047 456 1 1 . 1 1 99 99 PHE HA H 99 5.754 5.754 5.623 0.131 26047 457 1 1 . 1 1 99 99 PHE C C 99 174.328 174.328 174.121 0.207 26047 458 1 1 . 1 1 99 99 PHE CA C 99 55.196 55.196 56.449 -1.253 26047 459 1 1 . 1 1 99 99 PHE CB C 99 43.396 43.396 43.790 -0.394 26047 460 1 1 . 1 1 99 99 PHE H H 99 9.724 9.724 9.297 0.427 26047 461 1 1 . 1 1 100 100 ASP N N 100 124.358 124.358 124.613 -0.255 26047 462 1 1 . 1 1 100 100 ASP HA H 100 5.164 5.164 5.036 0.128 26047 463 1 1 . 1 1 100 100 ASP C C 100 176.946 176.946 175.299 1.647 26047 464 1 1 . 1 1 100 100 ASP CA C 100 52.778 52.778 53.119 -0.341 26047 465 1 1 . 1 1 100 100 ASP CB C 100 42.320 42.320 43.499 -1.179 26047 466 1 1 . 1 1 100 100 ASP H H 100 8.775 8.775 8.563 0.212 26047 467 1 1 . 1 1 101 101 VAL N N 101 126.428 126.428 121.541 4.887 26047 468 1 1 . 1 1 101 101 VAL HA H 101 5.057 5.057 5.491 -0.434 26047 469 1 1 . 1 1 101 101 VAL C C 101 172.620 172.620 174.138 -1.518 26047 470 1 1 . 1 1 101 101 VAL CA C 101 61.041 61.041 58.545 2.496 26047 471 1 1 . 1 1 101 101 VAL CB C 101 35.481 35.481 34.315 1.166 26047 472 1 1 . 1 1 101 101 VAL H H 101 9.513 9.513 7.748 1.765 26047 473 1 1 . 1 1 102 102 GLU N N 102 128.393 128.393 120.466 7.927 26047 474 1 1 . 1 1 102 102 GLU HA H 102 5.392 5.392 4.932 0.460 26047 475 1 1 . 1 1 102 102 GLU C C 102 175.174 175.174 175.164 0.010 26047 476 1 1 . 1 1 102 102 GLU CA C 102 53.979 53.979 53.901 0.078 26047 477 1 1 . 1 1 102 102 GLU CB C 102 33.852 33.852 32.260 1.592 26047 478 1 1 . 1 1 102 102 GLU H H 102 9.285 9.285 8.099 1.186 26047 479 1 1 . 1 1 103 103 LEU N N 103 128.290 128.290 126.610 1.680 26047 480 1 1 . 1 1 103 103 LEU HA H 103 4.671 4.671 4.255 0.416 26047 481 1 1 . 1 1 103 103 LEU C C 103 174.266 174.266 175.961 -1.695 26047 482 1 1 . 1 1 103 103 LEU CA C 103 54.356 54.356 55.311 -0.955 26047 483 1 1 . 1 1 103 103 LEU CB C 103 41.465 41.465 41.914 -0.449 26047 484 1 1 . 1 1 103 103 LEU H H 103 8.613 8.613 8.694 -0.081 26047 485 1 2 . 1 1 -2 -2 PRO HA H -2 4.485 4.485 4.694 -0.209 26047 486 1 2 . 1 1 -2 -2 PRO C C -2 176.570 176.570 177.583 -1.013 26047 487 1 2 . 1 1 -2 -2 PRO CA C -2 63.243 63.243 64.448 -1.205 26047 488 1 2 . 1 1 -2 -2 PRO CB C -2 32.290 32.290 32.560 -0.270 26047 489 1 2 . 1 1 -1 -1 SER N N -1 116.659 116.659 110.158 6.501 26047 490 1 2 . 1 1 -1 -1 SER HA H -1 4.422 4.422 4.617 -0.195 26047 491 1 2 . 1 1 -1 -1 SER C C -1 174.384 174.384 175.112 -0.728 26047 492 1 2 . 1 1 -1 -1 SER CA C -1 58.230 58.230 58.403 -0.173 26047 493 1 2 . 1 1 -1 -1 SER CB C -1 63.838 63.838 63.814 0.024 26047 494 1 2 . 1 1 -1 -1 SER H H -1 8.542 8.542 7.939 0.603 26047 495 1 2 . 1 1 0 0 MET N N 0 122.115 122.115 118.850 3.265 26047 496 1 2 . 1 1 0 0 MET HA H 0 4.441 4.441 4.730 -0.289 26047 497 1 2 . 1 1 0 0 MET C C 0 176.182 176.182 176.071 0.111 26047 498 1 2 . 1 1 0 0 MET CA C 0 55.346 55.346 56.077 -0.731 26047 499 1 2 . 1 1 0 0 MET CB C 0 33.248 33.248 34.531 -1.283 26047 500 1 2 . 1 1 0 0 MET H H 0 8.356 8.356 7.892 0.464 26047 501 1 2 . 1 1 1 1 GLY N N 1 110.724 110.724 106.572 4.152 26047 502 1 2 . 1 1 1 1 GLY C C 1 172.468 172.468 172.351 0.117 26047 503 1 2 . 1 1 1 1 GLY CA C 1 45.585 45.585 45.056 0.529 26047 504 1 2 . 1 1 1 1 GLY H H 1 8.157 8.157 8.051 0.106 26047 505 1 2 . 1 1 2 2 VAL N N 2 117.765 117.765 121.520 -3.755 26047 506 1 2 . 1 1 2 2 VAL HA H 2 4.889 4.889 5.252 -0.363 26047 507 1 2 . 1 1 2 2 VAL C C 2 173.396 173.396 174.160 -0.764 26047 508 1 2 . 1 1 2 2 VAL CA C 2 59.731 59.731 59.684 0.047 26047 509 1 2 . 1 1 2 2 VAL CB C 2 34.600 34.600 33.326 1.274 26047 510 1 2 . 1 1 2 2 VAL H H 2 7.471 7.471 7.386 0.085 26047 511 1 2 . 1 1 3 3 GLN N N 3 126.962 126.962 128.809 -1.847 26047 512 1 2 . 1 1 3 3 GLN HA H 3 4.686 4.686 4.649 0.037 26047 513 1 2 . 1 1 3 3 GLN C C 3 174.658 174.658 174.133 0.525 26047 514 1 2 . 1 1 3 3 GLN CA C 3 54.379 54.379 54.712 -0.334 26047 515 1 2 . 1 1 3 3 GLN CB C 3 31.669 31.669 31.135 0.534 26047 516 1 2 . 1 1 3 3 GLN H H 3 8.514 8.514 8.131 0.383 26047 517 1 2 . 1 1 4 4 VAL N N 4 125.396 125.396 123.809 1.587 26047 518 1 2 . 1 1 4 4 VAL HA H 4 4.520 4.520 4.369 0.151 26047 519 1 2 . 1 1 4 4 VAL C C 4 175.411 175.411 174.799 0.612 26047 520 1 2 . 1 1 4 4 VAL CA C 4 61.993 61.993 61.077 0.916 26047 521 1 2 . 1 1 4 4 VAL CB C 4 33.355 33.355 33.509 -0.154 26047 522 1 2 . 1 1 4 4 VAL H H 4 8.823 8.823 8.628 0.195 26047 523 1 2 . 1 1 5 5 GLU N N 5 128.706 128.706 128.931 -0.225 26047 524 1 2 . 1 1 5 5 GLU HA H 5 4.782 4.782 4.651 0.131 26047 525 1 2 . 1 1 5 5 GLU C C 5 175.830 175.830 175.506 0.324 26047 526 1 2 . 1 1 5 5 GLU CA C 5 54.451 54.451 54.435 0.016 26047 527 1 2 . 1 1 5 5 GLU CB C 5 32.818 32.818 31.616 1.202 26047 528 1 2 . 1 1 5 5 GLU H H 5 9.024 9.024 8.609 0.415 26047 529 1 2 . 1 1 6 6 THR N N 6 124.408 124.408 120.250 4.158 26047 530 1 2 . 1 1 6 6 THR HA H 6 3.898 3.898 4.274 -0.376 26047 531 1 2 . 1 1 6 6 THR C C 6 173.675 173.675 174.040 -0.365 26047 532 1 2 . 1 1 6 6 THR CA C 6 66.715 66.715 63.671 3.044 26047 533 1 2 . 1 1 6 6 THR CB C 6 68.934 68.934 69.208 -0.274 26047 534 1 2 . 1 1 6 6 THR H H 6 9.173 9.173 8.682 0.491 26047 535 1 2 . 1 1 7 7 ILE N N 7 129.476 129.476 126.535 2.941 26047 536 1 2 . 1 1 7 7 ILE HA H 7 4.071 4.071 4.288 -0.217 26047 537 1 2 . 1 1 7 7 ILE C C 7 175.768 175.768 176.453 -0.685 26047 538 1 2 . 1 1 7 7 ILE CA C 7 63.285 63.285 61.900 1.385 26047 539 1 2 . 1 1 7 7 ILE CB C 7 39.659 39.659 39.411 0.248 26047 540 1 2 . 1 1 7 7 ILE H H 7 9.329 9.329 9.010 0.319 26047 541 1 2 . 1 1 8 8 SER N N 8 114.774 114.774 115.769 -0.995 26047 542 1 2 . 1 1 8 8 SER HA H 8 4.987 4.987 4.958 0.029 26047 543 1 2 . 1 1 8 8 SER C C 8 171.895 171.895 172.138 -0.243 26047 544 1 2 . 1 1 8 8 SER CA C 8 55.577 55.577 55.022 0.555 26047 545 1 2 . 1 1 8 8 SER CB C 8 64.384 64.384 64.796 -0.412 26047 546 1 2 . 1 1 8 8 SER H H 8 8.300 8.300 8.074 0.226 26047 547 1 2 . 1 1 9 9 PRO HA H 9 4.331 4.331 4.612 -0.281 26047 548 1 2 . 1 1 9 9 PRO C C 9 177.628 177.628 176.611 1.017 26047 549 1 2 . 1 1 9 9 PRO CA C 9 63.646 63.646 62.518 1.128 26047 550 1 2 . 1 1 9 9 PRO CB C 9 32.910 32.910 32.345 0.565 26047 551 1 2 . 1 1 10 10 GLY N N 10 107.910 107.910 112.455 -4.545 26047 552 1 2 . 1 1 10 10 GLY C C 10 174.203 174.203 174.142 0.061 26047 553 1 2 . 1 1 10 10 GLY CA C 10 44.176 44.176 45.055 -0.879 26047 554 1 2 . 1 1 10 10 GLY H H 10 8.464 8.464 8.142 0.322 26047 555 1 2 . 1 1 11 11 ASP N N 11 118.911 118.911 121.437 -2.526 26047 556 1 2 . 1 1 11 11 ASP HA H 11 4.289 4.289 4.546 -0.257 26047 557 1 2 . 1 1 11 11 ASP C C 11 178.317 178.317 177.402 0.915 26047 558 1 2 . 1 1 11 11 ASP CA C 11 54.629 54.629 55.245 -0.616 26047 559 1 2 . 1 1 11 11 ASP CB C 11 39.382 39.382 41.986 -2.604 26047 560 1 2 . 1 1 11 11 ASP H H 11 8.049 8.049 7.972 0.077 26047 561 1 2 . 1 1 12 12 GLY N N 12 108.262 108.262 107.376 0.886 26047 562 1 2 . 1 1 12 12 GLY C C 12 173.279 173.279 174.427 -1.148 26047 563 1 2 . 1 1 12 12 GLY CA C 12 46.049 46.049 45.911 0.138 26047 564 1 2 . 1 1 12 12 GLY H H 12 8.719 8.719 8.122 0.597 26047 565 1 2 . 1 1 13 13 ARG N N 13 117.671 117.671 116.860 0.811 26047 566 1 2 . 1 1 13 13 ARG HA H 13 4.709 4.709 4.654 0.055 26047 567 1 2 . 1 1 13 13 ARG C C 13 175.038 175.038 174.881 0.157 26047 568 1 2 . 1 1 13 13 ARG CA C 13 56.794 56.794 55.758 1.036 26047 569 1 2 . 1 1 13 13 ARG CB C 13 34.416 34.416 31.598 2.818 26047 570 1 2 . 1 1 13 13 ARG H H 13 8.539 8.539 8.024 0.515 26047 571 1 2 . 1 1 14 14 THR N N 14 125.323 125.323 118.444 6.879 26047 572 1 2 . 1 1 14 14 THR HA H 14 4.205 4.205 4.627 -0.422 26047 573 1 2 . 1 1 14 14 THR C C 14 172.353 172.353 172.765 -0.412 26047 574 1 2 . 1 1 14 14 THR CA C 14 62.060 62.060 61.853 0.207 26047 575 1 2 . 1 1 14 14 THR CB C 14 66.395 66.395 68.948 -2.553 26047 576 1 2 . 1 1 14 14 THR H H 14 10.197 10.197 7.612 2.585 26047 577 1 2 . 1 1 15 15 PHE N N 15 124.865 124.865 126.621 -1.756 26047 578 1 2 . 1 1 15 15 PHE HA H 15 5.232 5.232 5.116 0.116 26047 579 1 2 . 1 1 15 15 PHE C C 15 174.388 174.388 174.780 -0.392 26047 580 1 2 . 1 1 15 15 PHE CA C 15 54.495 54.495 55.033 -0.538 26047 581 1 2 . 1 1 15 15 PHE CB C 15 39.883 39.883 39.510 0.373 26047 582 1 2 . 1 1 15 15 PHE H H 15 8.086 8.086 8.639 -0.553 26047 583 1 2 . 1 1 19 19 GLY N N 19 112.901 112.901 112.924 -0.023 26047 584 1 2 . 1 1 19 19 GLY C C 19 174.204 174.204 173.418 0.786 26047 585 1 2 . 1 1 19 19 GLY CA C 19 44.943 44.943 45.405 -0.462 26047 586 1 2 . 1 1 19 19 GLY H H 19 8.682 8.682 8.492 0.190 26047 587 1 2 . 1 1 20 20 GLN N N 20 118.698 118.698 119.941 -1.243 26047 588 1 2 . 1 1 20 20 GLN HA H 20 4.497 4.497 4.699 -0.202 26047 589 1 2 . 1 1 20 20 GLN C C 20 174.974 174.974 174.441 0.533 26047 590 1 2 . 1 1 20 20 GLN CA C 20 56.335 56.335 53.663 2.672 26047 591 1 2 . 1 1 20 20 GLN CB C 20 30.891 30.891 29.786 1.105 26047 592 1 2 . 1 1 20 20 GLN H H 20 8.103 8.103 7.996 0.107 26047 593 1 2 . 1 1 21 21 THR N N 21 119.715 119.715 116.404 3.311 26047 594 1 2 . 1 1 21 21 THR HA H 21 4.457 4.457 4.858 -0.401 26047 595 1 2 . 1 1 21 21 THR C C 21 173.797 173.797 174.381 -0.584 26047 596 1 2 . 1 1 21 21 THR CA C 21 63.067 63.067 62.395 0.672 26047 597 1 2 . 1 1 21 21 THR CB C 21 68.825 68.825 69.553 -0.728 26047 598 1 2 . 1 1 21 21 THR H H 21 8.729 8.729 8.485 0.244 26047 599 1 2 . 1 1 22 22 CYS N N 22 126.008 126.008 125.070 0.938 26047 600 1 2 . 1 1 22 22 CYS HA H 22 4.269 4.269 4.709 -0.440 26047 601 1 2 . 1 1 22 22 CYS C C 22 172.458 172.458 173.784 -1.326 26047 602 1 2 . 1 1 22 22 CYS CA C 22 58.011 58.011 58.172 -0.161 26047 603 1 2 . 1 1 22 22 CYS CB C 22 28.794 28.794 29.665 -0.871 26047 604 1 2 . 1 1 22 22 CYS H H 22 8.826 8.826 8.530 0.296 26047 605 1 2 . 1 1 23 23 VAL N N 23 123.456 123.456 127.677 -4.221 26047 606 1 2 . 1 1 23 23 VAL HA H 23 4.595 4.595 4.244 0.351 26047 607 1 2 . 1 1 23 23 VAL C C 23 175.899 175.899 174.842 1.057 26047 608 1 2 . 1 1 23 23 VAL CA C 23 61.411 61.411 62.687 -1.276 26047 609 1 2 . 1 1 23 23 VAL CB C 23 31.277 31.277 31.383 -0.105 26047 610 1 2 . 1 1 23 23 VAL H H 23 8.063 8.063 8.839 -0.776 26047 611 1 2 . 1 1 24 24 VAL N N 24 118.126 118.126 120.681 -2.555 26047 612 1 2 . 1 1 24 24 VAL HA H 24 5.852 5.852 5.001 0.851 26047 613 1 2 . 1 1 24 24 VAL C C 24 175.589 175.589 174.372 1.217 26047 614 1 2 . 1 1 24 24 VAL CA C 24 57.962 57.962 59.621 -1.659 26047 615 1 2 . 1 1 24 24 VAL CB C 24 35.885 35.885 36.275 -0.390 26047 616 1 2 . 1 1 24 24 VAL H H 24 9.620 9.620 8.742 0.878 26047 617 1 2 . 1 1 25 25 HIS N N 25 118.824 118.824 122.974 -4.150 26047 618 1 2 . 1 1 25 25 HIS HA H 25 5.865 5.865 5.129 0.736 26047 619 1 2 . 1 1 25 25 HIS C C 25 176.663 176.663 174.132 2.531 26047 620 1 2 . 1 1 25 25 HIS CA C 25 54.463 54.463 55.624 -1.161 26047 621 1 2 . 1 1 25 25 HIS CB C 25 35.454 35.454 31.871 3.583 26047 622 1 2 . 1 1 25 25 HIS H H 25 8.579 8.579 8.307 0.272 26047 623 1 2 . 1 1 26 26 TYR N N 26 118.524 118.524 122.465 -3.941 26047 624 1 2 . 1 1 26 26 TYR HA H 26 6.441 6.441 5.649 0.792 26047 625 1 2 . 1 1 26 26 TYR C C 26 173.864 173.864 174.739 -0.875 26047 626 1 2 . 1 1 26 26 TYR CA C 26 55.934 55.934 55.145 0.789 26047 627 1 2 . 1 1 26 26 TYR CB C 26 44.380 44.380 40.678 3.702 26047 628 1 2 . 1 1 26 26 TYR H H 26 9.937 9.937 8.484 1.453 26047 629 1 2 . 1 1 27 27 THR N N 27 117.098 117.098 114.612 2.486 26047 630 1 2 . 1 1 27 27 THR HA H 27 4.482 4.482 4.448 0.034 26047 631 1 2 . 1 1 27 27 THR C C 27 172.648 172.648 173.285 -0.637 26047 632 1 2 . 1 1 27 27 THR CA C 27 63.163 63.163 62.020 1.143 26047 633 1 2 . 1 1 27 27 THR CB C 27 72.324 72.324 70.253 2.071 26047 634 1 2 . 1 1 27 27 THR H H 27 8.716 8.716 8.731 -0.015 26047 635 1 2 . 1 1 28 28 GLY N N 28 115.590 115.590 113.990 1.600 26047 636 1 2 . 1 1 28 28 GLY C C 28 171.083 171.083 171.580 -0.497 26047 637 1 2 . 1 1 28 28 GLY CA C 28 45.419 45.419 43.320 2.099 26047 638 1 2 . 1 1 28 28 GLY H H 28 9.316 9.316 8.536 0.780 26047 639 1 2 . 1 1 29 29 MET N N 29 125.723 125.723 124.273 1.450 26047 640 1 2 . 1 1 29 29 MET HA H 29 5.251 5.251 4.573 0.678 26047 641 1 2 . 1 1 29 29 MET C C 29 175.508 175.508 175.531 -0.023 26047 642 1 2 . 1 1 29 29 MET CA C 29 54.221 54.221 54.252 -0.031 26047 643 1 2 . 1 1 29 29 MET CB C 29 37.913 37.913 36.850 1.063 26047 644 1 2 . 1 1 29 29 MET H H 29 9.192 9.192 8.762 0.430 26047 645 1 2 . 1 1 30 30 LEU N N 30 119.150 119.150 123.547 -4.397 26047 646 1 2 . 1 1 30 30 LEU HA H 30 4.772 4.772 4.222 0.550 26047 647 1 2 . 1 1 30 30 LEU C C 30 179.278 179.278 178.769 0.509 26047 648 1 2 . 1 1 30 30 LEU CA C 30 54.169 54.169 55.971 -1.802 26047 649 1 2 . 1 1 30 30 LEU CB C 30 41.634 41.634 42.628 -0.994 26047 650 1 2 . 1 1 30 30 LEU H H 30 8.433 8.433 8.795 -0.362 26047 651 1 2 . 1 1 31 31 GLU N N 31 120.636 120.636 120.957 -0.321 26047 652 1 2 . 1 1 31 31 GLU HA H 31 3.816 3.816 4.007 -0.191 26047 653 1 2 . 1 1 31 31 GLU C C 31 176.568 176.568 177.433 -0.865 26047 654 1 2 . 1 1 31 31 GLU CA C 31 59.788 59.788 59.233 0.555 26047 655 1 2 . 1 1 31 31 GLU CB C 31 29.883 29.883 29.700 0.183 26047 656 1 2 . 1 1 31 31 GLU H H 31 9.110 9.110 8.993 0.117 26047 657 1 2 . 1 1 32 32 ASP N N 32 115.429 115.429 115.230 0.199 26047 658 1 2 . 1 1 32 32 ASP HA H 32 4.420 4.420 4.696 -0.276 26047 659 1 2 . 1 1 32 32 ASP C C 32 177.209 177.209 176.267 0.942 26047 660 1 2 . 1 1 32 32 ASP CA C 32 53.556 53.556 54.423 -0.867 26047 661 1 2 . 1 1 32 32 ASP CB C 32 40.030 40.030 41.527 -1.497 26047 662 1 2 . 1 1 32 32 ASP H H 32 7.826 7.826 8.310 -0.484 26047 663 1 2 . 1 1 37 37 ASP N N 37 118.871 118.871 121.947 -3.076 26047 664 1 2 . 1 1 37 37 ASP HA H 37 4.827 4.827 4.655 0.172 26047 665 1 2 . 1 1 37 37 ASP C C 37 174.807 174.807 173.907 0.900 26047 666 1 2 . 1 1 37 37 ASP CA C 37 54.739 54.739 55.263 -0.524 26047 667 1 2 . 1 1 37 37 ASP CB C 37 44.386 44.386 43.508 0.878 26047 668 1 2 . 1 1 37 37 ASP H H 37 6.765 6.765 7.712 -0.947 26047 669 1 2 . 1 1 38 38 SER N N 38 118.532 118.532 118.527 0.005 26047 670 1 2 . 1 1 38 38 SER HA H 38 4.581 4.581 4.610 -0.029 26047 671 1 2 . 1 1 38 38 SER C C 38 174.967 174.967 174.262 0.705 26047 672 1 2 . 1 1 38 38 SER CA C 38 57.033 57.033 56.589 0.444 26047 673 1 2 . 1 1 38 38 SER CB C 38 64.862 64.862 65.389 -0.527 26047 674 1 2 . 1 1 38 38 SER H H 38 8.196 8.196 8.389 -0.193 26047 675 1 2 . 1 1 39 39 SER N N 39 124.920 124.920 120.144 4.776 26047 676 1 2 . 1 1 39 39 SER HA H 39 4.131 4.131 4.326 -0.195 26047 677 1 2 . 1 1 39 39 SER C C 39 177.101 177.101 176.557 0.544 26047 678 1 2 . 1 1 39 39 SER CA C 39 61.690 61.690 60.497 1.193 26047 679 1 2 . 1 1 39 39 SER CB C 39 61.632 61.632 63.184 -1.552 26047 680 1 2 . 1 1 39 39 SER H H 39 7.872 7.872 7.983 -0.111 26047 681 1 2 . 1 1 40 40 ARG N N 40 124.309 124.309 119.602 4.707 26047 682 1 2 . 1 1 40 40 ARG HA H 40 3.607 3.607 4.321 -0.714 26047 683 1 2 . 1 1 40 40 ARG C C 40 179.844 179.844 178.469 1.375 26047 684 1 2 . 1 1 40 40 ARG CA C 40 58.859 58.859 58.345 0.514 26047 685 1 2 . 1 1 40 40 ARG CB C 40 28.763 28.763 29.307 -0.544 26047 686 1 2 . 1 1 40 40 ARG H H 40 7.617 7.617 7.677 -0.060 26047 687 1 2 . 1 1 41 41 ASP N N 41 118.394 118.394 120.769 -2.375 26047 688 1 2 . 1 1 41 41 ASP HA H 41 4.314 4.314 4.435 -0.121 26047 689 1 2 . 1 1 41 41 ASP C C 41 176.750 176.750 177.008 -0.258 26047 690 1 2 . 1 1 41 41 ASP CA C 41 56.536 56.536 56.598 -0.062 26047 691 1 2 . 1 1 41 41 ASP CB C 41 40.095 40.095 40.780 -0.685 26047 692 1 2 . 1 1 41 41 ASP H H 41 7.079 7.079 8.010 -0.931 26047 693 1 2 . 1 1 42 42 ARG N N 42 115.037 115.037 116.468 -1.431 26047 694 1 2 . 1 1 42 42 ARG HA H 42 4.431 4.431 4.373 0.058 26047 695 1 2 . 1 1 42 42 ARG C C 42 175.430 175.430 175.596 -0.166 26047 696 1 2 . 1 1 42 42 ARG CA C 42 56.099 56.099 55.698 0.401 26047 697 1 2 . 1 1 42 42 ARG CB C 42 31.577 31.577 30.723 0.854 26047 698 1 2 . 1 1 42 42 ARG H H 42 6.859 6.859 7.641 -0.782 26047 699 1 2 . 1 1 49 49 MET N N 49 123.105 123.105 120.387 2.718 26047 700 1 2 . 1 1 49 49 MET HA H 49 4.681 4.681 4.986 -0.305 26047 701 1 2 . 1 1 49 49 MET C C 49 176.492 176.492 175.032 1.460 26047 702 1 2 . 1 1 49 49 MET CA C 49 54.487 54.487 54.573 -0.086 26047 703 1 2 . 1 1 49 49 MET CB C 49 33.755 33.755 35.420 -1.665 26047 704 1 2 . 1 1 49 49 MET H H 49 9.261 9.261 8.648 0.613 26047 705 1 2 . 1 1 50 50 LEU N N 50 131.689 131.689 123.483 8.206 26047 706 1 2 . 1 1 50 50 LEU HA H 50 4.210 4.210 4.732 -0.522 26047 707 1 2 . 1 1 50 50 LEU C C 50 177.825 177.825 178.061 -0.236 26047 708 1 2 . 1 1 50 50 LEU CA C 50 57.249 57.249 54.245 3.004 26047 709 1 2 . 1 1 50 50 LEU CB C 50 41.752 41.752 41.525 0.227 26047 710 1 2 . 1 1 50 50 LEU H H 50 8.633 8.633 7.759 0.874 26047 711 1 2 . 1 1 54 54 GLU N N 54 117.417 117.417 119.791 -2.374 26047 712 1 2 . 1 1 54 54 GLU HA H 54 4.220 4.220 4.288 -0.068 26047 713 1 2 . 1 1 54 54 GLU C C 54 176.221 176.221 175.914 0.307 26047 714 1 2 . 1 1 54 54 GLU CA C 54 57.447 57.447 57.716 -0.269 26047 715 1 2 . 1 1 54 54 GLU CB C 54 31.200 31.200 30.432 0.768 26047 716 1 2 . 1 1 54 54 GLU H H 54 9.389 9.389 8.811 0.578 26047 717 1 2 . 1 1 55 55 VAL N N 55 108.426 108.426 113.668 -5.242 26047 718 1 2 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.253 0.061 26047 719 1 2 . 1 1 55 55 VAL C C 55 175.226 175.226 174.785 0.441 26047 720 1 2 . 1 1 55 55 VAL CA C 55 57.461 57.461 59.657 -2.196 26047 721 1 2 . 1 1 55 55 VAL CB C 55 35.557 35.557 34.122 1.435 26047 722 1 2 . 1 1 55 55 VAL H H 55 6.820 6.820 7.325 -0.505 26047 723 1 2 . 1 1 56 56 ILE N N 56 111.618 111.618 113.946 -2.328 26047 724 1 2 . 1 1 56 56 ILE HA H 56 3.853 3.853 4.054 -0.201 26047 725 1 2 . 1 1 56 56 ILE C C 56 177.344 177.344 176.341 1.003 26047 726 1 2 . 1 1 56 56 ILE CA C 56 61.975 61.975 60.571 1.404 26047 727 1 2 . 1 1 56 56 ILE CB C 56 38.342 38.342 38.251 0.091 26047 728 1 2 . 1 1 56 56 ILE H H 56 7.404 7.404 7.491 -0.087 26047 729 1 2 . 1 1 57 57 ARG N N 57 124.436 124.436 123.412 1.024 26047 730 1 2 . 1 1 57 57 ARG HA H 57 4.063 4.063 4.041 0.022 26047 731 1 2 . 1 1 57 57 ARG C C 57 179.428 179.428 178.577 0.851 26047 732 1 2 . 1 1 57 57 ARG CA C 57 59.838 59.838 59.593 0.245 26047 733 1 2 . 1 1 57 57 ARG CB C 57 30.630 30.630 30.251 0.379 26047 734 1 2 . 1 1 57 57 ARG H H 57 8.631 8.631 8.365 0.266 26047 735 1 2 . 1 1 58 58 GLY N N 58 107.151 107.151 105.108 2.043 26047 736 1 2 . 1 1 58 58 GLY C C 58 175.210 175.210 175.434 -0.224 26047 737 1 2 . 1 1 58 58 GLY CA C 58 47.621 47.621 46.705 0.916 26047 738 1 2 . 1 1 58 58 GLY H H 58 9.688 9.688 7.985 1.703 26047 739 1 2 . 1 1 59 59 TRP N N 59 119.956 119.956 121.396 -1.440 26047 740 1 2 . 1 1 59 59 TRP HA H 59 4.227 4.227 4.532 -0.305 26047 741 1 2 . 1 1 59 59 TRP C C 59 177.529 177.529 178.617 -1.088 26047 742 1 2 . 1 1 59 59 TRP CA C 59 59.681 59.681 58.518 1.163 26047 743 1 2 . 1 1 59 59 TRP CB C 59 29.092 29.092 29.372 -0.280 26047 744 1 2 . 1 1 59 59 TRP H H 59 7.534 7.534 7.436 0.098 26047 745 1 2 . 1 1 60 60 GLU N N 60 118.374 118.374 118.917 -0.543 26047 746 1 2 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.192 -0.302 26047 747 1 2 . 1 1 60 60 GLU C C 60 178.377 178.377 179.333 -0.956 26047 748 1 2 . 1 1 60 60 GLU CA C 60 61.081 61.081 59.970 1.111 26047 749 1 2 . 1 1 60 60 GLU CB C 60 29.417 29.417 29.512 -0.095 26047 750 1 2 . 1 1 60 60 GLU H H 60 7.275 7.275 8.012 -0.737 26047 751 1 2 . 1 1 61 61 GLU N N 61 113.896 113.896 117.806 -3.910 26047 752 1 2 . 1 1 61 61 GLU HA H 61 4.149 4.149 4.338 -0.189 26047 753 1 2 . 1 1 61 61 GLU C C 61 179.320 179.320 178.301 1.019 26047 754 1 2 . 1 1 61 61 GLU CA C 61 58.633 58.633 57.746 0.887 26047 755 1 2 . 1 1 61 61 GLU CB C 61 29.872 29.872 29.879 -0.007 26047 756 1 2 . 1 1 61 61 GLU H H 61 8.390 8.390 8.208 0.182 26047 757 1 2 . 1 1 62 62 GLY N N 62 106.899 106.899 108.220 -1.321 26047 758 1 2 . 1 1 62 62 GLY C C 62 174.585 174.585 176.084 -1.499 26047 759 1 2 . 1 1 62 62 GLY CA C 62 47.194 47.194 46.294 0.901 26047 760 1 2 . 1 1 62 62 GLY H H 62 7.932 7.932 7.722 0.210 26047 761 1 2 . 1 1 63 63 VAL N N 63 120.730 120.730 122.539 -1.809 26047 762 1 2 . 1 1 63 63 VAL HA H 63 3.927 3.927 3.868 0.059 26047 763 1 2 . 1 1 63 63 VAL C C 63 177.334 177.334 177.301 0.033 26047 764 1 2 . 1 1 63 63 VAL CA C 63 65.419 65.419 65.367 0.052 26047 765 1 2 . 1 1 63 63 VAL CB C 63 31.126 31.126 31.610 -0.484 26047 766 1 2 . 1 1 63 63 VAL H H 63 8.688 8.688 8.654 0.034 26047 767 1 2 . 1 1 64 64 ALA N N 64 117.132 117.132 120.285 -3.153 26047 768 1 2 . 1 1 64 64 ALA HA H 64 4.014 4.014 4.305 -0.291 26047 769 1 2 . 1 1 64 64 ALA C C 64 177.759 177.759 178.113 -0.354 26047 770 1 2 . 1 1 64 64 ALA CA C 64 54.526 54.526 53.712 0.814 26047 771 1 2 . 1 1 64 64 ALA CB C 64 18.715 18.715 18.620 0.095 26047 772 1 2 . 1 1 64 64 ALA H H 64 7.160 7.160 8.167 -1.007 26047 773 1 2 . 1 1 65 65 GLN N N 65 112.231 112.231 116.343 -4.112 26047 774 1 2 . 1 1 65 65 GLN HA H 65 4.359 4.359 4.399 -0.040 26047 775 1 2 . 1 1 65 65 GLN C C 65 175.568 175.568 175.745 -0.177 26047 776 1 2 . 1 1 65 65 GLN CA C 65 55.459 55.459 55.906 -0.446 26047 777 1 2 . 1 1 65 65 GLN CB C 65 30.028 30.028 29.499 0.529 26047 778 1 2 . 1 1 65 65 GLN H H 65 7.143 7.143 7.828 -0.685 26047 779 1 2 . 1 1 66 66 MET N N 66 122.412 122.412 118.068 4.344 26047 780 1 2 . 1 1 66 66 MET HA H 66 4.788 4.788 4.803 -0.015 26047 781 1 2 . 1 1 66 66 MET C C 66 172.467 172.467 174.584 -2.117 26047 782 1 2 . 1 1 66 66 MET CA C 66 55.118 55.118 54.068 1.050 26047 783 1 2 . 1 1 66 66 MET CB C 66 35.667 35.667 35.688 -0.021 26047 784 1 2 . 1 1 66 66 MET H H 66 7.965 7.965 7.520 0.445 26047 785 1 2 . 1 1 67 67 SER N N 67 107.611 107.611 114.066 -6.455 26047 786 1 2 . 1 1 67 67 SER HA H 67 4.833 4.833 4.543 0.290 26047 787 1 2 . 1 1 67 67 SER C C 67 176.275 176.275 174.902 1.373 26047 788 1 2 . 1 1 67 67 SER CA C 67 54.465 54.465 56.044 -1.579 26047 789 1 2 . 1 1 67 67 SER CB C 67 65.982 65.982 65.395 0.587 26047 790 1 2 . 1 1 67 67 SER H H 67 8.182 8.182 7.821 0.361 26047 791 1 2 . 1 1 68 68 VAL N N 68 119.266 119.266 122.113 -2.847 26047 792 1 2 . 1 1 68 68 VAL HA H 68 3.105 3.105 3.522 -0.417 26047 793 1 2 . 1 1 68 68 VAL C C 68 176.390 176.390 176.703 -0.313 26047 794 1 2 . 1 1 68 68 VAL CA C 68 67.074 67.074 65.311 1.763 26047 795 1 2 . 1 1 68 68 VAL CB C 68 31.503 31.503 29.883 1.620 26047 796 1 2 . 1 1 68 68 VAL H H 68 7.650 7.650 8.540 -0.890 26047 797 1 2 . 1 1 69 69 GLY N N 69 116.900 116.900 114.521 2.379 26047 798 1 2 . 1 1 69 69 GLY C C 69 173.934 173.934 173.737 0.197 26047 799 1 2 . 1 1 69 69 GLY CA C 69 44.407 44.407 44.884 -0.477 26047 800 1 2 . 1 1 69 69 GLY H H 69 8.855 8.855 8.805 0.050 26047 801 1 2 . 1 1 70 70 GLN N N 70 123.210 123.210 120.623 2.587 26047 802 1 2 . 1 1 70 70 GLN HA H 70 4.035 4.035 4.780 -0.745 26047 803 1 2 . 1 1 70 70 GLN C C 70 173.663 173.663 174.369 -0.706 26047 804 1 2 . 1 1 70 70 GLN CA C 70 55.788 55.788 54.728 1.060 26047 805 1 2 . 1 1 70 70 GLN CB C 70 30.551 30.551 31.533 -0.982 26047 806 1 2 . 1 1 70 70 GLN H H 70 8.607 8.607 8.018 0.589 26047 807 1 2 . 1 1 71 71 ARG N N 71 124.586 124.586 125.358 -0.772 26047 808 1 2 . 1 1 71 71 ARG HA H 71 5.660 5.660 5.026 0.634 26047 809 1 2 . 1 1 71 71 ARG C C 71 175.582 175.582 173.969 1.613 26047 810 1 2 . 1 1 71 71 ARG CA C 71 53.936 53.936 54.685 -0.749 26047 811 1 2 . 1 1 71 71 ARG CB C 71 33.739 33.739 32.761 0.978 26047 812 1 2 . 1 1 71 71 ARG H H 71 8.802 8.802 8.662 0.140 26047 813 1 2 . 1 1 75 75 THR N N 75 121.856 121.856 120.698 1.158 26047 814 1 2 . 1 1 75 75 THR HA H 75 5.052 5.052 4.778 0.274 26047 815 1 2 . 1 1 75 75 THR C C 75 175.079 175.079 173.444 1.635 26047 816 1 2 . 1 1 75 75 THR CA C 75 63.355 63.355 62.381 0.974 26047 817 1 2 . 1 1 75 75 THR CB C 75 68.790 68.790 69.531 -0.741 26047 818 1 2 . 1 1 75 75 THR H H 75 8.884 8.884 8.549 0.335 26047 819 1 2 . 1 1 76 76 ILE N N 76 129.859 129.859 128.538 1.321 26047 820 1 2 . 1 1 76 76 ILE HA H 76 4.680 4.680 4.621 0.059 26047 821 1 2 . 1 1 76 76 ILE C C 76 173.943 173.943 175.421 -1.478 26047 822 1 2 . 1 1 76 76 ILE CA C 76 60.898 60.898 58.581 2.317 26047 823 1 2 . 1 1 76 76 ILE CB C 76 41.236 41.236 38.570 2.666 26047 824 1 2 . 1 1 76 76 ILE H H 76 9.864 9.864 8.748 1.116 26047 825 1 2 . 1 1 77 77 SER N N 77 123.243 123.243 121.846 1.397 26047 826 1 2 . 1 1 77 77 SER HA H 77 4.732 4.732 5.107 -0.375 26047 827 1 2 . 1 1 77 77 SER C C 77 173.647 173.647 174.305 -0.658 26047 828 1 2 . 1 1 77 77 SER CA C 77 57.726 57.726 55.531 2.195 26047 829 1 2 . 1 1 77 77 SER CB C 77 62.763 62.763 63.355 -0.592 26047 830 1 2 . 1 1 77 77 SER H H 77 8.612 8.612 8.339 0.273 26047 831 1 2 . 1 1 78 78 PRO HA H 78 4.488 4.488 4.394 0.094 26047 832 1 2 . 1 1 78 78 PRO C C 78 180.133 180.133 177.188 2.945 26047 833 1 2 . 1 1 78 78 PRO CA C 78 65.828 65.828 65.134 0.694 26047 834 1 2 . 1 1 78 78 PRO CB C 78 30.995 30.995 32.066 -1.071 26047 835 1 2 . 1 1 79 79 ASP N N 79 115.934 115.934 115.700 0.234 26047 836 1 2 . 1 1 79 79 ASP HA H 79 4.390 4.390 4.574 -0.184 26047 837 1 2 . 1 1 79 79 ASP C C 79 176.810 176.810 176.979 -0.169 26047 838 1 2 . 1 1 79 79 ASP CA C 79 56.159 56.159 55.740 0.419 26047 839 1 2 . 1 1 79 79 ASP CB C 79 39.361 39.361 40.984 -1.623 26047 840 1 2 . 1 1 79 79 ASP H H 79 8.799 8.799 8.675 0.124 26047 841 1 2 . 1 1 80 80 TYR N N 80 120.969 120.969 118.621 2.348 26047 842 1 2 . 1 1 80 80 TYR HA H 80 4.377 4.377 4.345 0.032 26047 843 1 2 . 1 1 80 80 TYR C C 80 173.332 173.332 176.014 -2.682 26047 844 1 2 . 1 1 80 80 TYR CA C 80 57.597 57.597 59.766 -2.169 26047 845 1 2 . 1 1 80 80 TYR CB C 80 38.903 38.903 39.844 -0.941 26047 846 1 2 . 1 1 80 80 TYR H H 80 8.116 8.116 7.649 0.467 26047 847 1 2 . 1 1 81 81 ALA N N 81 125.669 125.669 121.728 3.941 26047 848 1 2 . 1 1 81 81 ALA HA H 81 4.421 4.421 3.963 0.458 26047 849 1 2 . 1 1 81 81 ALA C C 81 175.888 175.888 177.429 -1.541 26047 850 1 2 . 1 1 81 81 ALA CA C 81 51.701 51.701 54.476 -2.775 26047 851 1 2 . 1 1 81 81 ALA CB C 81 19.334 19.334 19.142 0.192 26047 852 1 2 . 1 1 81 81 ALA H H 81 7.801 7.801 8.308 -0.507 26047 853 1 2 . 1 1 82 82 TYR N N 82 122.080 122.080 115.006 7.074 26047 854 1 2 . 1 1 82 82 TYR HA H 82 4.566 4.566 4.596 -0.030 26047 855 1 2 . 1 1 82 82 TYR C C 82 176.653 176.653 176.551 0.102 26047 856 1 2 . 1 1 82 82 TYR CA C 82 58.865 58.865 58.476 0.389 26047 857 1 2 . 1 1 82 82 TYR CB C 82 37.995 37.995 41.653 -3.658 26047 858 1 2 . 1 1 82 82 TYR H H 82 9.321 9.321 7.621 1.700 26047 859 1 2 . 1 1 83 83 GLY N N 83 108.394 108.394 106.515 1.879 26047 860 1 2 . 1 1 83 83 GLY C C 83 175.214 175.214 172.801 2.413 26047 861 1 2 . 1 1 83 83 GLY CA C 83 46.827 46.827 45.325 1.502 26047 862 1 2 . 1 1 83 83 GLY H H 83 8.535 8.535 7.884 0.651 26047 863 1 2 . 1 1 84 84 ALA HA H 84 3.273 3.273 4.386 -1.113 26047 864 1 2 . 1 1 84 84 ALA C C 84 177.536 177.536 177.831 -0.295 26047 865 1 2 . 1 1 84 84 ALA CA C 84 53.514 53.514 53.639 -0.125 26047 866 1 2 . 1 1 84 84 ALA CB C 84 19.318 19.318 18.848 0.470 26047 867 1 2 . 1 1 85 85 THR N N 85 109.341 109.341 113.330 -3.989 26047 868 1 2 . 1 1 85 85 THR HA H 85 4.038 4.038 4.240 -0.202 26047 869 1 2 . 1 1 85 85 THR C C 85 177.149 177.149 175.422 1.727 26047 870 1 2 . 1 1 85 85 THR CA C 85 64.040 64.040 62.526 1.514 26047 871 1 2 . 1 1 85 85 THR CB C 85 69.466 69.466 69.604 -0.138 26047 872 1 2 . 1 1 85 85 THR H H 85 7.927 7.927 7.985 -0.058 26047 873 1 2 . 1 1 86 86 GLY N N 86 106.961 106.961 109.176 -2.215 26047 874 1 2 . 1 1 86 86 GLY C C 86 171.567 171.567 172.996 -1.429 26047 875 1 2 . 1 1 86 86 GLY CA C 86 45.151 45.151 44.576 0.575 26047 876 1 2 . 1 1 86 86 GLY H H 86 7.341 7.341 7.705 -0.364 26047 877 1 2 . 1 1 87 87 HIS N N 87 121.870 121.870 120.252 1.618 26047 878 1 2 . 1 1 87 87 HIS HA H 87 4.967 4.967 4.662 0.305 26047 879 1 2 . 1 1 87 87 HIS C C 87 172.750 172.750 173.679 -0.929 26047 880 1 2 . 1 1 87 87 HIS CA C 87 53.029 53.029 52.656 0.373 26047 881 1 2 . 1 1 87 87 HIS CB C 87 32.349 32.349 30.628 1.721 26047 882 1 2 . 1 1 87 87 HIS H H 87 8.799 8.799 8.019 0.780 26047 883 1 2 . 1 1 88 88 PRO HA H 88 4.132 4.132 4.308 -0.176 26047 884 1 2 . 1 1 88 88 PRO C C 88 176.585 176.585 177.465 -0.880 26047 885 1 2 . 1 1 88 88 PRO CA C 88 65.123 65.123 63.672 1.451 26047 886 1 2 . 1 1 88 88 PRO CB C 88 31.851 31.851 31.754 0.097 26047 887 1 2 . 1 1 89 89 GLY N N 89 113.445 113.445 113.091 0.354 26047 888 1 2 . 1 1 89 89 GLY C C 89 174.030 174.030 174.685 -0.655 26047 889 1 2 . 1 1 89 89 GLY CA C 89 45.251 45.251 45.155 0.096 26047 890 1 2 . 1 1 89 89 GLY H H 89 8.571 8.571 8.716 -0.145 26047 891 1 2 . 1 1 90 90 ILE N N 90 118.128 118.128 120.961 -2.833 26047 892 1 2 . 1 1 90 90 ILE HA H 90 4.252 4.252 4.221 0.031 26047 893 1 2 . 1 1 90 90 ILE C C 90 174.403 174.403 175.905 -1.502 26047 894 1 2 . 1 1 90 90 ILE CA C 90 62.855 62.855 62.519 0.336 26047 895 1 2 . 1 1 90 90 ILE CB C 90 41.565 41.565 39.098 2.467 26047 896 1 2 . 1 1 90 90 ILE H H 90 8.103 8.103 7.565 0.538 26047 897 1 2 . 1 1 91 91 ILE N N 91 119.444 119.444 120.137 -0.693 26047 898 1 2 . 1 1 91 91 ILE HA H 91 4.506 4.506 4.291 0.215 26047 899 1 2 . 1 1 91 91 ILE C C 91 174.345 174.345 173.930 0.415 26047 900 1 2 . 1 1 91 91 ILE CA C 91 56.335 56.335 57.036 -0.701 26047 901 1 2 . 1 1 91 91 ILE CB C 91 40.719 40.719 36.563 4.156 26047 902 1 2 . 1 1 91 91 ILE H H 91 8.241 8.241 7.574 0.667 26047 903 1 2 . 1 1 92 92 PRO HA H 92 4.717 4.717 4.655 0.062 26047 904 1 2 . 1 1 92 92 PRO CB C 92 31.011 31.011 31.287 -0.276 26047 905 1 2 . 1 1 93 93 PRO HA H 93 3.617 3.617 4.306 -0.689 26047 906 1 2 . 1 1 93 93 PRO C C 93 175.714 175.714 176.988 -1.274 26047 907 1 2 . 1 1 93 93 PRO CA C 93 63.618 63.618 63.084 0.534 26047 908 1 2 . 1 1 93 93 PRO CB C 93 33.171 33.171 32.390 0.781 26047 909 1 2 . 1 1 94 94 HIS N N 94 115.851 115.851 116.536 -0.685 26047 910 1 2 . 1 1 94 94 HIS HA H 94 3.804 3.804 4.155 -0.351 26047 911 1 2 . 1 1 94 94 HIS C C 94 173.821 173.821 173.768 0.053 26047 912 1 2 . 1 1 94 94 HIS CA C 94 57.145 57.145 57.560 -0.415 26047 913 1 2 . 1 1 94 94 HIS CB C 94 27.977 27.977 27.748 0.229 26047 914 1 2 . 1 1 94 94 HIS H H 94 7.934 7.934 8.519 -0.585 26047 915 1 2 . 1 1 95 95 ALA N N 95 122.072 122.072 121.060 1.012 26047 916 1 2 . 1 1 95 95 ALA HA H 95 4.459 4.459 4.644 -0.185 26047 917 1 2 . 1 1 95 95 ALA C C 95 177.246 177.246 175.611 1.635 26047 918 1 2 . 1 1 95 95 ALA CA C 95 52.728 52.728 50.866 1.862 26047 919 1 2 . 1 1 95 95 ALA CB C 95 20.567 20.567 21.592 -1.025 26047 920 1 2 . 1 1 95 95 ALA H H 95 7.706 7.706 7.706 0.000 26047 921 1 2 . 1 1 96 96 THR N N 96 122.875 122.875 119.281 3.594 26047 922 1 2 . 1 1 96 96 THR HA H 96 4.650 4.650 4.416 0.234 26047 923 1 2 . 1 1 96 96 THR C C 96 173.818 173.818 174.005 -0.187 26047 924 1 2 . 1 1 96 96 THR CA C 96 63.778 63.778 63.689 0.089 26047 925 1 2 . 1 1 96 96 THR CB C 96 69.588 69.588 69.649 -0.061 26047 926 1 2 . 1 1 96 96 THR H H 96 8.448 8.448 8.313 0.135 26047 927 1 2 . 1 1 97 97 LEU N N 97 124.809 124.809 124.988 -0.179 26047 928 1 2 . 1 1 97 97 LEU HA H 97 5.110 5.110 4.697 0.413 26047 929 1 2 . 1 1 97 97 LEU C C 97 175.041 175.041 175.391 -0.350 26047 930 1 2 . 1 1 97 97 LEU CA C 97 52.832 52.832 54.099 -1.267 26047 931 1 2 . 1 1 97 97 LEU CB C 97 46.391 46.391 45.188 1.203 26047 932 1 2 . 1 1 97 97 LEU H H 97 8.725 8.725 9.144 -0.419 26047 933 1 2 . 1 1 98 98 VAL N N 98 121.081 121.081 119.012 2.069 26047 934 1 2 . 1 1 98 98 VAL HA H 98 5.215 5.215 4.598 0.617 26047 935 1 2 . 1 1 98 98 VAL C C 98 175.150 175.150 174.466 0.684 26047 936 1 2 . 1 1 98 98 VAL CA C 98 60.662 60.662 61.564 -0.902 26047 937 1 2 . 1 1 98 98 VAL CB C 98 34.355 34.355 34.172 0.183 26047 938 1 2 . 1 1 98 98 VAL H H 98 8.692 8.692 8.527 0.165 26047 939 1 2 . 1 1 99 99 PHE N N 99 123.638 123.638 125.887 -2.249 26047 940 1 2 . 1 1 99 99 PHE HA H 99 5.754 5.754 5.656 0.098 26047 941 1 2 . 1 1 99 99 PHE C C 99 174.328 174.328 174.147 0.181 26047 942 1 2 . 1 1 99 99 PHE CA C 99 55.196 55.196 56.400 -1.204 26047 943 1 2 . 1 1 99 99 PHE CB C 99 43.396 43.396 43.906 -0.510 26047 944 1 2 . 1 1 99 99 PHE H H 99 9.724 9.724 9.362 0.362 26047 945 1 2 . 1 1 100 100 ASP N N 100 124.358 124.358 124.266 0.092 26047 946 1 2 . 1 1 100 100 ASP HA H 100 5.164 5.164 5.084 0.080 26047 947 1 2 . 1 1 100 100 ASP C C 100 176.946 176.946 175.518 1.428 26047 948 1 2 . 1 1 100 100 ASP CA C 100 52.778 52.778 53.241 -0.463 26047 949 1 2 . 1 1 100 100 ASP CB C 100 42.320 42.320 43.235 -0.915 26047 950 1 2 . 1 1 100 100 ASP H H 100 8.775 8.775 8.604 0.171 26047 951 1 2 . 1 1 101 101 VAL N N 101 126.428 126.428 120.333 6.095 26047 952 1 2 . 1 1 101 101 VAL HA H 101 5.057 5.057 5.416 -0.359 26047 953 1 2 . 1 1 101 101 VAL C C 101 172.620 172.620 174.018 -1.398 26047 954 1 2 . 1 1 101 101 VAL CA C 101 61.041 61.041 59.276 1.764 26047 955 1 2 . 1 1 101 101 VAL CB C 101 35.481 35.481 34.900 0.581 26047 956 1 2 . 1 1 101 101 VAL H H 101 9.513 9.513 7.718 1.795 26047 957 1 2 . 1 1 102 102 GLU N N 102 128.393 128.393 120.917 7.476 26047 958 1 2 . 1 1 102 102 GLU HA H 102 5.392 5.392 4.959 0.433 26047 959 1 2 . 1 1 102 102 GLU C C 102 175.174 175.174 175.295 -0.121 26047 960 1 2 . 1 1 102 102 GLU CA C 102 53.979 53.979 53.818 0.161 26047 961 1 2 . 1 1 102 102 GLU CB C 102 33.852 33.852 32.492 1.360 26047 962 1 2 . 1 1 102 102 GLU H H 102 9.285 9.285 8.141 1.144 26047 963 1 2 . 1 1 103 103 LEU N N 103 128.290 128.290 126.658 1.632 26047 964 1 2 . 1 1 103 103 LEU HA H 103 4.671 4.671 4.256 0.415 26047 965 1 2 . 1 1 103 103 LEU C C 103 174.266 174.266 175.928 -1.662 26047 966 1 2 . 1 1 103 103 LEU CA C 103 54.356 54.356 55.291 -0.935 26047 967 1 2 . 1 1 103 103 LEU CB C 103 41.465 41.465 41.879 -0.414 26047 968 1 2 . 1 1 103 103 LEU H H 103 8.613 8.613 8.688 -0.075 26047 969 1 3 . 1 1 -2 -2 PRO HA H -2 4.485 4.485 4.811 -0.326 26047 970 1 3 . 1 1 -2 -2 PRO C C -2 176.570 176.570 176.046 0.524 26047 971 1 3 . 1 1 -2 -2 PRO CA C -2 63.243 63.243 62.639 0.604 26047 972 1 3 . 1 1 -2 -2 PRO CB C -2 32.290 32.290 32.532 -0.242 26047 973 1 3 . 1 1 -1 -1 SER N N -1 116.659 116.659 116.568 0.091 26047 974 1 3 . 1 1 -1 -1 SER HA H -1 4.422 4.422 4.708 -0.286 26047 975 1 3 . 1 1 -1 -1 SER C C -1 174.384 174.384 174.001 0.383 26047 976 1 3 . 1 1 -1 -1 SER CA C -1 58.230 58.230 57.803 0.427 26047 977 1 3 . 1 1 -1 -1 SER CB C -1 63.838 63.838 65.019 -1.181 26047 978 1 3 . 1 1 -1 -1 SER H H -1 8.542 8.542 8.363 0.179 26047 979 1 3 . 1 1 0 0 MET N N 0 122.115 122.115 122.317 -0.202 26047 980 1 3 . 1 1 0 0 MET HA H 0 4.441 4.441 4.676 -0.235 26047 981 1 3 . 1 1 0 0 MET C C 0 176.182 176.182 176.928 -0.746 26047 982 1 3 . 1 1 0 0 MET CA C 0 55.346 55.346 54.905 0.441 26047 983 1 3 . 1 1 0 0 MET CB C 0 33.248 33.248 33.617 -0.369 26047 984 1 3 . 1 1 0 0 MET H H 0 8.356 8.356 8.448 -0.092 26047 985 1 3 . 1 1 1 1 GLY N N 1 110.724 110.724 109.134 1.590 26047 986 1 3 . 1 1 1 1 GLY C C 1 172.468 172.468 173.036 -0.568 26047 987 1 3 . 1 1 1 1 GLY CA C 1 45.585 45.585 44.873 0.712 26047 988 1 3 . 1 1 1 1 GLY H H 1 8.157 8.157 8.472 -0.315 26047 989 1 3 . 1 1 2 2 VAL N N 2 117.765 117.765 119.925 -2.160 26047 990 1 3 . 1 1 2 2 VAL HA H 2 4.889 4.889 5.054 -0.165 26047 991 1 3 . 1 1 2 2 VAL C C 2 173.396 173.396 174.445 -1.049 26047 992 1 3 . 1 1 2 2 VAL CA C 2 59.731 59.731 59.657 0.074 26047 993 1 3 . 1 1 2 2 VAL CB C 2 34.600 34.600 33.013 1.587 26047 994 1 3 . 1 1 2 2 VAL H H 2 7.471 7.471 7.098 0.373 26047 995 1 3 . 1 1 3 3 GLN N N 3 126.962 126.962 128.779 -1.817 26047 996 1 3 . 1 1 3 3 GLN HA H 3 4.686 4.686 4.689 -0.003 26047 997 1 3 . 1 1 3 3 GLN C C 3 174.658 174.658 174.357 0.301 26047 998 1 3 . 1 1 3 3 GLN CA C 3 54.379 54.379 54.733 -0.353 26047 999 1 3 . 1 1 3 3 GLN CB C 3 31.669 31.669 31.259 0.410 26047 1000 1 3 . 1 1 3 3 GLN H H 3 8.514 8.514 8.243 0.271 26047 1001 1 3 . 1 1 4 4 VAL N N 4 125.396 125.396 123.715 1.681 26047 1002 1 3 . 1 1 4 4 VAL HA H 4 4.520 4.520 4.375 0.145 26047 1003 1 3 . 1 1 4 4 VAL C C 4 175.411 175.411 174.809 0.602 26047 1004 1 3 . 1 1 4 4 VAL CA C 4 61.993 61.993 61.063 0.930 26047 1005 1 3 . 1 1 4 4 VAL CB C 4 33.355 33.355 33.582 -0.227 26047 1006 1 3 . 1 1 4 4 VAL H H 4 8.823 8.823 8.633 0.190 26047 1007 1 3 . 1 1 5 5 GLU N N 5 128.706 128.706 128.118 0.588 26047 1008 1 3 . 1 1 5 5 GLU HA H 5 4.782 4.782 4.648 0.134 26047 1009 1 3 . 1 1 5 5 GLU C C 5 175.830 175.830 175.263 0.567 26047 1010 1 3 . 1 1 5 5 GLU CA C 5 54.451 54.451 54.511 -0.060 26047 1011 1 3 . 1 1 5 5 GLU CB C 5 32.818 32.818 31.993 0.825 26047 1012 1 3 . 1 1 5 5 GLU H H 5 9.024 9.024 8.557 0.467 26047 1013 1 3 . 1 1 6 6 THR N N 6 124.408 124.408 119.775 4.633 26047 1014 1 3 . 1 1 6 6 THR HA H 6 3.898 3.898 4.239 -0.341 26047 1015 1 3 . 1 1 6 6 THR C C 6 173.675 173.675 174.161 -0.486 26047 1016 1 3 . 1 1 6 6 THR CA C 6 66.715 66.715 63.763 2.952 26047 1017 1 3 . 1 1 6 6 THR CB C 6 68.934 68.934 69.195 -0.261 26047 1018 1 3 . 1 1 6 6 THR H H 6 9.173 9.173 8.659 0.514 26047 1019 1 3 . 1 1 7 7 ILE N N 7 129.476 129.476 126.724 2.752 26047 1020 1 3 . 1 1 7 7 ILE HA H 7 4.071 4.071 4.334 -0.263 26047 1021 1 3 . 1 1 7 7 ILE C C 7 175.768 175.768 176.384 -0.616 26047 1022 1 3 . 1 1 7 7 ILE CA C 7 63.285 63.285 61.903 1.382 26047 1023 1 3 . 1 1 7 7 ILE CB C 7 39.659 39.659 39.410 0.249 26047 1024 1 3 . 1 1 7 7 ILE H H 7 9.329 9.329 9.065 0.264 26047 1025 1 3 . 1 1 8 8 SER N N 8 114.774 114.774 115.717 -0.943 26047 1026 1 3 . 1 1 8 8 SER HA H 8 4.987 4.987 4.969 0.018 26047 1027 1 3 . 1 1 8 8 SER C C 8 171.895 171.895 172.103 -0.208 26047 1028 1 3 . 1 1 8 8 SER CA C 8 55.577 55.577 54.747 0.830 26047 1029 1 3 . 1 1 8 8 SER CB C 8 64.384 64.384 64.582 -0.197 26047 1030 1 3 . 1 1 8 8 SER H H 8 8.300 8.300 8.034 0.266 26047 1031 1 3 . 1 1 9 9 PRO HA H 9 4.331 4.331 4.603 -0.272 26047 1032 1 3 . 1 1 9 9 PRO C C 9 177.628 177.628 176.694 0.934 26047 1033 1 3 . 1 1 9 9 PRO CA C 9 63.646 63.646 62.470 1.176 26047 1034 1 3 . 1 1 9 9 PRO CB C 9 32.910 32.910 32.542 0.368 26047 1035 1 3 . 1 1 10 10 GLY N N 10 107.910 107.910 112.397 -4.487 26047 1036 1 3 . 1 1 10 10 GLY C C 10 174.203 174.203 174.111 0.092 26047 1037 1 3 . 1 1 10 10 GLY CA C 10 44.176 44.176 45.065 -0.889 26047 1038 1 3 . 1 1 10 10 GLY H H 10 8.464 8.464 8.121 0.343 26047 1039 1 3 . 1 1 11 11 ASP N N 11 118.911 118.911 121.395 -2.484 26047 1040 1 3 . 1 1 11 11 ASP HA H 11 4.289 4.289 4.549 -0.260 26047 1041 1 3 . 1 1 11 11 ASP C C 11 178.317 178.317 177.355 0.962 26047 1042 1 3 . 1 1 11 11 ASP CA C 11 54.629 54.629 55.270 -0.641 26047 1043 1 3 . 1 1 11 11 ASP CB C 11 39.382 39.382 42.099 -2.717 26047 1044 1 3 . 1 1 11 11 ASP H H 11 8.049 8.049 8.057 -0.008 26047 1045 1 3 . 1 1 12 12 GLY N N 12 108.262 108.262 107.409 0.853 26047 1046 1 3 . 1 1 12 12 GLY C C 12 173.279 173.279 174.396 -1.117 26047 1047 1 3 . 1 1 12 12 GLY CA C 12 46.049 46.049 45.890 0.159 26047 1048 1 3 . 1 1 12 12 GLY H H 12 8.719 8.719 8.118 0.601 26047 1049 1 3 . 1 1 13 13 ARG N N 13 117.671 117.671 116.725 0.946 26047 1050 1 3 . 1 1 13 13 ARG HA H 13 4.709 4.709 4.647 0.062 26047 1051 1 3 . 1 1 13 13 ARG C C 13 175.038 175.038 175.039 -0.001 26047 1052 1 3 . 1 1 13 13 ARG CA C 13 56.794 56.794 55.653 1.141 26047 1053 1 3 . 1 1 13 13 ARG CB C 13 34.416 34.416 31.469 2.947 26047 1054 1 3 . 1 1 13 13 ARG H H 13 8.539 8.539 8.027 0.512 26047 1055 1 3 . 1 1 14 14 THR N N 14 125.323 125.323 118.428 6.895 26047 1056 1 3 . 1 1 14 14 THR HA H 14 4.205 4.205 4.586 -0.381 26047 1057 1 3 . 1 1 14 14 THR C C 14 172.353 172.353 172.933 -0.580 26047 1058 1 3 . 1 1 14 14 THR CA C 14 62.060 62.060 61.058 1.002 26047 1059 1 3 . 1 1 14 14 THR CB C 14 66.395 66.395 69.290 -2.895 26047 1060 1 3 . 1 1 14 14 THR H H 14 10.197 10.197 7.583 2.614 26047 1061 1 3 . 1 1 15 15 PHE N N 15 124.865 124.865 126.064 -1.199 26047 1062 1 3 . 1 1 15 15 PHE HA H 15 5.232 5.232 5.069 0.163 26047 1063 1 3 . 1 1 15 15 PHE C C 15 174.388 174.388 174.758 -0.370 26047 1064 1 3 . 1 1 15 15 PHE CA C 15 54.495 54.495 55.120 -0.625 26047 1065 1 3 . 1 1 15 15 PHE CB C 15 39.883 39.883 39.445 0.438 26047 1066 1 3 . 1 1 15 15 PHE H H 15 8.086 8.086 8.736 -0.650 26047 1067 1 3 . 1 1 19 19 GLY N N 19 112.901 112.901 113.028 -0.127 26047 1068 1 3 . 1 1 19 19 GLY C C 19 174.204 174.204 173.492 0.712 26047 1069 1 3 . 1 1 19 19 GLY CA C 19 44.943 44.943 45.379 -0.436 26047 1070 1 3 . 1 1 19 19 GLY H H 19 8.682 8.682 8.521 0.161 26047 1071 1 3 . 1 1 20 20 GLN N N 20 118.698 118.698 119.895 -1.197 26047 1072 1 3 . 1 1 20 20 GLN HA H 20 4.497 4.497 4.736 -0.239 26047 1073 1 3 . 1 1 20 20 GLN C C 20 174.974 174.974 174.678 0.296 26047 1074 1 3 . 1 1 20 20 GLN CA C 20 56.335 56.335 53.294 3.041 26047 1075 1 3 . 1 1 20 20 GLN CB C 20 30.891 30.891 29.958 0.933 26047 1076 1 3 . 1 1 20 20 GLN H H 20 8.103 8.103 7.969 0.134 26047 1077 1 3 . 1 1 21 21 THR N N 21 119.715 119.715 116.463 3.252 26047 1078 1 3 . 1 1 21 21 THR HA H 21 4.457 4.457 4.842 -0.385 26047 1079 1 3 . 1 1 21 21 THR C C 21 173.797 173.797 174.411 -0.614 26047 1080 1 3 . 1 1 21 21 THR CA C 21 63.067 63.067 62.181 0.886 26047 1081 1 3 . 1 1 21 21 THR CB C 21 68.825 68.825 69.439 -0.614 26047 1082 1 3 . 1 1 21 21 THR H H 21 8.729 8.729 8.401 0.328 26047 1083 1 3 . 1 1 22 22 CYS N N 22 126.008 126.008 125.748 0.260 26047 1084 1 3 . 1 1 22 22 CYS HA H 22 4.269 4.269 4.633 -0.364 26047 1085 1 3 . 1 1 22 22 CYS C C 22 172.458 172.458 173.640 -1.182 26047 1086 1 3 . 1 1 22 22 CYS CA C 22 58.011 58.011 57.809 0.202 26047 1087 1 3 . 1 1 22 22 CYS CB C 22 28.794 28.794 28.921 -0.127 26047 1088 1 3 . 1 1 22 22 CYS H H 22 8.826 8.826 8.540 0.286 26047 1089 1 3 . 1 1 23 23 VAL N N 23 123.456 123.456 128.040 -4.584 26047 1090 1 3 . 1 1 23 23 VAL HA H 23 4.595 4.595 4.284 0.311 26047 1091 1 3 . 1 1 23 23 VAL C C 23 175.899 175.899 174.994 0.905 26047 1092 1 3 . 1 1 23 23 VAL CA C 23 61.411 61.411 62.676 -1.265 26047 1093 1 3 . 1 1 23 23 VAL CB C 23 31.277 31.277 31.309 -0.032 26047 1094 1 3 . 1 1 23 23 VAL H H 23 8.063 8.063 8.896 -0.833 26047 1095 1 3 . 1 1 24 24 VAL N N 24 118.126 118.126 119.643 -1.517 26047 1096 1 3 . 1 1 24 24 VAL HA H 24 5.852 5.852 5.073 0.779 26047 1097 1 3 . 1 1 24 24 VAL C C 24 175.589 175.589 174.431 1.158 26047 1098 1 3 . 1 1 24 24 VAL CA C 24 57.962 57.962 59.249 -1.287 26047 1099 1 3 . 1 1 24 24 VAL CB C 24 35.885 35.885 36.183 -0.298 26047 1100 1 3 . 1 1 24 24 VAL H H 24 9.620 9.620 8.771 0.849 26047 1101 1 3 . 1 1 25 25 HIS N N 25 118.824 118.824 122.591 -3.767 26047 1102 1 3 . 1 1 25 25 HIS HA H 25 5.865 5.865 5.334 0.531 26047 1103 1 3 . 1 1 25 25 HIS C C 25 176.663 176.663 175.015 1.648 26047 1104 1 3 . 1 1 25 25 HIS CA C 25 54.463 54.463 55.398 -0.935 26047 1105 1 3 . 1 1 25 25 HIS CB C 25 35.454 35.454 32.000 3.454 26047 1106 1 3 . 1 1 25 25 HIS H H 25 8.579 8.579 8.211 0.368 26047 1107 1 3 . 1 1 26 26 TYR N N 26 118.524 118.524 123.568 -5.044 26047 1108 1 3 . 1 1 26 26 TYR HA H 26 6.441 6.441 5.643 0.798 26047 1109 1 3 . 1 1 26 26 TYR C C 26 173.864 173.864 174.585 -0.721 26047 1110 1 3 . 1 1 26 26 TYR CA C 26 55.934 55.934 55.135 0.799 26047 1111 1 3 . 1 1 26 26 TYR CB C 26 44.380 44.380 41.017 3.363 26047 1112 1 3 . 1 1 26 26 TYR H H 26 9.937 9.937 9.266 0.671 26047 1113 1 3 . 1 1 27 27 THR N N 27 117.098 117.098 115.157 1.941 26047 1114 1 3 . 1 1 27 27 THR HA H 27 4.482 4.482 4.414 0.068 26047 1115 1 3 . 1 1 27 27 THR C C 27 172.648 172.648 173.642 -0.994 26047 1116 1 3 . 1 1 27 27 THR CA C 27 63.163 63.163 61.965 1.198 26047 1117 1 3 . 1 1 27 27 THR CB C 27 72.324 72.324 70.013 2.311 26047 1118 1 3 . 1 1 27 27 THR H H 27 8.716 8.716 8.716 -0.000 26047 1119 1 3 . 1 1 28 28 GLY N N 28 115.590 115.590 114.018 1.572 26047 1120 1 3 . 1 1 28 28 GLY C C 28 171.083 171.083 171.394 -0.311 26047 1121 1 3 . 1 1 28 28 GLY CA C 28 45.419 45.419 43.352 2.067 26047 1122 1 3 . 1 1 28 28 GLY H H 28 9.316 9.316 9.061 0.255 26047 1123 1 3 . 1 1 29 29 MET N N 29 125.723 125.723 124.012 1.711 26047 1124 1 3 . 1 1 29 29 MET HA H 29 5.251 5.251 4.480 0.771 26047 1125 1 3 . 1 1 29 29 MET C C 29 175.508 175.508 175.530 -0.022 26047 1126 1 3 . 1 1 29 29 MET CA C 29 54.221 54.221 54.242 -0.021 26047 1127 1 3 . 1 1 29 29 MET CB C 29 37.913 37.913 36.795 1.118 26047 1128 1 3 . 1 1 29 29 MET H H 29 9.192 9.192 8.734 0.458 26047 1129 1 3 . 1 1 30 30 LEU N N 30 119.150 119.150 123.683 -4.533 26047 1130 1 3 . 1 1 30 30 LEU HA H 30 4.772 4.772 4.226 0.546 26047 1131 1 3 . 1 1 30 30 LEU C C 30 179.278 179.278 178.806 0.472 26047 1132 1 3 . 1 1 30 30 LEU CA C 30 54.169 54.169 55.976 -1.807 26047 1133 1 3 . 1 1 30 30 LEU CB C 30 41.634 41.634 42.659 -1.025 26047 1134 1 3 . 1 1 30 30 LEU H H 30 8.433 8.433 8.788 -0.355 26047 1135 1 3 . 1 1 31 31 GLU N N 31 120.636 120.636 121.184 -0.548 26047 1136 1 3 . 1 1 31 31 GLU HA H 31 3.816 3.816 4.007 -0.191 26047 1137 1 3 . 1 1 31 31 GLU C C 31 176.568 176.568 177.370 -0.802 26047 1138 1 3 . 1 1 31 31 GLU CA C 31 59.788 59.788 59.228 0.560 26047 1139 1 3 . 1 1 31 31 GLU CB C 31 29.883 29.883 29.723 0.161 26047 1140 1 3 . 1 1 31 31 GLU H H 31 9.110 9.110 8.963 0.147 26047 1141 1 3 . 1 1 32 32 ASP N N 32 115.429 115.429 115.238 0.191 26047 1142 1 3 . 1 1 32 32 ASP HA H 32 4.420 4.420 4.698 -0.278 26047 1143 1 3 . 1 1 32 32 ASP C C 32 177.209 177.209 176.269 0.940 26047 1144 1 3 . 1 1 32 32 ASP CA C 32 53.556 53.556 54.391 -0.835 26047 1145 1 3 . 1 1 32 32 ASP CB C 32 40.030 40.030 41.562 -1.532 26047 1146 1 3 . 1 1 32 32 ASP H H 32 7.826 7.826 8.320 -0.494 26047 1147 1 3 . 1 1 37 37 ASP N N 37 118.871 118.871 121.311 -2.440 26047 1148 1 3 . 1 1 37 37 ASP HA H 37 4.827 4.827 4.652 0.175 26047 1149 1 3 . 1 1 37 37 ASP C C 37 174.807 174.807 173.868 0.939 26047 1150 1 3 . 1 1 37 37 ASP CA C 37 54.739 54.739 55.315 -0.576 26047 1151 1 3 . 1 1 37 37 ASP CB C 37 44.386 44.386 42.754 1.632 26047 1152 1 3 . 1 1 37 37 ASP H H 37 6.765 6.765 7.624 -0.859 26047 1153 1 3 . 1 1 38 38 SER N N 38 118.532 118.532 119.455 -0.923 26047 1154 1 3 . 1 1 38 38 SER HA H 38 4.581 4.581 4.868 -0.287 26047 1155 1 3 . 1 1 38 38 SER C C 38 174.967 174.967 175.184 -0.217 26047 1156 1 3 . 1 1 38 38 SER CA C 38 57.033 57.033 56.382 0.652 26047 1157 1 3 . 1 1 38 38 SER CB C 38 64.862 64.862 64.768 0.094 26047 1158 1 3 . 1 1 38 38 SER H H 38 8.196 8.196 8.371 -0.175 26047 1159 1 3 . 1 1 39 39 SER N N 39 124.920 124.920 123.813 1.107 26047 1160 1 3 . 1 1 39 39 SER HA H 39 4.131 4.131 4.427 -0.296 26047 1161 1 3 . 1 1 39 39 SER C C 39 177.101 177.101 176.142 0.959 26047 1162 1 3 . 1 1 39 39 SER CA C 39 61.690 61.690 60.187 1.503 26047 1163 1 3 . 1 1 39 39 SER CB C 39 61.632 61.632 63.569 -1.937 26047 1164 1 3 . 1 1 39 39 SER H H 39 7.872 7.872 8.082 -0.210 26047 1165 1 3 . 1 1 40 40 ARG N N 40 124.309 124.309 120.106 4.203 26047 1166 1 3 . 1 1 40 40 ARG HA H 40 3.607 3.607 4.085 -0.478 26047 1167 1 3 . 1 1 40 40 ARG C C 40 179.844 179.844 178.358 1.486 26047 1168 1 3 . 1 1 40 40 ARG CA C 40 58.859 58.859 58.020 0.839 26047 1169 1 3 . 1 1 40 40 ARG CB C 40 28.763 28.763 29.457 -0.694 26047 1170 1 3 . 1 1 40 40 ARG H H 40 7.617 7.617 7.852 -0.235 26047 1171 1 3 . 1 1 41 41 ASP N N 41 118.394 118.394 120.243 -1.849 26047 1172 1 3 . 1 1 41 41 ASP HA H 41 4.314 4.314 4.447 -0.133 26047 1173 1 3 . 1 1 41 41 ASP C C 41 176.750 176.750 177.017 -0.267 26047 1174 1 3 . 1 1 41 41 ASP CA C 41 56.536 56.536 56.314 0.222 26047 1175 1 3 . 1 1 41 41 ASP CB C 41 40.095 40.095 40.567 -0.472 26047 1176 1 3 . 1 1 41 41 ASP H H 41 7.079 7.079 7.795 -0.716 26047 1177 1 3 . 1 1 42 42 ARG N N 42 115.037 115.037 116.340 -1.303 26047 1178 1 3 . 1 1 42 42 ARG HA H 42 4.431 4.431 4.387 0.044 26047 1179 1 3 . 1 1 42 42 ARG C C 42 175.430 175.430 175.509 -0.079 26047 1180 1 3 . 1 1 42 42 ARG CA C 42 56.099 56.099 55.726 0.373 26047 1181 1 3 . 1 1 42 42 ARG CB C 42 31.577 31.577 30.272 1.305 26047 1182 1 3 . 1 1 42 42 ARG H H 42 6.859 6.859 8.016 -1.157 26047 1183 1 3 . 1 1 49 49 MET N N 49 123.105 123.105 120.184 2.921 26047 1184 1 3 . 1 1 49 49 MET HA H 49 4.681 4.681 5.014 -0.333 26047 1185 1 3 . 1 1 49 49 MET C C 49 176.492 176.492 175.177 1.315 26047 1186 1 3 . 1 1 49 49 MET CA C 49 54.487 54.487 54.353 0.134 26047 1187 1 3 . 1 1 49 49 MET CB C 49 33.755 33.755 34.157 -0.402 26047 1188 1 3 . 1 1 49 49 MET H H 49 9.261 9.261 8.454 0.807 26047 1189 1 3 . 1 1 50 50 LEU N N 50 131.689 131.689 123.927 7.762 26047 1190 1 3 . 1 1 50 50 LEU HA H 50 4.210 4.210 4.770 -0.560 26047 1191 1 3 . 1 1 50 50 LEU C C 50 177.825 177.825 178.115 -0.290 26047 1192 1 3 . 1 1 50 50 LEU CA C 50 57.249 57.249 54.182 3.067 26047 1193 1 3 . 1 1 50 50 LEU CB C 50 41.752 41.752 41.856 -0.104 26047 1194 1 3 . 1 1 50 50 LEU H H 50 8.633 8.633 7.894 0.739 26047 1195 1 3 . 1 1 54 54 GLU N N 54 117.417 117.417 119.116 -1.699 26047 1196 1 3 . 1 1 54 54 GLU HA H 54 4.220 4.220 4.291 -0.071 26047 1197 1 3 . 1 1 54 54 GLU C C 54 176.221 176.221 176.084 0.137 26047 1198 1 3 . 1 1 54 54 GLU CA C 54 57.447 57.447 58.071 -0.624 26047 1199 1 3 . 1 1 54 54 GLU CB C 54 31.200 31.200 30.520 0.680 26047 1200 1 3 . 1 1 54 54 GLU H H 54 9.389 9.389 8.922 0.467 26047 1201 1 3 . 1 1 55 55 VAL N N 55 108.426 108.426 113.799 -5.373 26047 1202 1 3 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.229 0.085 26047 1203 1 3 . 1 1 55 55 VAL C C 55 175.226 175.226 175.167 0.059 26047 1204 1 3 . 1 1 55 55 VAL CA C 55 57.461 57.461 59.850 -2.389 26047 1205 1 3 . 1 1 55 55 VAL CB C 55 35.557 35.557 33.449 2.108 26047 1206 1 3 . 1 1 55 55 VAL H H 55 6.820 6.820 7.273 -0.453 26047 1207 1 3 . 1 1 56 56 ILE N N 56 111.618 111.618 113.559 -1.941 26047 1208 1 3 . 1 1 56 56 ILE HA H 56 3.853 3.853 4.050 -0.197 26047 1209 1 3 . 1 1 56 56 ILE C C 56 177.344 177.344 176.173 1.171 26047 1210 1 3 . 1 1 56 56 ILE CA C 56 61.975 61.975 60.331 1.645 26047 1211 1 3 . 1 1 56 56 ILE CB C 56 38.342 38.342 38.148 0.195 26047 1212 1 3 . 1 1 56 56 ILE H H 56 7.404 7.404 7.346 0.058 26047 1213 1 3 . 1 1 57 57 ARG N N 57 124.436 124.436 123.425 1.011 26047 1214 1 3 . 1 1 57 57 ARG HA H 57 4.063 4.063 4.004 0.059 26047 1215 1 3 . 1 1 57 57 ARG C C 57 179.428 179.428 178.561 0.867 26047 1216 1 3 . 1 1 57 57 ARG CA C 57 59.838 59.838 59.731 0.107 26047 1217 1 3 . 1 1 57 57 ARG CB C 57 30.630 30.630 30.169 0.461 26047 1218 1 3 . 1 1 57 57 ARG H H 57 8.631 8.631 8.366 0.265 26047 1219 1 3 . 1 1 58 58 GLY N N 58 107.151 107.151 105.195 1.956 26047 1220 1 3 . 1 1 58 58 GLY C C 58 175.210 175.210 175.477 -0.267 26047 1221 1 3 . 1 1 58 58 GLY CA C 58 47.621 47.621 46.717 0.904 26047 1222 1 3 . 1 1 58 58 GLY H H 58 9.688 9.688 7.971 1.717 26047 1223 1 3 . 1 1 59 59 TRP N N 59 119.956 119.956 121.429 -1.473 26047 1224 1 3 . 1 1 59 59 TRP HA H 59 4.227 4.227 4.495 -0.268 26047 1225 1 3 . 1 1 59 59 TRP C C 59 177.529 177.529 178.677 -1.148 26047 1226 1 3 . 1 1 59 59 TRP CA C 59 59.681 59.681 58.730 0.951 26047 1227 1 3 . 1 1 59 59 TRP CB C 59 29.092 29.092 29.332 -0.241 26047 1228 1 3 . 1 1 59 59 TRP H H 59 7.534 7.534 7.480 0.054 26047 1229 1 3 . 1 1 60 60 GLU N N 60 118.374 118.374 119.005 -0.631 26047 1230 1 3 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.222 -0.332 26047 1231 1 3 . 1 1 60 60 GLU C C 60 178.377 178.377 179.355 -0.978 26047 1232 1 3 . 1 1 60 60 GLU CA C 60 61.081 61.081 59.941 1.140 26047 1233 1 3 . 1 1 60 60 GLU CB C 60 29.417 29.417 29.521 -0.104 26047 1234 1 3 . 1 1 60 60 GLU H H 60 7.275 7.275 7.981 -0.706 26047 1235 1 3 . 1 1 61 61 GLU N N 61 113.896 113.896 117.381 -3.485 26047 1236 1 3 . 1 1 61 61 GLU HA H 61 4.149 4.149 4.366 -0.217 26047 1237 1 3 . 1 1 61 61 GLU C C 61 179.320 179.320 178.216 1.104 26047 1238 1 3 . 1 1 61 61 GLU CA C 61 58.633 58.633 58.157 0.476 26047 1239 1 3 . 1 1 61 61 GLU CB C 61 29.872 29.872 29.709 0.163 26047 1240 1 3 . 1 1 61 61 GLU H H 61 8.390 8.390 8.254 0.136 26047 1241 1 3 . 1 1 62 62 GLY N N 62 106.899 106.899 108.127 -1.228 26047 1242 1 3 . 1 1 62 62 GLY C C 62 174.585 174.585 176.372 -1.787 26047 1243 1 3 . 1 1 62 62 GLY CA C 62 47.194 47.194 46.111 1.083 26047 1244 1 3 . 1 1 62 62 GLY H H 62 7.932 7.932 7.695 0.237 26047 1245 1 3 . 1 1 63 63 VAL N N 63 120.730 120.730 122.567 -1.837 26047 1246 1 3 . 1 1 63 63 VAL HA H 63 3.927 3.927 3.878 0.049 26047 1247 1 3 . 1 1 63 63 VAL C C 63 177.334 177.334 177.351 -0.017 26047 1248 1 3 . 1 1 63 63 VAL CA C 63 65.419 65.419 65.319 0.100 26047 1249 1 3 . 1 1 63 63 VAL CB C 63 31.126 31.126 31.603 -0.477 26047 1250 1 3 . 1 1 63 63 VAL H H 63 8.688 8.688 8.542 0.146 26047 1251 1 3 . 1 1 64 64 ALA N N 64 117.132 117.132 120.453 -3.321 26047 1252 1 3 . 1 1 64 64 ALA HA H 64 4.014 4.014 4.309 -0.295 26047 1253 1 3 . 1 1 64 64 ALA C C 64 177.759 177.759 178.154 -0.395 26047 1254 1 3 . 1 1 64 64 ALA CA C 64 54.526 54.526 53.774 0.752 26047 1255 1 3 . 1 1 64 64 ALA CB C 64 18.715 18.715 18.658 0.057 26047 1256 1 3 . 1 1 64 64 ALA H H 64 7.160 7.160 8.117 -0.957 26047 1257 1 3 . 1 1 65 65 GLN N N 65 112.231 112.231 116.240 -4.009 26047 1258 1 3 . 1 1 65 65 GLN HA H 65 4.359 4.359 4.375 -0.016 26047 1259 1 3 . 1 1 65 65 GLN C C 65 175.568 175.568 175.799 -0.231 26047 1260 1 3 . 1 1 65 65 GLN CA C 65 55.459 55.459 55.980 -0.520 26047 1261 1 3 . 1 1 65 65 GLN CB C 65 30.028 30.028 29.548 0.480 26047 1262 1 3 . 1 1 65 65 GLN H H 65 7.143 7.143 7.830 -0.687 26047 1263 1 3 . 1 1 66 66 MET N N 66 122.412 122.412 118.379 4.033 26047 1264 1 3 . 1 1 66 66 MET HA H 66 4.788 4.788 4.813 -0.025 26047 1265 1 3 . 1 1 66 66 MET C C 66 172.467 172.467 174.980 -2.513 26047 1266 1 3 . 1 1 66 66 MET CA C 66 55.118 55.118 54.198 0.920 26047 1267 1 3 . 1 1 66 66 MET CB C 66 35.667 35.667 35.061 0.606 26047 1268 1 3 . 1 1 66 66 MET H H 66 7.965 7.965 7.498 0.467 26047 1269 1 3 . 1 1 67 67 SER N N 67 107.611 107.611 114.119 -6.508 26047 1270 1 3 . 1 1 67 67 SER HA H 67 4.833 4.833 4.488 0.345 26047 1271 1 3 . 1 1 67 67 SER C C 67 176.275 176.275 174.332 1.943 26047 1272 1 3 . 1 1 67 67 SER CA C 67 54.465 54.465 55.793 -1.328 26047 1273 1 3 . 1 1 67 67 SER CB C 67 65.982 65.982 65.076 0.906 26047 1274 1 3 . 1 1 67 67 SER H H 67 8.182 8.182 8.170 0.012 26047 1275 1 3 . 1 1 68 68 VAL N N 68 119.266 119.266 121.057 -1.791 26047 1276 1 3 . 1 1 68 68 VAL HA H 68 3.105 3.105 3.526 -0.421 26047 1277 1 3 . 1 1 68 68 VAL C C 68 176.390 176.390 176.437 -0.047 26047 1278 1 3 . 1 1 68 68 VAL CA C 68 67.074 67.074 65.274 1.800 26047 1279 1 3 . 1 1 68 68 VAL CB C 68 31.503 31.503 31.164 0.339 26047 1280 1 3 . 1 1 68 68 VAL H H 68 7.650 7.650 8.254 -0.604 26047 1281 1 3 . 1 1 69 69 GLY N N 69 116.900 116.900 113.826 3.074 26047 1282 1 3 . 1 1 69 69 GLY C C 69 173.934 173.934 173.777 0.157 26047 1283 1 3 . 1 1 69 69 GLY CA C 69 44.407 44.407 44.853 -0.446 26047 1284 1 3 . 1 1 69 69 GLY H H 69 8.855 8.855 8.723 0.132 26047 1285 1 3 . 1 1 70 70 GLN N N 70 123.210 123.210 120.727 2.483 26047 1286 1 3 . 1 1 70 70 GLN HA H 70 4.035 4.035 4.753 -0.718 26047 1287 1 3 . 1 1 70 70 GLN C C 70 173.663 173.663 174.451 -0.788 26047 1288 1 3 . 1 1 70 70 GLN CA C 70 55.788 55.788 54.855 0.933 26047 1289 1 3 . 1 1 70 70 GLN CB C 70 30.551 30.551 31.343 -0.792 26047 1290 1 3 . 1 1 70 70 GLN H H 70 8.607 8.607 7.948 0.659 26047 1291 1 3 . 1 1 71 71 ARG N N 71 124.586 124.586 126.049 -1.463 26047 1292 1 3 . 1 1 71 71 ARG HA H 71 5.660 5.660 4.849 0.811 26047 1293 1 3 . 1 1 71 71 ARG C C 71 175.582 175.582 173.975 1.607 26047 1294 1 3 . 1 1 71 71 ARG CA C 71 53.936 53.936 54.699 -0.763 26047 1295 1 3 . 1 1 71 71 ARG CB C 71 33.739 33.739 32.619 1.120 26047 1296 1 3 . 1 1 71 71 ARG H H 71 8.802 8.802 8.696 0.106 26047 1297 1 3 . 1 1 75 75 THR N N 75 121.856 121.856 121.452 0.404 26047 1298 1 3 . 1 1 75 75 THR HA H 75 5.052 5.052 4.740 0.312 26047 1299 1 3 . 1 1 75 75 THR C C 75 175.079 175.079 173.480 1.599 26047 1300 1 3 . 1 1 75 75 THR CA C 75 63.355 63.355 62.621 0.734 26047 1301 1 3 . 1 1 75 75 THR CB C 75 68.790 68.790 69.454 -0.664 26047 1302 1 3 . 1 1 75 75 THR H H 75 8.884 8.884 8.822 0.062 26047 1303 1 3 . 1 1 76 76 ILE N N 76 129.859 129.859 128.159 1.700 26047 1304 1 3 . 1 1 76 76 ILE HA H 76 4.680 4.680 4.640 0.040 26047 1305 1 3 . 1 1 76 76 ILE C C 76 173.943 173.943 175.395 -1.452 26047 1306 1 3 . 1 1 76 76 ILE CA C 76 60.898 60.898 58.138 2.760 26047 1307 1 3 . 1 1 76 76 ILE CB C 76 41.236 41.236 39.726 1.510 26047 1308 1 3 . 1 1 76 76 ILE H H 76 9.864 9.864 8.453 1.411 26047 1309 1 3 . 1 1 77 77 SER N N 77 123.243 123.243 120.437 2.806 26047 1310 1 3 . 1 1 77 77 SER HA H 77 4.732 4.732 5.061 -0.329 26047 1311 1 3 . 1 1 77 77 SER C C 77 173.647 173.647 174.061 -0.414 26047 1312 1 3 . 1 1 77 77 SER CA C 77 57.726 57.726 55.516 2.210 26047 1313 1 3 . 1 1 77 77 SER CB C 77 62.763 62.763 63.560 -0.797 26047 1314 1 3 . 1 1 77 77 SER H H 77 8.612 8.612 8.650 -0.038 26047 1315 1 3 . 1 1 78 78 PRO HA H 78 4.488 4.488 4.654 -0.166 26047 1316 1 3 . 1 1 78 78 PRO C C 78 180.133 180.133 177.380 2.753 26047 1317 1 3 . 1 1 78 78 PRO CA C 78 65.828 65.828 64.875 0.953 26047 1318 1 3 . 1 1 78 78 PRO CB C 78 30.995 30.995 32.127 -1.132 26047 1319 1 3 . 1 1 79 79 ASP N N 79 115.934 115.934 115.579 0.355 26047 1320 1 3 . 1 1 79 79 ASP HA H 79 4.390 4.390 4.573 -0.183 26047 1321 1 3 . 1 1 79 79 ASP C C 79 176.810 176.810 176.409 0.401 26047 1322 1 3 . 1 1 79 79 ASP CA C 79 56.159 56.159 56.187 -0.028 26047 1323 1 3 . 1 1 79 79 ASP CB C 79 39.361 39.361 40.629 -1.268 26047 1324 1 3 . 1 1 79 79 ASP H H 79 8.799 8.799 8.563 0.236 26047 1325 1 3 . 1 1 80 80 TYR N N 80 120.969 120.969 116.925 4.044 26047 1326 1 3 . 1 1 80 80 TYR HA H 80 4.377 4.377 4.568 -0.191 26047 1327 1 3 . 1 1 80 80 TYR C C 80 173.332 173.332 173.983 -0.651 26047 1328 1 3 . 1 1 80 80 TYR CA C 80 57.597 57.597 58.546 -0.949 26047 1329 1 3 . 1 1 80 80 TYR CB C 80 38.903 38.903 41.630 -2.727 26047 1330 1 3 . 1 1 80 80 TYR H H 80 8.116 8.116 7.786 0.330 26047 1331 1 3 . 1 1 81 81 ALA N N 81 125.669 125.669 120.806 4.863 26047 1332 1 3 . 1 1 81 81 ALA HA H 81 4.421 4.421 4.281 0.140 26047 1333 1 3 . 1 1 81 81 ALA C C 81 175.888 175.888 176.891 -1.003 26047 1334 1 3 . 1 1 81 81 ALA CA C 81 51.701 51.701 51.258 0.443 26047 1335 1 3 . 1 1 81 81 ALA CB C 81 19.334 19.334 17.736 1.598 26047 1336 1 3 . 1 1 81 81 ALA H H 81 7.801 7.801 8.326 -0.525 26047 1337 1 3 . 1 1 82 82 TYR N N 82 122.080 122.080 121.193 0.887 26047 1338 1 3 . 1 1 82 82 TYR HA H 82 4.566 4.566 3.851 0.715 26047 1339 1 3 . 1 1 82 82 TYR C C 82 176.653 176.653 176.050 0.603 26047 1340 1 3 . 1 1 82 82 TYR CA C 82 58.865 58.865 59.764 -0.898 26047 1341 1 3 . 1 1 82 82 TYR CB C 82 37.995 37.995 37.098 0.897 26047 1342 1 3 . 1 1 82 82 TYR H H 82 9.321 9.321 8.407 0.914 26047 1343 1 3 . 1 1 83 83 GLY N N 83 108.394 108.394 105.967 2.427 26047 1344 1 3 . 1 1 83 83 GLY C C 83 175.214 175.214 173.154 2.060 26047 1345 1 3 . 1 1 83 83 GLY CA C 83 46.827 46.827 44.529 2.297 26047 1346 1 3 . 1 1 83 83 GLY H H 83 8.535 8.535 7.837 0.698 26047 1347 1 3 . 1 1 84 84 ALA HA H 84 3.273 3.273 4.219 -0.946 26047 1348 1 3 . 1 1 84 84 ALA C C 84 177.536 177.536 177.797 -0.261 26047 1349 1 3 . 1 1 84 84 ALA CA C 84 53.514 53.514 53.807 -0.293 26047 1350 1 3 . 1 1 84 84 ALA CB C 84 19.318 19.318 18.848 0.470 26047 1351 1 3 . 1 1 85 85 THR N N 85 109.341 109.341 113.591 -4.250 26047 1352 1 3 . 1 1 85 85 THR HA H 85 4.038 4.038 4.215 -0.177 26047 1353 1 3 . 1 1 85 85 THR C C 85 177.149 177.149 175.158 1.991 26047 1354 1 3 . 1 1 85 85 THR CA C 85 64.040 64.040 61.894 2.146 26047 1355 1 3 . 1 1 85 85 THR CB C 85 69.466 69.466 69.937 -0.471 26047 1356 1 3 . 1 1 85 85 THR H H 85 7.927 7.927 7.678 0.249 26047 1357 1 3 . 1 1 86 86 GLY N N 86 106.961 106.961 108.419 -1.458 26047 1358 1 3 . 1 1 86 86 GLY C C 86 171.567 171.567 173.267 -1.700 26047 1359 1 3 . 1 1 86 86 GLY CA C 86 45.151 45.151 44.740 0.410 26047 1360 1 3 . 1 1 86 86 GLY H H 86 7.341 7.341 7.919 -0.578 26047 1361 1 3 . 1 1 87 87 HIS N N 87 121.870 121.870 120.861 1.009 26047 1362 1 3 . 1 1 87 87 HIS HA H 87 4.967 4.967 4.629 0.338 26047 1363 1 3 . 1 1 87 87 HIS C C 87 172.750 172.750 173.706 -0.956 26047 1364 1 3 . 1 1 87 87 HIS CA C 87 53.029 53.029 52.584 0.445 26047 1365 1 3 . 1 1 87 87 HIS CB C 87 32.349 32.349 30.384 1.965 26047 1366 1 3 . 1 1 87 87 HIS H H 87 8.799 8.799 8.034 0.765 26047 1367 1 3 . 1 1 88 88 PRO HA H 88 4.132 4.132 4.290 -0.158 26047 1368 1 3 . 1 1 88 88 PRO C C 88 176.585 176.585 177.429 -0.844 26047 1369 1 3 . 1 1 88 88 PRO CA C 88 65.123 65.123 63.682 1.441 26047 1370 1 3 . 1 1 88 88 PRO CB C 88 31.851 31.851 31.625 0.226 26047 1371 1 3 . 1 1 89 89 GLY N N 89 113.445 113.445 113.414 0.031 26047 1372 1 3 . 1 1 89 89 GLY C C 89 174.030 174.030 174.788 -0.758 26047 1373 1 3 . 1 1 89 89 GLY CA C 89 45.251 45.251 45.168 0.083 26047 1374 1 3 . 1 1 89 89 GLY H H 89 8.571 8.571 8.729 -0.158 26047 1375 1 3 . 1 1 90 90 ILE N N 90 118.128 118.128 121.114 -2.986 26047 1376 1 3 . 1 1 90 90 ILE HA H 90 4.252 4.252 4.222 0.030 26047 1377 1 3 . 1 1 90 90 ILE C C 90 174.403 174.403 175.942 -1.539 26047 1378 1 3 . 1 1 90 90 ILE CA C 90 62.855 62.855 62.652 0.203 26047 1379 1 3 . 1 1 90 90 ILE CB C 90 41.565 41.565 38.961 2.604 26047 1380 1 3 . 1 1 90 90 ILE H H 90 8.103 8.103 7.605 0.498 26047 1381 1 3 . 1 1 91 91 ILE N N 91 119.444 119.444 120.098 -0.654 26047 1382 1 3 . 1 1 91 91 ILE HA H 91 4.506 4.506 4.450 0.056 26047 1383 1 3 . 1 1 91 91 ILE C C 91 174.345 174.345 173.921 0.424 26047 1384 1 3 . 1 1 91 91 ILE CA C 91 56.335 56.335 56.769 -0.434 26047 1385 1 3 . 1 1 91 91 ILE CB C 91 40.719 40.719 36.826 3.893 26047 1386 1 3 . 1 1 91 91 ILE H H 91 8.241 8.241 7.672 0.569 26047 1387 1 3 . 1 1 92 92 PRO HA H 92 4.717 4.717 4.682 0.035 26047 1388 1 3 . 1 1 92 92 PRO CB C 92 31.011 31.011 31.269 -0.258 26047 1389 1 3 . 1 1 93 93 PRO HA H 93 3.617 3.617 4.332 -0.715 26047 1390 1 3 . 1 1 93 93 PRO C C 93 175.714 175.714 176.660 -0.946 26047 1391 1 3 . 1 1 93 93 PRO CA C 93 63.618 63.618 63.209 0.409 26047 1392 1 3 . 1 1 93 93 PRO CB C 93 33.171 33.171 32.455 0.716 26047 1393 1 3 . 1 1 94 94 HIS N N 94 115.851 115.851 115.665 0.186 26047 1394 1 3 . 1 1 94 94 HIS HA H 94 3.804 3.804 4.240 -0.436 26047 1395 1 3 . 1 1 94 94 HIS C C 94 173.821 173.821 173.831 -0.010 26047 1396 1 3 . 1 1 94 94 HIS CA C 94 57.145 57.145 57.053 0.092 26047 1397 1 3 . 1 1 94 94 HIS CB C 94 27.977 27.977 28.189 -0.213 26047 1398 1 3 . 1 1 94 94 HIS H H 94 7.934 7.934 8.287 -0.353 26047 1399 1 3 . 1 1 95 95 ALA N N 95 122.072 122.072 120.719 1.353 26047 1400 1 3 . 1 1 95 95 ALA HA H 95 4.459 4.459 4.673 -0.214 26047 1401 1 3 . 1 1 95 95 ALA C C 95 177.246 177.246 175.450 1.796 26047 1402 1 3 . 1 1 95 95 ALA CA C 95 52.728 52.728 50.942 1.786 26047 1403 1 3 . 1 1 95 95 ALA CB C 95 20.567 20.567 22.125 -1.558 26047 1404 1 3 . 1 1 95 95 ALA H H 95 7.706 7.706 7.849 -0.143 26047 1405 1 3 . 1 1 96 96 THR N N 96 122.875 122.875 118.615 4.260 26047 1406 1 3 . 1 1 96 96 THR HA H 96 4.650 4.650 4.417 0.233 26047 1407 1 3 . 1 1 96 96 THR C C 96 173.818 173.818 173.890 -0.072 26047 1408 1 3 . 1 1 96 96 THR CA C 96 63.778 63.778 63.267 0.511 26047 1409 1 3 . 1 1 96 96 THR CB C 96 69.588 69.588 69.806 -0.219 26047 1410 1 3 . 1 1 96 96 THR H H 96 8.448 8.448 8.388 0.060 26047 1411 1 3 . 1 1 97 97 LEU N N 97 124.809 124.809 124.482 0.327 26047 1412 1 3 . 1 1 97 97 LEU HA H 97 5.110 5.110 4.775 0.335 26047 1413 1 3 . 1 1 97 97 LEU C C 97 175.041 175.041 175.187 -0.146 26047 1414 1 3 . 1 1 97 97 LEU CA C 97 52.832 52.832 54.020 -1.188 26047 1415 1 3 . 1 1 97 97 LEU CB C 97 46.391 46.391 46.124 0.266 26047 1416 1 3 . 1 1 97 97 LEU H H 97 8.725 8.725 9.122 -0.397 26047 1417 1 3 . 1 1 98 98 VAL N N 98 121.081 121.081 118.542 2.539 26047 1418 1 3 . 1 1 98 98 VAL HA H 98 5.215 5.215 4.519 0.696 26047 1419 1 3 . 1 1 98 98 VAL C C 98 175.150 175.150 174.456 0.694 26047 1420 1 3 . 1 1 98 98 VAL CA C 98 60.662 60.662 61.529 -0.867 26047 1421 1 3 . 1 1 98 98 VAL CB C 98 34.355 34.355 34.244 0.111 26047 1422 1 3 . 1 1 98 98 VAL H H 98 8.692 8.692 8.552 0.140 26047 1423 1 3 . 1 1 99 99 PHE N N 99 123.638 123.638 125.338 -1.700 26047 1424 1 3 . 1 1 99 99 PHE HA H 99 5.754 5.754 5.499 0.255 26047 1425 1 3 . 1 1 99 99 PHE C C 99 174.328 174.328 173.934 0.394 26047 1426 1 3 . 1 1 99 99 PHE CA C 99 55.196 55.196 56.578 -1.382 26047 1427 1 3 . 1 1 99 99 PHE CB C 99 43.396 43.396 43.611 -0.215 26047 1428 1 3 . 1 1 99 99 PHE H H 99 9.724 9.724 9.232 0.492 26047 1429 1 3 . 1 1 100 100 ASP N N 100 124.358 124.358 124.731 -0.373 26047 1430 1 3 . 1 1 100 100 ASP HA H 100 5.164 5.164 5.031 0.133 26047 1431 1 3 . 1 1 100 100 ASP C C 100 176.946 176.946 175.309 1.637 26047 1432 1 3 . 1 1 100 100 ASP CA C 100 52.778 52.778 53.117 -0.340 26047 1433 1 3 . 1 1 100 100 ASP CB C 100 42.320 42.320 43.385 -1.065 26047 1434 1 3 . 1 1 100 100 ASP H H 100 8.775 8.775 8.509 0.266 26047 1435 1 3 . 1 1 101 101 VAL N N 101 126.428 126.428 121.537 4.891 26047 1436 1 3 . 1 1 101 101 VAL HA H 101 5.057 5.057 5.471 -0.414 26047 1437 1 3 . 1 1 101 101 VAL C C 101 172.620 172.620 174.164 -1.544 26047 1438 1 3 . 1 1 101 101 VAL CA C 101 61.041 61.041 58.579 2.462 26047 1439 1 3 . 1 1 101 101 VAL CB C 101 35.481 35.481 34.214 1.267 26047 1440 1 3 . 1 1 101 101 VAL H H 101 9.513 9.513 7.737 1.776 26047 1441 1 3 . 1 1 102 102 GLU N N 102 128.393 128.393 120.590 7.803 26047 1442 1 3 . 1 1 102 102 GLU HA H 102 5.392 5.392 4.894 0.498 26047 1443 1 3 . 1 1 102 102 GLU C C 102 175.174 175.174 175.025 0.149 26047 1444 1 3 . 1 1 102 102 GLU CA C 102 53.979 53.979 53.901 0.077 26047 1445 1 3 . 1 1 102 102 GLU CB C 102 33.852 33.852 32.705 1.147 26047 1446 1 3 . 1 1 102 102 GLU H H 102 9.285 9.285 8.135 1.150 26047 1447 1 3 . 1 1 103 103 LEU N N 103 128.290 128.290 125.620 2.670 26047 1448 1 3 . 1 1 103 103 LEU HA H 103 4.671 4.671 4.322 0.349 26047 1449 1 3 . 1 1 103 103 LEU C C 103 174.266 174.266 175.840 -1.574 26047 1450 1 3 . 1 1 103 103 LEU CA C 103 54.356 54.356 54.725 -0.369 26047 1451 1 3 . 1 1 103 103 LEU CB C 103 41.465 41.465 40.564 0.901 26047 1452 1 3 . 1 1 103 103 LEU H H 103 8.613 8.613 8.763 -0.150 26047 1453 1 4 . 1 1 -2 -2 PRO HA H -2 4.485 4.485 4.713 -0.228 26047 1454 1 4 . 1 1 -2 -2 PRO C C -2 176.570 176.570 177.214 -0.644 26047 1455 1 4 . 1 1 -2 -2 PRO CA C -2 63.243 63.243 62.457 0.786 26047 1456 1 4 . 1 1 -2 -2 PRO CB C -2 32.290 32.290 32.783 -0.493 26047 1457 1 4 . 1 1 -1 -1 SER N N -1 116.659 116.659 118.114 -1.455 26047 1458 1 4 . 1 1 -1 -1 SER HA H -1 4.422 4.422 4.377 0.045 26047 1459 1 4 . 1 1 -1 -1 SER C C -1 174.384 174.384 174.531 -0.147 26047 1460 1 4 . 1 1 -1 -1 SER CA C -1 58.230 58.230 58.359 -0.129 26047 1461 1 4 . 1 1 -1 -1 SER CB C -1 63.838 63.838 63.706 0.132 26047 1462 1 4 . 1 1 -1 -1 SER H H -1 8.542 8.542 8.453 0.089 26047 1463 1 4 . 1 1 0 0 MET N N 0 122.115 122.115 118.947 3.168 26047 1464 1 4 . 1 1 0 0 MET HA H 0 4.441 4.441 4.315 0.126 26047 1465 1 4 . 1 1 0 0 MET C C 0 176.182 176.182 175.498 0.684 26047 1466 1 4 . 1 1 0 0 MET CA C 0 55.346 55.346 56.390 -1.044 26047 1467 1 4 . 1 1 0 0 MET CB C 0 33.248 33.248 31.934 1.314 26047 1468 1 4 . 1 1 0 0 MET H H 0 8.356 8.356 7.713 0.643 26047 1469 1 4 . 1 1 1 1 GLY N N 1 110.724 110.724 110.119 0.605 26047 1470 1 4 . 1 1 1 1 GLY C C 1 172.468 172.468 172.856 -0.388 26047 1471 1 4 . 1 1 1 1 GLY CA C 1 45.585 45.585 44.450 1.135 26047 1472 1 4 . 1 1 1 1 GLY H H 1 8.157 8.157 8.027 0.130 26047 1473 1 4 . 1 1 2 2 VAL N N 2 117.765 117.765 118.451 -0.686 26047 1474 1 4 . 1 1 2 2 VAL HA H 2 4.889 4.889 5.092 -0.203 26047 1475 1 4 . 1 1 2 2 VAL C C 2 173.396 173.396 174.287 -0.891 26047 1476 1 4 . 1 1 2 2 VAL CA C 2 59.731 59.731 60.380 -0.649 26047 1477 1 4 . 1 1 2 2 VAL CB C 2 34.600 34.600 33.973 0.627 26047 1478 1 4 . 1 1 2 2 VAL H H 2 7.471 7.471 7.178 0.293 26047 1479 1 4 . 1 1 3 3 GLN N N 3 126.962 126.962 129.033 -2.071 26047 1480 1 4 . 1 1 3 3 GLN HA H 3 4.686 4.686 4.666 0.020 26047 1481 1 4 . 1 1 3 3 GLN C C 3 174.658 174.658 174.518 0.140 26047 1482 1 4 . 1 1 3 3 GLN CA C 3 54.379 54.379 54.722 -0.343 26047 1483 1 4 . 1 1 3 3 GLN CB C 3 31.669 31.669 31.066 0.603 26047 1484 1 4 . 1 1 3 3 GLN H H 3 8.514 8.514 8.094 0.420 26047 1485 1 4 . 1 1 4 4 VAL N N 4 125.396 125.396 125.136 0.260 26047 1486 1 4 . 1 1 4 4 VAL HA H 4 4.520 4.520 4.330 0.190 26047 1487 1 4 . 1 1 4 4 VAL C C 4 175.411 175.411 175.341 0.070 26047 1488 1 4 . 1 1 4 4 VAL CA C 4 61.993 61.993 61.619 0.374 26047 1489 1 4 . 1 1 4 4 VAL CB C 4 33.355 33.355 32.854 0.501 26047 1490 1 4 . 1 1 4 4 VAL H H 4 8.823 8.823 8.637 0.186 26047 1491 1 4 . 1 1 5 5 GLU N N 5 128.706 128.706 127.837 0.869 26047 1492 1 4 . 1 1 5 5 GLU HA H 5 4.782 4.782 4.652 0.130 26047 1493 1 4 . 1 1 5 5 GLU C C 5 175.830 175.830 175.637 0.193 26047 1494 1 4 . 1 1 5 5 GLU CA C 5 54.451 54.451 54.564 -0.113 26047 1495 1 4 . 1 1 5 5 GLU CB C 5 32.818 32.818 30.988 1.830 26047 1496 1 4 . 1 1 5 5 GLU H H 5 9.024 9.024 8.716 0.308 26047 1497 1 4 . 1 1 6 6 THR N N 6 124.408 124.408 120.229 4.179 26047 1498 1 4 . 1 1 6 6 THR HA H 6 3.898 3.898 4.217 -0.319 26047 1499 1 4 . 1 1 6 6 THR C C 6 173.675 173.675 174.157 -0.482 26047 1500 1 4 . 1 1 6 6 THR CA C 6 66.715 66.715 63.361 3.354 26047 1501 1 4 . 1 1 6 6 THR CB C 6 68.934 68.934 69.352 -0.418 26047 1502 1 4 . 1 1 6 6 THR H H 6 9.173 9.173 8.655 0.518 26047 1503 1 4 . 1 1 7 7 ILE N N 7 129.476 129.476 127.671 1.805 26047 1504 1 4 . 1 1 7 7 ILE HA H 7 4.071 4.071 4.293 -0.222 26047 1505 1 4 . 1 1 7 7 ILE C C 7 175.768 175.768 176.218 -0.450 26047 1506 1 4 . 1 1 7 7 ILE CA C 7 63.285 63.285 61.927 1.358 26047 1507 1 4 . 1 1 7 7 ILE CB C 7 39.659 39.659 39.500 0.159 26047 1508 1 4 . 1 1 7 7 ILE H H 7 9.329 9.329 9.042 0.287 26047 1509 1 4 . 1 1 8 8 SER N N 8 114.774 114.774 115.531 -0.757 26047 1510 1 4 . 1 1 8 8 SER HA H 8 4.987 4.987 4.951 0.036 26047 1511 1 4 . 1 1 8 8 SER C C 8 171.895 171.895 172.327 -0.432 26047 1512 1 4 . 1 1 8 8 SER CA C 8 55.577 55.577 54.734 0.843 26047 1513 1 4 . 1 1 8 8 SER CB C 8 64.384 64.384 64.557 -0.173 26047 1514 1 4 . 1 1 8 8 SER H H 8 8.300 8.300 7.997 0.303 26047 1515 1 4 . 1 1 9 9 PRO HA H 9 4.331 4.331 4.611 -0.280 26047 1516 1 4 . 1 1 9 9 PRO C C 9 177.628 177.628 176.647 0.981 26047 1517 1 4 . 1 1 9 9 PRO CA C 9 63.646 63.646 62.555 1.091 26047 1518 1 4 . 1 1 9 9 PRO CB C 9 32.910 32.910 32.587 0.323 26047 1519 1 4 . 1 1 10 10 GLY N N 10 107.910 107.910 112.464 -4.554 26047 1520 1 4 . 1 1 10 10 GLY C C 10 174.203 174.203 174.126 0.077 26047 1521 1 4 . 1 1 10 10 GLY CA C 10 44.176 44.176 45.059 -0.883 26047 1522 1 4 . 1 1 10 10 GLY H H 10 8.464 8.464 8.119 0.345 26047 1523 1 4 . 1 1 11 11 ASP N N 11 118.911 118.911 121.012 -2.101 26047 1524 1 4 . 1 1 11 11 ASP HA H 11 4.289 4.289 4.637 -0.348 26047 1525 1 4 . 1 1 11 11 ASP C C 11 178.317 178.317 177.377 0.940 26047 1526 1 4 . 1 1 11 11 ASP CA C 11 54.629 54.629 55.874 -1.245 26047 1527 1 4 . 1 1 11 11 ASP CB C 11 39.382 39.382 42.159 -2.777 26047 1528 1 4 . 1 1 11 11 ASP H H 11 8.049 8.049 8.102 -0.053 26047 1529 1 4 . 1 1 12 12 GLY N N 12 108.262 108.262 106.736 1.526 26047 1530 1 4 . 1 1 12 12 GLY C C 12 173.279 173.279 174.196 -0.917 26047 1531 1 4 . 1 1 12 12 GLY CA C 12 46.049 46.049 46.403 -0.354 26047 1532 1 4 . 1 1 12 12 GLY H H 12 8.719 8.719 8.157 0.562 26047 1533 1 4 . 1 1 13 13 ARG N N 13 117.671 117.671 116.382 1.289 26047 1534 1 4 . 1 1 13 13 ARG HA H 13 4.709 4.709 4.679 0.030 26047 1535 1 4 . 1 1 13 13 ARG C C 13 175.038 175.038 174.853 0.185 26047 1536 1 4 . 1 1 13 13 ARG CA C 13 56.794 56.794 55.666 1.128 26047 1537 1 4 . 1 1 13 13 ARG CB C 13 34.416 34.416 31.684 2.732 26047 1538 1 4 . 1 1 13 13 ARG H H 13 8.539 8.539 8.015 0.524 26047 1539 1 4 . 1 1 14 14 THR N N 14 125.323 125.323 118.298 7.025 26047 1540 1 4 . 1 1 14 14 THR HA H 14 4.205 4.205 4.627 -0.422 26047 1541 1 4 . 1 1 14 14 THR C C 14 172.353 172.353 172.761 -0.408 26047 1542 1 4 . 1 1 14 14 THR CA C 14 62.060 62.060 61.673 0.387 26047 1543 1 4 . 1 1 14 14 THR CB C 14 66.395 66.395 68.866 -2.471 26047 1544 1 4 . 1 1 14 14 THR H H 14 10.197 10.197 7.636 2.561 26047 1545 1 4 . 1 1 15 15 PHE N N 15 124.865 124.865 126.288 -1.423 26047 1546 1 4 . 1 1 15 15 PHE HA H 15 5.232 5.232 5.031 0.201 26047 1547 1 4 . 1 1 15 15 PHE C C 15 174.388 174.388 174.821 -0.433 26047 1548 1 4 . 1 1 15 15 PHE CA C 15 54.495 54.495 55.086 -0.591 26047 1549 1 4 . 1 1 15 15 PHE CB C 15 39.883 39.883 39.458 0.425 26047 1550 1 4 . 1 1 15 15 PHE H H 15 8.086 8.086 8.603 -0.517 26047 1551 1 4 . 1 1 19 19 GLY N N 19 112.901 112.901 113.039 -0.138 26047 1552 1 4 . 1 1 19 19 GLY C C 19 174.204 174.204 173.437 0.767 26047 1553 1 4 . 1 1 19 19 GLY CA C 19 44.943 44.943 45.365 -0.422 26047 1554 1 4 . 1 1 19 19 GLY H H 19 8.682 8.682 8.506 0.176 26047 1555 1 4 . 1 1 20 20 GLN N N 20 118.698 118.698 119.888 -1.190 26047 1556 1 4 . 1 1 20 20 GLN HA H 20 4.497 4.497 4.633 -0.136 26047 1557 1 4 . 1 1 20 20 GLN C C 20 174.974 174.974 174.629 0.345 26047 1558 1 4 . 1 1 20 20 GLN CA C 20 56.335 56.335 53.569 2.766 26047 1559 1 4 . 1 1 20 20 GLN CB C 20 30.891 30.891 29.962 0.929 26047 1560 1 4 . 1 1 20 20 GLN H H 20 8.103 8.103 8.028 0.075 26047 1561 1 4 . 1 1 21 21 THR N N 21 119.715 119.715 116.060 3.655 26047 1562 1 4 . 1 1 21 21 THR HA H 21 4.457 4.457 4.848 -0.391 26047 1563 1 4 . 1 1 21 21 THR C C 21 173.797 173.797 174.646 -0.849 26047 1564 1 4 . 1 1 21 21 THR CA C 21 63.067 63.067 61.917 1.150 26047 1565 1 4 . 1 1 21 21 THR CB C 21 68.825 68.825 69.557 -0.732 26047 1566 1 4 . 1 1 21 21 THR H H 21 8.729 8.729 8.420 0.309 26047 1567 1 4 . 1 1 22 22 CYS N N 22 126.008 126.008 124.670 1.338 26047 1568 1 4 . 1 1 22 22 CYS HA H 22 4.269 4.269 4.678 -0.409 26047 1569 1 4 . 1 1 22 22 CYS C C 22 172.458 172.458 173.929 -1.471 26047 1570 1 4 . 1 1 22 22 CYS CA C 22 58.011 58.011 57.700 0.311 26047 1571 1 4 . 1 1 22 22 CYS CB C 22 28.794 28.794 29.393 -0.599 26047 1572 1 4 . 1 1 22 22 CYS H H 22 8.826 8.826 8.565 0.261 26047 1573 1 4 . 1 1 23 23 VAL N N 23 123.456 123.456 127.711 -4.255 26047 1574 1 4 . 1 1 23 23 VAL HA H 23 4.595 4.595 4.316 0.279 26047 1575 1 4 . 1 1 23 23 VAL C C 23 175.899 175.899 174.916 0.983 26047 1576 1 4 . 1 1 23 23 VAL CA C 23 61.411 61.411 62.454 -1.043 26047 1577 1 4 . 1 1 23 23 VAL CB C 23 31.277 31.277 31.541 -0.265 26047 1578 1 4 . 1 1 23 23 VAL H H 23 8.063 8.063 8.853 -0.790 26047 1579 1 4 . 1 1 24 24 VAL N N 24 118.126 118.126 120.721 -2.595 26047 1580 1 4 . 1 1 24 24 VAL HA H 24 5.852 5.852 4.965 0.887 26047 1581 1 4 . 1 1 24 24 VAL C C 24 175.589 175.589 174.386 1.203 26047 1582 1 4 . 1 1 24 24 VAL CA C 24 57.962 57.962 59.710 -1.748 26047 1583 1 4 . 1 1 24 24 VAL CB C 24 35.885 35.885 36.242 -0.357 26047 1584 1 4 . 1 1 24 24 VAL H H 24 9.620 9.620 8.709 0.911 26047 1585 1 4 . 1 1 25 25 HIS N N 25 118.824 118.824 122.358 -3.534 26047 1586 1 4 . 1 1 25 25 HIS HA H 25 5.865 5.865 5.030 0.835 26047 1587 1 4 . 1 1 25 25 HIS C C 25 176.663 176.663 174.292 2.371 26047 1588 1 4 . 1 1 25 25 HIS CA C 25 54.463 54.463 55.673 -1.210 26047 1589 1 4 . 1 1 25 25 HIS CB C 25 35.454 35.454 32.060 3.394 26047 1590 1 4 . 1 1 25 25 HIS H H 25 8.579 8.579 8.395 0.184 26047 1591 1 4 . 1 1 26 26 TYR N N 26 118.524 118.524 122.711 -4.187 26047 1592 1 4 . 1 1 26 26 TYR HA H 26 6.441 6.441 5.537 0.904 26047 1593 1 4 . 1 1 26 26 TYR C C 26 173.864 173.864 174.679 -0.815 26047 1594 1 4 . 1 1 26 26 TYR CA C 26 55.934 55.934 55.060 0.874 26047 1595 1 4 . 1 1 26 26 TYR CB C 26 44.380 44.380 40.596 3.784 26047 1596 1 4 . 1 1 26 26 TYR H H 26 9.937 9.937 8.461 1.476 26047 1597 1 4 . 1 1 27 27 THR N N 27 117.098 117.098 115.668 1.430 26047 1598 1 4 . 1 1 27 27 THR HA H 27 4.482 4.482 4.734 -0.252 26047 1599 1 4 . 1 1 27 27 THR C C 27 172.648 172.648 173.721 -1.073 26047 1600 1 4 . 1 1 27 27 THR CA C 27 63.163 63.163 61.794 1.369 26047 1601 1 4 . 1 1 27 27 THR CB C 27 72.324 72.324 70.400 1.924 26047 1602 1 4 . 1 1 27 27 THR H H 27 8.716 8.716 8.645 0.071 26047 1603 1 4 . 1 1 28 28 GLY N N 28 115.590 115.590 113.720 1.870 26047 1604 1 4 . 1 1 28 28 GLY C C 28 171.083 171.083 171.452 -0.369 26047 1605 1 4 . 1 1 28 28 GLY CA C 28 45.419 45.419 43.218 2.201 26047 1606 1 4 . 1 1 28 28 GLY H H 28 9.316 9.316 9.246 0.070 26047 1607 1 4 . 1 1 29 29 MET N N 29 125.723 125.723 124.387 1.336 26047 1608 1 4 . 1 1 29 29 MET HA H 29 5.251 5.251 4.594 0.657 26047 1609 1 4 . 1 1 29 29 MET C C 29 175.508 175.508 175.573 -0.065 26047 1610 1 4 . 1 1 29 29 MET CA C 29 54.221 54.221 54.173 0.048 26047 1611 1 4 . 1 1 29 29 MET CB C 29 37.913 37.913 36.623 1.290 26047 1612 1 4 . 1 1 29 29 MET H H 29 9.192 9.192 8.795 0.397 26047 1613 1 4 . 1 1 30 30 LEU N N 30 119.150 119.150 123.708 -4.558 26047 1614 1 4 . 1 1 30 30 LEU HA H 30 4.772 4.772 4.238 0.534 26047 1615 1 4 . 1 1 30 30 LEU C C 30 179.278 179.278 178.736 0.542 26047 1616 1 4 . 1 1 30 30 LEU CA C 30 54.169 54.169 55.954 -1.785 26047 1617 1 4 . 1 1 30 30 LEU CB C 30 41.634 41.634 42.634 -1.000 26047 1618 1 4 . 1 1 30 30 LEU H H 30 8.433 8.433 8.816 -0.383 26047 1619 1 4 . 1 1 31 31 GLU N N 31 120.636 120.636 120.921 -0.285 26047 1620 1 4 . 1 1 31 31 GLU HA H 31 3.816 3.816 4.010 -0.194 26047 1621 1 4 . 1 1 31 31 GLU C C 31 176.568 176.568 177.433 -0.865 26047 1622 1 4 . 1 1 31 31 GLU CA C 31 59.788 59.788 59.286 0.502 26047 1623 1 4 . 1 1 31 31 GLU CB C 31 29.883 29.883 29.744 0.139 26047 1624 1 4 . 1 1 31 31 GLU H H 31 9.110 9.110 9.106 0.004 26047 1625 1 4 . 1 1 32 32 ASP N N 32 115.429 115.429 115.470 -0.041 26047 1626 1 4 . 1 1 32 32 ASP HA H 32 4.420 4.420 4.721 -0.301 26047 1627 1 4 . 1 1 32 32 ASP C C 32 177.209 177.209 175.889 1.320 26047 1628 1 4 . 1 1 32 32 ASP CA C 32 53.556 53.556 54.276 -0.720 26047 1629 1 4 . 1 1 32 32 ASP CB C 32 40.030 40.030 41.342 -1.312 26047 1630 1 4 . 1 1 32 32 ASP H H 32 7.826 7.826 8.213 -0.387 26047 1631 1 4 . 1 1 37 37 ASP N N 37 118.871 118.871 122.686 -3.815 26047 1632 1 4 . 1 1 37 37 ASP HA H 37 4.827 4.827 4.846 -0.019 26047 1633 1 4 . 1 1 37 37 ASP C C 37 174.807 174.807 174.011 0.796 26047 1634 1 4 . 1 1 37 37 ASP CA C 37 54.739 54.739 55.042 -0.303 26047 1635 1 4 . 1 1 37 37 ASP CB C 37 44.386 44.386 43.737 0.649 26047 1636 1 4 . 1 1 37 37 ASP H H 37 6.765 6.765 7.661 -0.896 26047 1637 1 4 . 1 1 38 38 SER N N 38 118.532 118.532 121.463 -2.931 26047 1638 1 4 . 1 1 38 38 SER HA H 38 4.581 4.581 4.811 -0.230 26047 1639 1 4 . 1 1 38 38 SER C C 38 174.967 174.967 174.329 0.638 26047 1640 1 4 . 1 1 38 38 SER CA C 38 57.033 57.033 57.180 -0.147 26047 1641 1 4 . 1 1 38 38 SER CB C 38 64.862 64.862 65.560 -0.698 26047 1642 1 4 . 1 1 38 38 SER H H 38 8.196 8.196 8.533 -0.337 26047 1643 1 4 . 1 1 39 39 SER N N 39 124.920 124.920 120.786 4.134 26047 1644 1 4 . 1 1 39 39 SER HA H 39 4.131 4.131 4.264 -0.133 26047 1645 1 4 . 1 1 39 39 SER C C 39 177.101 177.101 176.136 0.965 26047 1646 1 4 . 1 1 39 39 SER CA C 39 61.690 61.690 60.500 1.190 26047 1647 1 4 . 1 1 39 39 SER CB C 39 61.632 61.632 62.705 -1.073 26047 1648 1 4 . 1 1 39 39 SER H H 39 7.872 7.872 7.926 -0.054 26047 1649 1 4 . 1 1 40 40 ARG N N 40 124.309 124.309 120.263 4.046 26047 1650 1 4 . 1 1 40 40 ARG HA H 40 3.607 3.607 4.367 -0.760 26047 1651 1 4 . 1 1 40 40 ARG C C 40 179.844 179.844 178.364 1.480 26047 1652 1 4 . 1 1 40 40 ARG CA C 40 58.859 58.859 58.573 0.286 26047 1653 1 4 . 1 1 40 40 ARG CB C 40 28.763 28.763 29.649 -0.886 26047 1654 1 4 . 1 1 40 40 ARG H H 40 7.617 7.617 7.749 -0.132 26047 1655 1 4 . 1 1 41 41 ASP N N 41 118.394 118.394 120.642 -2.248 26047 1656 1 4 . 1 1 41 41 ASP HA H 41 4.314 4.314 4.458 -0.144 26047 1657 1 4 . 1 1 41 41 ASP C C 41 176.750 176.750 177.173 -0.423 26047 1658 1 4 . 1 1 41 41 ASP CA C 41 56.536 56.536 56.932 -0.396 26047 1659 1 4 . 1 1 41 41 ASP CB C 41 40.095 40.095 40.333 -0.238 26047 1660 1 4 . 1 1 41 41 ASP H H 41 7.079 7.079 8.557 -1.478 26047 1661 1 4 . 1 1 42 42 ARG N N 42 115.037 115.037 117.066 -2.029 26047 1662 1 4 . 1 1 42 42 ARG HA H 42 4.431 4.431 4.391 0.040 26047 1663 1 4 . 1 1 42 42 ARG C C 42 175.430 175.430 175.709 -0.279 26047 1664 1 4 . 1 1 42 42 ARG CA C 42 56.099 56.099 55.837 0.262 26047 1665 1 4 . 1 1 42 42 ARG CB C 42 31.577 31.577 30.380 1.197 26047 1666 1 4 . 1 1 42 42 ARG H H 42 6.859 6.859 7.855 -0.996 26047 1667 1 4 . 1 1 49 49 MET N N 49 123.105 123.105 120.272 2.833 26047 1668 1 4 . 1 1 49 49 MET HA H 49 4.681 4.681 4.995 -0.314 26047 1669 1 4 . 1 1 49 49 MET C C 49 176.492 176.492 175.017 1.475 26047 1670 1 4 . 1 1 49 49 MET CA C 49 54.487 54.487 54.562 -0.075 26047 1671 1 4 . 1 1 49 49 MET CB C 49 33.755 33.755 35.496 -1.741 26047 1672 1 4 . 1 1 49 49 MET H H 49 9.261 9.261 8.615 0.646 26047 1673 1 4 . 1 1 50 50 LEU N N 50 131.689 131.689 123.543 8.146 26047 1674 1 4 . 1 1 50 50 LEU HA H 50 4.210 4.210 4.715 -0.505 26047 1675 1 4 . 1 1 50 50 LEU C C 50 177.825 177.825 177.991 -0.166 26047 1676 1 4 . 1 1 50 50 LEU CA C 50 57.249 57.249 54.189 3.060 26047 1677 1 4 . 1 1 50 50 LEU CB C 50 41.752 41.752 41.505 0.247 26047 1678 1 4 . 1 1 50 50 LEU H H 50 8.633 8.633 7.836 0.797 26047 1679 1 4 . 1 1 54 54 GLU N N 54 117.417 117.417 119.692 -2.275 26047 1680 1 4 . 1 1 54 54 GLU HA H 54 4.220 4.220 4.280 -0.060 26047 1681 1 4 . 1 1 54 54 GLU C C 54 176.221 176.221 175.898 0.323 26047 1682 1 4 . 1 1 54 54 GLU CA C 54 57.447 57.447 57.787 -0.340 26047 1683 1 4 . 1 1 54 54 GLU CB C 54 31.200 31.200 30.504 0.696 26047 1684 1 4 . 1 1 54 54 GLU H H 54 9.389 9.389 8.856 0.533 26047 1685 1 4 . 1 1 55 55 VAL N N 55 108.426 108.426 113.362 -4.936 26047 1686 1 4 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.211 0.103 26047 1687 1 4 . 1 1 55 55 VAL C C 55 175.226 175.226 174.558 0.668 26047 1688 1 4 . 1 1 55 55 VAL CA C 55 57.461 57.461 59.398 -1.937 26047 1689 1 4 . 1 1 55 55 VAL CB C 55 35.557 35.557 34.043 1.514 26047 1690 1 4 . 1 1 55 55 VAL H H 55 6.820 6.820 7.271 -0.451 26047 1691 1 4 . 1 1 56 56 ILE N N 56 111.618 111.618 113.818 -2.200 26047 1692 1 4 . 1 1 56 56 ILE HA H 56 3.853 3.853 4.111 -0.258 26047 1693 1 4 . 1 1 56 56 ILE C C 56 177.344 177.344 176.306 1.038 26047 1694 1 4 . 1 1 56 56 ILE CA C 56 61.975 61.975 60.541 1.434 26047 1695 1 4 . 1 1 56 56 ILE CB C 56 38.342 38.342 38.149 0.193 26047 1696 1 4 . 1 1 56 56 ILE H H 56 7.404 7.404 7.391 0.013 26047 1697 1 4 . 1 1 57 57 ARG N N 57 124.436 124.436 123.538 0.898 26047 1698 1 4 . 1 1 57 57 ARG HA H 57 4.063 4.063 4.022 0.041 26047 1699 1 4 . 1 1 57 57 ARG C C 57 179.428 179.428 178.567 0.861 26047 1700 1 4 . 1 1 57 57 ARG CA C 57 59.838 59.838 59.654 0.184 26047 1701 1 4 . 1 1 57 57 ARG CB C 57 30.630 30.630 30.200 0.430 26047 1702 1 4 . 1 1 57 57 ARG H H 57 8.631 8.631 8.459 0.172 26047 1703 1 4 . 1 1 58 58 GLY N N 58 107.151 107.151 105.044 2.107 26047 1704 1 4 . 1 1 58 58 GLY C C 58 175.210 175.210 175.465 -0.255 26047 1705 1 4 . 1 1 58 58 GLY CA C 58 47.621 47.621 46.706 0.915 26047 1706 1 4 . 1 1 58 58 GLY H H 58 9.688 9.688 7.977 1.711 26047 1707 1 4 . 1 1 59 59 TRP N N 59 119.956 119.956 121.399 -1.443 26047 1708 1 4 . 1 1 59 59 TRP HA H 59 4.227 4.227 4.531 -0.304 26047 1709 1 4 . 1 1 59 59 TRP C C 59 177.529 177.529 178.622 -1.093 26047 1710 1 4 . 1 1 59 59 TRP CA C 59 59.681 59.681 58.557 1.124 26047 1711 1 4 . 1 1 59 59 TRP CB C 59 29.092 29.092 29.378 -0.286 26047 1712 1 4 . 1 1 59 59 TRP H H 59 7.534 7.534 7.472 0.062 26047 1713 1 4 . 1 1 60 60 GLU N N 60 118.374 118.374 119.103 -0.729 26047 1714 1 4 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.215 -0.325 26047 1715 1 4 . 1 1 60 60 GLU C C 60 178.377 178.377 179.312 -0.935 26047 1716 1 4 . 1 1 60 60 GLU CA C 60 61.081 61.081 59.968 1.113 26047 1717 1 4 . 1 1 60 60 GLU CB C 60 29.417 29.417 29.489 -0.072 26047 1718 1 4 . 1 1 60 60 GLU H H 60 7.275 7.275 7.973 -0.698 26047 1719 1 4 . 1 1 61 61 GLU N N 61 113.896 113.896 117.304 -3.408 26047 1720 1 4 . 1 1 61 61 GLU HA H 61 4.149 4.149 4.371 -0.222 26047 1721 1 4 . 1 1 61 61 GLU C C 61 179.320 179.320 178.248 1.072 26047 1722 1 4 . 1 1 61 61 GLU CA C 61 58.633 58.633 58.150 0.483 26047 1723 1 4 . 1 1 61 61 GLU CB C 61 29.872 29.872 29.735 0.137 26047 1724 1 4 . 1 1 61 61 GLU H H 61 8.390 8.390 8.166 0.224 26047 1725 1 4 . 1 1 62 62 GLY N N 62 106.899 106.899 108.237 -1.338 26047 1726 1 4 . 1 1 62 62 GLY C C 62 174.585 174.585 176.426 -1.841 26047 1727 1 4 . 1 1 62 62 GLY CA C 62 47.194 47.194 46.176 1.018 26047 1728 1 4 . 1 1 62 62 GLY H H 62 7.932 7.932 7.734 0.198 26047 1729 1 4 . 1 1 63 63 VAL N N 63 120.730 120.730 122.541 -1.811 26047 1730 1 4 . 1 1 63 63 VAL HA H 63 3.927 3.927 3.880 0.047 26047 1731 1 4 . 1 1 63 63 VAL C C 63 177.334 177.334 177.415 -0.081 26047 1732 1 4 . 1 1 63 63 VAL CA C 63 65.419 65.419 65.336 0.083 26047 1733 1 4 . 1 1 63 63 VAL CB C 63 31.126 31.126 31.567 -0.441 26047 1734 1 4 . 1 1 63 63 VAL H H 63 8.688 8.688 8.622 0.066 26047 1735 1 4 . 1 1 64 64 ALA N N 64 117.132 117.132 120.411 -3.279 26047 1736 1 4 . 1 1 64 64 ALA HA H 64 4.014 4.014 4.311 -0.297 26047 1737 1 4 . 1 1 64 64 ALA C C 64 177.759 177.759 178.145 -0.386 26047 1738 1 4 . 1 1 64 64 ALA CA C 64 54.526 54.526 53.783 0.743 26047 1739 1 4 . 1 1 64 64 ALA CB C 64 18.715 18.715 18.633 0.083 26047 1740 1 4 . 1 1 64 64 ALA H H 64 7.160 7.160 8.173 -1.013 26047 1741 1 4 . 1 1 65 65 GLN N N 65 112.231 112.231 116.254 -4.023 26047 1742 1 4 . 1 1 65 65 GLN HA H 65 4.359 4.359 4.368 -0.009 26047 1743 1 4 . 1 1 65 65 GLN C C 65 175.568 175.568 175.914 -0.346 26047 1744 1 4 . 1 1 65 65 GLN CA C 65 55.459 55.459 56.047 -0.588 26047 1745 1 4 . 1 1 65 65 GLN CB C 65 30.028 30.028 29.567 0.461 26047 1746 1 4 . 1 1 65 65 GLN H H 65 7.143 7.143 7.870 -0.727 26047 1747 1 4 . 1 1 66 66 MET N N 66 122.412 122.412 118.061 4.351 26047 1748 1 4 . 1 1 66 66 MET HA H 66 4.788 4.788 4.825 -0.037 26047 1749 1 4 . 1 1 66 66 MET C C 66 172.467 172.467 175.161 -2.694 26047 1750 1 4 . 1 1 66 66 MET CA C 66 55.118 55.118 54.486 0.632 26047 1751 1 4 . 1 1 66 66 MET CB C 66 35.667 35.667 34.836 0.832 26047 1752 1 4 . 1 1 66 66 MET H H 66 7.965 7.965 7.483 0.482 26047 1753 1 4 . 1 1 67 67 SER N N 67 107.611 107.611 114.188 -6.577 26047 1754 1 4 . 1 1 67 67 SER HA H 67 4.833 4.833 4.444 0.389 26047 1755 1 4 . 1 1 67 67 SER C C 67 176.275 176.275 174.358 1.917 26047 1756 1 4 . 1 1 67 67 SER CA C 67 54.465 54.465 56.010 -1.545 26047 1757 1 4 . 1 1 67 67 SER CB C 67 65.982 65.982 64.859 1.123 26047 1758 1 4 . 1 1 67 67 SER H H 67 8.182 8.182 8.138 0.044 26047 1759 1 4 . 1 1 68 68 VAL N N 68 119.266 119.266 120.990 -1.724 26047 1760 1 4 . 1 1 68 68 VAL HA H 68 3.105 3.105 3.595 -0.490 26047 1761 1 4 . 1 1 68 68 VAL C C 68 176.390 176.390 176.785 -0.395 26047 1762 1 4 . 1 1 68 68 VAL CA C 68 67.074 67.074 64.967 2.107 26047 1763 1 4 . 1 1 68 68 VAL CB C 68 31.503 31.503 30.805 0.699 26047 1764 1 4 . 1 1 68 68 VAL H H 68 7.650 7.650 8.197 -0.547 26047 1765 1 4 . 1 1 69 69 GLY N N 69 116.900 116.900 114.132 2.768 26047 1766 1 4 . 1 1 69 69 GLY C C 69 173.934 173.934 173.755 0.179 26047 1767 1 4 . 1 1 69 69 GLY CA C 69 44.407 44.407 44.984 -0.577 26047 1768 1 4 . 1 1 69 69 GLY H H 69 8.855 8.855 8.630 0.225 26047 1769 1 4 . 1 1 70 70 GLN N N 70 123.210 123.210 120.616 2.594 26047 1770 1 4 . 1 1 70 70 GLN HA H 70 4.035 4.035 4.770 -0.735 26047 1771 1 4 . 1 1 70 70 GLN C C 70 173.663 173.663 174.428 -0.765 26047 1772 1 4 . 1 1 70 70 GLN CA C 70 55.788 55.788 54.748 1.040 26047 1773 1 4 . 1 1 70 70 GLN CB C 70 30.551 30.551 31.446 -0.895 26047 1774 1 4 . 1 1 70 70 GLN H H 70 8.607 8.607 7.922 0.685 26047 1775 1 4 . 1 1 71 71 ARG N N 71 124.586 124.586 126.151 -1.565 26047 1776 1 4 . 1 1 71 71 ARG HA H 71 5.660 5.660 4.839 0.821 26047 1777 1 4 . 1 1 71 71 ARG C C 71 175.582 175.582 173.980 1.602 26047 1778 1 4 . 1 1 71 71 ARG CA C 71 53.936 53.936 54.709 -0.773 26047 1779 1 4 . 1 1 71 71 ARG CB C 71 33.739 33.739 32.507 1.232 26047 1780 1 4 . 1 1 71 71 ARG H H 71 8.802 8.802 8.658 0.144 26047 1781 1 4 . 1 1 75 75 THR N N 75 121.856 121.856 121.378 0.478 26047 1782 1 4 . 1 1 75 75 THR HA H 75 5.052 5.052 4.733 0.319 26047 1783 1 4 . 1 1 75 75 THR C C 75 175.079 175.079 173.535 1.544 26047 1784 1 4 . 1 1 75 75 THR CA C 75 63.355 63.355 62.698 0.657 26047 1785 1 4 . 1 1 75 75 THR CB C 75 68.790 68.790 69.453 -0.662 26047 1786 1 4 . 1 1 75 75 THR H H 75 8.884 8.884 8.779 0.105 26047 1787 1 4 . 1 1 76 76 ILE N N 76 129.859 129.859 128.301 1.558 26047 1788 1 4 . 1 1 76 76 ILE HA H 76 4.680 4.680 4.798 -0.118 26047 1789 1 4 . 1 1 76 76 ILE C C 76 173.943 173.943 175.575 -1.632 26047 1790 1 4 . 1 1 76 76 ILE CA C 76 60.898 60.898 58.281 2.617 26047 1791 1 4 . 1 1 76 76 ILE CB C 76 41.236 41.236 39.576 1.660 26047 1792 1 4 . 1 1 76 76 ILE H H 76 9.864 9.864 8.877 0.987 26047 1793 1 4 . 1 1 77 77 SER N N 77 123.243 123.243 119.618 3.625 26047 1794 1 4 . 1 1 77 77 SER HA H 77 4.732 4.732 5.146 -0.414 26047 1795 1 4 . 1 1 77 77 SER C C 77 173.647 173.647 174.067 -0.420 26047 1796 1 4 . 1 1 77 77 SER CA C 77 57.726 57.726 55.438 2.288 26047 1797 1 4 . 1 1 77 77 SER CB C 77 62.763 62.763 63.735 -0.972 26047 1798 1 4 . 1 1 77 77 SER H H 77 8.612 8.612 8.366 0.246 26047 1799 1 4 . 1 1 78 78 PRO HA H 78 4.488 4.488 4.433 0.056 26047 1800 1 4 . 1 1 78 78 PRO C C 78 180.133 180.133 177.295 2.838 26047 1801 1 4 . 1 1 78 78 PRO CA C 78 65.828 65.828 65.162 0.666 26047 1802 1 4 . 1 1 78 78 PRO CB C 78 30.995 30.995 32.036 -1.041 26047 1803 1 4 . 1 1 79 79 ASP N N 79 115.934 115.934 116.095 -0.161 26047 1804 1 4 . 1 1 79 79 ASP HA H 79 4.390 4.390 4.587 -0.197 26047 1805 1 4 . 1 1 79 79 ASP C C 79 176.810 176.810 177.083 -0.273 26047 1806 1 4 . 1 1 79 79 ASP CA C 79 56.159 56.159 56.422 -0.264 26047 1807 1 4 . 1 1 79 79 ASP CB C 79 39.361 39.361 40.866 -1.505 26047 1808 1 4 . 1 1 79 79 ASP H H 79 8.799 8.799 8.764 0.035 26047 1809 1 4 . 1 1 80 80 TYR N N 80 120.969 120.969 118.498 2.471 26047 1810 1 4 . 1 1 80 80 TYR HA H 80 4.377 4.377 4.514 -0.137 26047 1811 1 4 . 1 1 80 80 TYR C C 80 173.332 173.332 175.958 -2.626 26047 1812 1 4 . 1 1 80 80 TYR CA C 80 57.597 57.597 59.458 -1.861 26047 1813 1 4 . 1 1 80 80 TYR CB C 80 38.903 38.903 39.970 -1.067 26047 1814 1 4 . 1 1 80 80 TYR H H 80 8.116 8.116 7.727 0.389 26047 1815 1 4 . 1 1 81 81 ALA N N 81 125.669 125.669 122.793 2.876 26047 1816 1 4 . 1 1 81 81 ALA HA H 81 4.421 4.421 3.997 0.424 26047 1817 1 4 . 1 1 81 81 ALA C C 81 175.888 175.888 177.253 -1.365 26047 1818 1 4 . 1 1 81 81 ALA CA C 81 51.701 51.701 54.528 -2.827 26047 1819 1 4 . 1 1 81 81 ALA CB C 81 19.334 19.334 19.121 0.213 26047 1820 1 4 . 1 1 81 81 ALA H H 81 7.801 7.801 8.375 -0.574 26047 1821 1 4 . 1 1 82 82 TYR N N 82 122.080 122.080 114.792 7.288 26047 1822 1 4 . 1 1 82 82 TYR HA H 82 4.566 4.566 4.590 -0.024 26047 1823 1 4 . 1 1 82 82 TYR C C 82 176.653 176.653 176.487 0.166 26047 1824 1 4 . 1 1 82 82 TYR CA C 82 58.865 58.865 58.486 0.379 26047 1825 1 4 . 1 1 82 82 TYR CB C 82 37.995 37.995 41.751 -3.756 26047 1826 1 4 . 1 1 82 82 TYR H H 82 9.321 9.321 7.612 1.709 26047 1827 1 4 . 1 1 83 83 GLY N N 83 108.394 108.394 106.634 1.760 26047 1828 1 4 . 1 1 83 83 GLY C C 83 175.214 175.214 172.797 2.417 26047 1829 1 4 . 1 1 83 83 GLY CA C 83 46.827 46.827 45.340 1.487 26047 1830 1 4 . 1 1 83 83 GLY H H 83 8.535 8.535 7.925 0.610 26047 1831 1 4 . 1 1 84 84 ALA HA H 84 3.273 3.273 4.245 -0.972 26047 1832 1 4 . 1 1 84 84 ALA C C 84 177.536 177.536 177.941 -0.405 26047 1833 1 4 . 1 1 84 84 ALA CA C 84 53.514 53.514 53.582 -0.068 26047 1834 1 4 . 1 1 84 84 ALA CB C 84 19.318 19.318 19.044 0.274 26047 1835 1 4 . 1 1 85 85 THR N N 85 109.341 109.341 113.409 -4.068 26047 1836 1 4 . 1 1 85 85 THR HA H 85 4.038 4.038 4.226 -0.188 26047 1837 1 4 . 1 1 85 85 THR C C 85 177.149 177.149 175.126 2.023 26047 1838 1 4 . 1 1 85 85 THR CA C 85 64.040 64.040 62.237 1.802 26047 1839 1 4 . 1 1 85 85 THR CB C 85 69.466 69.466 69.652 -0.186 26047 1840 1 4 . 1 1 85 85 THR H H 85 7.927 7.927 7.973 -0.046 26047 1841 1 4 . 1 1 86 86 GLY N N 86 106.961 106.961 109.502 -2.541 26047 1842 1 4 . 1 1 86 86 GLY C C 86 171.567 171.567 172.827 -1.260 26047 1843 1 4 . 1 1 86 86 GLY CA C 86 45.151 45.151 44.516 0.635 26047 1844 1 4 . 1 1 86 86 GLY H H 86 7.341 7.341 7.656 -0.315 26047 1845 1 4 . 1 1 87 87 HIS N N 87 121.870 121.870 120.393 1.477 26047 1846 1 4 . 1 1 87 87 HIS HA H 87 4.967 4.967 4.654 0.313 26047 1847 1 4 . 1 1 87 87 HIS C C 87 172.750 172.750 173.658 -0.908 26047 1848 1 4 . 1 1 87 87 HIS CA C 87 53.029 53.029 52.632 0.397 26047 1849 1 4 . 1 1 87 87 HIS CB C 87 32.349 32.349 30.637 1.712 26047 1850 1 4 . 1 1 87 87 HIS H H 87 8.799 8.799 8.026 0.773 26047 1851 1 4 . 1 1 88 88 PRO HA H 88 4.132 4.132 4.296 -0.164 26047 1852 1 4 . 1 1 88 88 PRO C C 88 176.585 176.585 177.404 -0.819 26047 1853 1 4 . 1 1 88 88 PRO CA C 88 65.123 65.123 63.675 1.448 26047 1854 1 4 . 1 1 88 88 PRO CB C 88 31.851 31.851 31.722 0.129 26047 1855 1 4 . 1 1 89 89 GLY N N 89 113.445 113.445 113.298 0.147 26047 1856 1 4 . 1 1 89 89 GLY C C 89 174.030 174.030 174.732 -0.702 26047 1857 1 4 . 1 1 89 89 GLY CA C 89 45.251 45.251 45.131 0.120 26047 1858 1 4 . 1 1 89 89 GLY H H 89 8.571 8.571 8.691 -0.120 26047 1859 1 4 . 1 1 90 90 ILE N N 90 118.128 118.128 121.153 -3.025 26047 1860 1 4 . 1 1 90 90 ILE HA H 90 4.252 4.252 4.213 0.039 26047 1861 1 4 . 1 1 90 90 ILE C C 90 174.403 174.403 175.911 -1.508 26047 1862 1 4 . 1 1 90 90 ILE CA C 90 62.855 62.855 62.544 0.311 26047 1863 1 4 . 1 1 90 90 ILE CB C 90 41.565 41.565 38.995 2.570 26047 1864 1 4 . 1 1 90 90 ILE H H 90 8.103 8.103 7.640 0.463 26047 1865 1 4 . 1 1 91 91 ILE N N 91 119.444 119.444 120.369 -0.925 26047 1866 1 4 . 1 1 91 91 ILE HA H 91 4.506 4.506 4.329 0.177 26047 1867 1 4 . 1 1 91 91 ILE C C 91 174.345 174.345 173.810 0.535 26047 1868 1 4 . 1 1 91 91 ILE CA C 91 56.335 56.335 56.988 -0.653 26047 1869 1 4 . 1 1 91 91 ILE CB C 91 40.719 40.719 36.735 3.984 26047 1870 1 4 . 1 1 91 91 ILE H H 91 8.241 8.241 7.537 0.704 26047 1871 1 4 . 1 1 92 92 PRO HA H 92 4.717 4.717 4.690 0.027 26047 1872 1 4 . 1 1 92 92 PRO CB C 92 31.011 31.011 31.373 -0.362 26047 1873 1 4 . 1 1 93 93 PRO HA H 93 3.617 3.617 4.307 -0.690 26047 1874 1 4 . 1 1 93 93 PRO C C 93 175.714 175.714 176.973 -1.259 26047 1875 1 4 . 1 1 93 93 PRO CA C 93 63.618 63.618 63.091 0.527 26047 1876 1 4 . 1 1 93 93 PRO CB C 93 33.171 33.171 32.370 0.801 26047 1877 1 4 . 1 1 94 94 HIS N N 94 115.851 115.851 116.556 -0.705 26047 1878 1 4 . 1 1 94 94 HIS HA H 94 3.804 3.804 4.164 -0.360 26047 1879 1 4 . 1 1 94 94 HIS C C 94 173.821 173.821 173.745 0.076 26047 1880 1 4 . 1 1 94 94 HIS CA C 94 57.145 57.145 57.546 -0.401 26047 1881 1 4 . 1 1 94 94 HIS CB C 94 27.977 27.977 27.716 0.261 26047 1882 1 4 . 1 1 94 94 HIS H H 94 7.934 7.934 8.517 -0.583 26047 1883 1 4 . 1 1 95 95 ALA N N 95 122.072 122.072 120.930 1.142 26047 1884 1 4 . 1 1 95 95 ALA HA H 95 4.459 4.459 4.644 -0.185 26047 1885 1 4 . 1 1 95 95 ALA C C 95 177.246 177.246 175.576 1.670 26047 1886 1 4 . 1 1 95 95 ALA CA C 95 52.728 52.728 50.832 1.896 26047 1887 1 4 . 1 1 95 95 ALA CB C 95 20.567 20.567 21.738 -1.171 26047 1888 1 4 . 1 1 95 95 ALA H H 95 7.706 7.706 7.722 -0.016 26047 1889 1 4 . 1 1 96 96 THR N N 96 122.875 122.875 119.062 3.813 26047 1890 1 4 . 1 1 96 96 THR HA H 96 4.650 4.650 4.405 0.245 26047 1891 1 4 . 1 1 96 96 THR C C 96 173.818 173.818 173.937 -0.119 26047 1892 1 4 . 1 1 96 96 THR CA C 96 63.778 63.778 63.634 0.144 26047 1893 1 4 . 1 1 96 96 THR CB C 96 69.588 69.588 69.633 -0.045 26047 1894 1 4 . 1 1 96 96 THR H H 96 8.448 8.448 8.231 0.217 26047 1895 1 4 . 1 1 97 97 LEU N N 97 124.809 124.809 124.433 0.376 26047 1896 1 4 . 1 1 97 97 LEU HA H 97 5.110 5.110 4.737 0.373 26047 1897 1 4 . 1 1 97 97 LEU C C 97 175.041 175.041 175.449 -0.408 26047 1898 1 4 . 1 1 97 97 LEU CA C 97 52.832 52.832 53.952 -1.120 26047 1899 1 4 . 1 1 97 97 LEU CB C 97 46.391 46.391 45.594 0.797 26047 1900 1 4 . 1 1 97 97 LEU H H 97 8.725 8.725 8.974 -0.249 26047 1901 1 4 . 1 1 98 98 VAL N N 98 121.081 121.081 118.569 2.512 26047 1902 1 4 . 1 1 98 98 VAL HA H 98 5.215 5.215 4.519 0.696 26047 1903 1 4 . 1 1 98 98 VAL C C 98 175.150 175.150 174.468 0.682 26047 1904 1 4 . 1 1 98 98 VAL CA C 98 60.662 60.662 61.459 -0.797 26047 1905 1 4 . 1 1 98 98 VAL CB C 98 34.355 34.355 33.990 0.365 26047 1906 1 4 . 1 1 98 98 VAL H H 98 8.692 8.692 8.504 0.188 26047 1907 1 4 . 1 1 99 99 PHE N N 99 123.638 123.638 125.604 -1.966 26047 1908 1 4 . 1 1 99 99 PHE HA H 99 5.754 5.754 5.637 0.117 26047 1909 1 4 . 1 1 99 99 PHE C C 99 174.328 174.328 174.048 0.280 26047 1910 1 4 . 1 1 99 99 PHE CA C 99 55.196 55.196 56.409 -1.213 26047 1911 1 4 . 1 1 99 99 PHE CB C 99 43.396 43.396 43.518 -0.122 26047 1912 1 4 . 1 1 99 99 PHE H H 99 9.724 9.724 9.253 0.471 26047 1913 1 4 . 1 1 100 100 ASP N N 100 124.358 124.358 124.420 -0.062 26047 1914 1 4 . 1 1 100 100 ASP HA H 100 5.164 5.164 5.061 0.103 26047 1915 1 4 . 1 1 100 100 ASP C C 100 176.946 176.946 175.413 1.533 26047 1916 1 4 . 1 1 100 100 ASP CA C 100 52.778 52.778 53.387 -0.609 26047 1917 1 4 . 1 1 100 100 ASP CB C 100 42.320 42.320 43.297 -0.977 26047 1918 1 4 . 1 1 100 100 ASP H H 100 8.775 8.775 8.572 0.203 26047 1919 1 4 . 1 1 101 101 VAL N N 101 126.428 126.428 120.465 5.963 26047 1920 1 4 . 1 1 101 101 VAL HA H 101 5.057 5.057 5.487 -0.430 26047 1921 1 4 . 1 1 101 101 VAL C C 101 172.620 172.620 173.982 -1.362 26047 1922 1 4 . 1 1 101 101 VAL CA C 101 61.041 61.041 59.270 1.770 26047 1923 1 4 . 1 1 101 101 VAL CB C 101 35.481 35.481 34.904 0.577 26047 1924 1 4 . 1 1 101 101 VAL H H 101 9.513 9.513 7.690 1.823 26047 1925 1 4 . 1 1 102 102 GLU N N 102 128.393 128.393 121.050 7.343 26047 1926 1 4 . 1 1 102 102 GLU HA H 102 5.392 5.392 4.903 0.489 26047 1927 1 4 . 1 1 102 102 GLU C C 102 175.174 175.174 175.094 0.080 26047 1928 1 4 . 1 1 102 102 GLU CA C 102 53.979 53.979 53.853 0.126 26047 1929 1 4 . 1 1 102 102 GLU CB C 102 33.852 33.852 32.803 1.048 26047 1930 1 4 . 1 1 102 102 GLU H H 102 9.285 9.285 8.178 1.107 26047 1931 1 4 . 1 1 103 103 LEU N N 103 128.290 128.290 125.681 2.609 26047 1932 1 4 . 1 1 103 103 LEU HA H 103 4.671 4.671 4.322 0.349 26047 1933 1 4 . 1 1 103 103 LEU C C 103 174.266 174.266 175.865 -1.599 26047 1934 1 4 . 1 1 103 103 LEU CA C 103 54.356 54.356 54.690 -0.334 26047 1935 1 4 . 1 1 103 103 LEU CB C 103 41.465 41.465 40.536 0.929 26047 1936 1 4 . 1 1 103 103 LEU H H 103 8.613 8.613 8.788 -0.175 26047 1937 1 5 . 1 1 -2 -2 PRO HA H -2 4.485 4.485 4.878 -0.393 26047 1938 1 5 . 1 1 -2 -2 PRO C C -2 176.570 176.570 177.167 -0.597 26047 1939 1 5 . 1 1 -2 -2 PRO CA C -2 63.243 63.243 62.291 0.952 26047 1940 1 5 . 1 1 -2 -2 PRO CB C -2 32.290 32.290 34.143 -1.853 26047 1941 1 5 . 1 1 -1 -1 SER N N -1 116.659 116.659 114.498 2.161 26047 1942 1 5 . 1 1 -1 -1 SER HA H -1 4.422 4.422 4.504 -0.082 26047 1943 1 5 . 1 1 -1 -1 SER C C -1 174.384 174.384 174.710 -0.326 26047 1944 1 5 . 1 1 -1 -1 SER CA C -1 58.230 58.230 59.328 -1.098 26047 1945 1 5 . 1 1 -1 -1 SER CB C -1 63.838 63.838 63.699 0.139 26047 1946 1 5 . 1 1 -1 -1 SER H H -1 8.542 8.542 8.357 0.185 26047 1947 1 5 . 1 1 0 0 MET N N 0 122.115 122.115 120.002 2.113 26047 1948 1 5 . 1 1 0 0 MET HA H 0 4.441 4.441 4.609 -0.168 26047 1949 1 5 . 1 1 0 0 MET C C 0 176.182 176.182 176.554 -0.372 26047 1950 1 5 . 1 1 0 0 MET CA C 0 55.346 55.346 54.365 0.981 26047 1951 1 5 . 1 1 0 0 MET CB C 0 33.248 33.248 33.886 -0.638 26047 1952 1 5 . 1 1 0 0 MET H H 0 8.356 8.356 7.790 0.566 26047 1953 1 5 . 1 1 1 1 GLY N N 1 110.724 110.724 108.550 2.174 26047 1954 1 5 . 1 1 1 1 GLY C C 1 172.468 172.468 172.998 -0.530 26047 1955 1 5 . 1 1 1 1 GLY CA C 1 45.585 45.585 44.924 0.661 26047 1956 1 5 . 1 1 1 1 GLY H H 1 8.157 8.157 8.440 -0.283 26047 1957 1 5 . 1 1 2 2 VAL N N 2 117.765 117.765 119.359 -1.594 26047 1958 1 5 . 1 1 2 2 VAL HA H 2 4.889 4.889 5.215 -0.326 26047 1959 1 5 . 1 1 2 2 VAL C C 2 173.396 173.396 174.453 -1.057 26047 1960 1 5 . 1 1 2 2 VAL CA C 2 59.731 59.731 59.339 0.392 26047 1961 1 5 . 1 1 2 2 VAL CB C 2 34.600 34.600 33.412 1.188 26047 1962 1 5 . 1 1 2 2 VAL H H 2 7.471 7.471 7.216 0.255 26047 1963 1 5 . 1 1 3 3 GLN N N 3 126.962 126.962 128.099 -1.137 26047 1964 1 5 . 1 1 3 3 GLN HA H 3 4.686 4.686 4.688 -0.002 26047 1965 1 5 . 1 1 3 3 GLN C C 3 174.658 174.658 174.144 0.514 26047 1966 1 5 . 1 1 3 3 GLN CA C 3 54.379 54.379 53.497 0.882 26047 1967 1 5 . 1 1 3 3 GLN CB C 3 31.669 31.669 31.609 0.060 26047 1968 1 5 . 1 1 3 3 GLN H H 3 8.514 8.514 8.405 0.109 26047 1969 1 5 . 1 1 4 4 VAL N N 4 125.396 125.396 123.566 1.830 26047 1970 1 5 . 1 1 4 4 VAL HA H 4 4.520 4.520 4.344 0.176 26047 1971 1 5 . 1 1 4 4 VAL C C 4 175.411 175.411 175.177 0.234 26047 1972 1 5 . 1 1 4 4 VAL CA C 4 61.993 61.993 61.816 0.177 26047 1973 1 5 . 1 1 4 4 VAL CB C 4 33.355 33.355 34.128 -0.773 26047 1974 1 5 . 1 1 4 4 VAL H H 4 8.823 8.823 8.464 0.359 26047 1975 1 5 . 1 1 5 5 GLU N N 5 128.706 128.706 128.384 0.322 26047 1976 1 5 . 1 1 5 5 GLU HA H 5 4.782 4.782 4.674 0.108 26047 1977 1 5 . 1 1 5 5 GLU C C 5 175.830 175.830 175.715 0.115 26047 1978 1 5 . 1 1 5 5 GLU CA C 5 54.451 54.451 54.584 -0.133 26047 1979 1 5 . 1 1 5 5 GLU CB C 5 32.818 32.818 31.220 1.598 26047 1980 1 5 . 1 1 5 5 GLU H H 5 9.024 9.024 8.657 0.367 26047 1981 1 5 . 1 1 6 6 THR N N 6 124.408 124.408 120.615 3.793 26047 1982 1 5 . 1 1 6 6 THR HA H 6 3.898 3.898 4.201 -0.303 26047 1983 1 5 . 1 1 6 6 THR C C 6 173.675 173.675 174.176 -0.501 26047 1984 1 5 . 1 1 6 6 THR CA C 6 66.715 66.715 63.490 3.225 26047 1985 1 5 . 1 1 6 6 THR CB C 6 68.934 68.934 69.272 -0.338 26047 1986 1 5 . 1 1 6 6 THR H H 6 9.173 9.173 8.689 0.484 26047 1987 1 5 . 1 1 7 7 ILE N N 7 129.476 129.476 127.393 2.083 26047 1988 1 5 . 1 1 7 7 ILE HA H 7 4.071 4.071 4.298 -0.227 26047 1989 1 5 . 1 1 7 7 ILE C C 7 175.768 175.768 176.335 -0.567 26047 1990 1 5 . 1 1 7 7 ILE CA C 7 63.285 63.285 61.934 1.351 26047 1991 1 5 . 1 1 7 7 ILE CB C 7 39.659 39.659 39.477 0.182 26047 1992 1 5 . 1 1 7 7 ILE H H 7 9.329 9.329 9.107 0.222 26047 1993 1 5 . 1 1 8 8 SER N N 8 114.774 114.774 115.730 -0.956 26047 1994 1 5 . 1 1 8 8 SER HA H 8 4.987 4.987 4.953 0.034 26047 1995 1 5 . 1 1 8 8 SER C C 8 171.895 171.895 172.203 -0.308 26047 1996 1 5 . 1 1 8 8 SER CA C 8 55.577 55.577 55.058 0.519 26047 1997 1 5 . 1 1 8 8 SER CB C 8 64.384 64.384 64.818 -0.434 26047 1998 1 5 . 1 1 8 8 SER H H 8 8.300 8.300 8.066 0.234 26047 1999 1 5 . 1 1 9 9 PRO HA H 9 4.331 4.331 4.611 -0.280 26047 2000 1 5 . 1 1 9 9 PRO C C 9 177.628 177.628 176.553 1.075 26047 2001 1 5 . 1 1 9 9 PRO CA C 9 63.646 63.646 62.554 1.092 26047 2002 1 5 . 1 1 9 9 PRO CB C 9 32.910 32.910 32.289 0.621 26047 2003 1 5 . 1 1 10 10 GLY N N 10 107.910 107.910 112.390 -4.480 26047 2004 1 5 . 1 1 10 10 GLY C C 10 174.203 174.203 174.144 0.059 26047 2005 1 5 . 1 1 10 10 GLY CA C 10 44.176 44.176 45.025 -0.849 26047 2006 1 5 . 1 1 10 10 GLY H H 10 8.464 8.464 8.135 0.329 26047 2007 1 5 . 1 1 11 11 ASP N N 11 118.911 118.911 121.411 -2.500 26047 2008 1 5 . 1 1 11 11 ASP HA H 11 4.289 4.289 4.548 -0.259 26047 2009 1 5 . 1 1 11 11 ASP C C 11 178.317 178.317 177.386 0.931 26047 2010 1 5 . 1 1 11 11 ASP CA C 11 54.629 54.629 55.267 -0.638 26047 2011 1 5 . 1 1 11 11 ASP CB C 11 39.382 39.382 41.998 -2.616 26047 2012 1 5 . 1 1 11 11 ASP H H 11 8.049 8.049 7.983 0.066 26047 2013 1 5 . 1 1 12 12 GLY N N 12 108.262 108.262 107.378 0.884 26047 2014 1 5 . 1 1 12 12 GLY C C 12 173.279 173.279 174.432 -1.153 26047 2015 1 5 . 1 1 12 12 GLY CA C 12 46.049 46.049 45.907 0.142 26047 2016 1 5 . 1 1 12 12 GLY H H 12 8.719 8.719 8.108 0.611 26047 2017 1 5 . 1 1 13 13 ARG N N 13 117.671 117.671 116.933 0.738 26047 2018 1 5 . 1 1 13 13 ARG HA H 13 4.709 4.709 4.659 0.050 26047 2019 1 5 . 1 1 13 13 ARG C C 13 175.038 175.038 174.886 0.152 26047 2020 1 5 . 1 1 13 13 ARG CA C 13 56.794 56.794 55.757 1.037 26047 2021 1 5 . 1 1 13 13 ARG CB C 13 34.416 34.416 31.587 2.829 26047 2022 1 5 . 1 1 13 13 ARG H H 13 8.539 8.539 8.034 0.505 26047 2023 1 5 . 1 1 14 14 THR N N 14 125.323 125.323 118.418 6.905 26047 2024 1 5 . 1 1 14 14 THR HA H 14 4.205 4.205 4.636 -0.431 26047 2025 1 5 . 1 1 14 14 THR C C 14 172.353 172.353 172.779 -0.426 26047 2026 1 5 . 1 1 14 14 THR CA C 14 62.060 62.060 61.875 0.185 26047 2027 1 5 . 1 1 14 14 THR CB C 14 66.395 66.395 68.909 -2.514 26047 2028 1 5 . 1 1 14 14 THR H H 14 10.197 10.197 7.625 2.572 26047 2029 1 5 . 1 1 15 15 PHE N N 15 124.865 124.865 126.500 -1.635 26047 2030 1 5 . 1 1 15 15 PHE HA H 15 5.232 5.232 5.128 0.104 26047 2031 1 5 . 1 1 15 15 PHE C C 15 174.388 174.388 174.761 -0.373 26047 2032 1 5 . 1 1 15 15 PHE CA C 15 54.495 54.495 55.202 -0.707 26047 2033 1 5 . 1 1 15 15 PHE CB C 15 39.883 39.883 39.801 0.082 26047 2034 1 5 . 1 1 15 15 PHE H H 15 8.086 8.086 8.646 -0.560 26047 2035 1 5 . 1 1 19 19 GLY N N 19 112.901 112.901 112.480 0.421 26047 2036 1 5 . 1 1 19 19 GLY C C 19 174.204 174.204 173.241 0.963 26047 2037 1 5 . 1 1 19 19 GLY CA C 19 44.943 44.943 44.869 0.074 26047 2038 1 5 . 1 1 19 19 GLY H H 19 8.682 8.682 8.359 0.323 26047 2039 1 5 . 1 1 20 20 GLN N N 20 118.698 118.698 119.526 -0.828 26047 2040 1 5 . 1 1 20 20 GLN HA H 20 4.497 4.497 4.565 -0.068 26047 2041 1 5 . 1 1 20 20 GLN C C 20 174.974 174.974 174.633 0.341 26047 2042 1 5 . 1 1 20 20 GLN CA C 20 56.335 56.335 54.143 2.192 26047 2043 1 5 . 1 1 20 20 GLN CB C 20 30.891 30.891 29.701 1.190 26047 2044 1 5 . 1 1 20 20 GLN H H 20 8.103 8.103 7.738 0.365 26047 2045 1 5 . 1 1 21 21 THR N N 21 119.715 119.715 116.273 3.442 26047 2046 1 5 . 1 1 21 21 THR HA H 21 4.457 4.457 4.749 -0.292 26047 2047 1 5 . 1 1 21 21 THR C C 21 173.797 173.797 174.164 -0.367 26047 2048 1 5 . 1 1 21 21 THR CA C 21 63.067 63.067 62.182 0.885 26047 2049 1 5 . 1 1 21 21 THR CB C 21 68.825 68.825 69.706 -0.881 26047 2050 1 5 . 1 1 21 21 THR H H 21 8.729 8.729 8.502 0.227 26047 2051 1 5 . 1 1 22 22 CYS N N 22 126.008 126.008 124.136 1.872 26047 2052 1 5 . 1 1 22 22 CYS HA H 22 4.269 4.269 4.719 -0.450 26047 2053 1 5 . 1 1 22 22 CYS C C 22 172.458 172.458 173.291 -0.833 26047 2054 1 5 . 1 1 22 22 CYS CA C 22 58.011 58.011 56.684 1.327 26047 2055 1 5 . 1 1 22 22 CYS CB C 22 28.794 28.794 28.855 -0.061 26047 2056 1 5 . 1 1 22 22 CYS H H 22 8.826 8.826 8.519 0.307 26047 2057 1 5 . 1 1 23 23 VAL N N 23 123.456 123.456 130.180 -6.724 26047 2058 1 5 . 1 1 23 23 VAL HA H 23 4.595 4.595 4.360 0.235 26047 2059 1 5 . 1 1 23 23 VAL C C 23 175.899 175.899 174.806 1.093 26047 2060 1 5 . 1 1 23 23 VAL CA C 23 61.411 61.411 62.438 -1.027 26047 2061 1 5 . 1 1 23 23 VAL CB C 23 31.277 31.277 31.576 -0.299 26047 2062 1 5 . 1 1 23 23 VAL H H 23 8.063 8.063 8.773 -0.710 26047 2063 1 5 . 1 1 24 24 VAL N N 24 118.126 118.126 121.233 -3.107 26047 2064 1 5 . 1 1 24 24 VAL HA H 24 5.852 5.852 5.008 0.844 26047 2065 1 5 . 1 1 24 24 VAL C C 24 175.589 175.589 174.227 1.362 26047 2066 1 5 . 1 1 24 24 VAL CA C 24 57.962 57.962 59.287 -1.325 26047 2067 1 5 . 1 1 24 24 VAL CB C 24 35.885 35.885 35.639 0.246 26047 2068 1 5 . 1 1 24 24 VAL H H 24 9.620 9.620 8.833 0.787 26047 2069 1 5 . 1 1 25 25 HIS N N 25 118.824 118.824 123.054 -4.230 26047 2070 1 5 . 1 1 25 25 HIS HA H 25 5.865 5.865 5.067 0.798 26047 2071 1 5 . 1 1 25 25 HIS C C 25 176.663 176.663 174.728 1.935 26047 2072 1 5 . 1 1 25 25 HIS CA C 25 54.463 54.463 55.451 -0.988 26047 2073 1 5 . 1 1 25 25 HIS CB C 25 35.454 35.454 31.726 3.728 26047 2074 1 5 . 1 1 25 25 HIS H H 25 8.579 8.579 8.260 0.319 26047 2075 1 5 . 1 1 26 26 TYR N N 26 118.524 118.524 123.270 -4.746 26047 2076 1 5 . 1 1 26 26 TYR HA H 26 6.441 6.441 5.632 0.809 26047 2077 1 5 . 1 1 26 26 TYR C C 26 173.864 173.864 174.855 -0.991 26047 2078 1 5 . 1 1 26 26 TYR CA C 26 55.934 55.934 55.085 0.849 26047 2079 1 5 . 1 1 26 26 TYR CB C 26 44.380 44.380 41.217 3.163 26047 2080 1 5 . 1 1 26 26 TYR H H 26 9.937 9.937 9.091 0.846 26047 2081 1 5 . 1 1 27 27 THR N N 27 117.098 117.098 115.880 1.218 26047 2082 1 5 . 1 1 27 27 THR HA H 27 4.482 4.482 4.677 -0.195 26047 2083 1 5 . 1 1 27 27 THR C C 27 172.648 172.648 173.694 -1.046 26047 2084 1 5 . 1 1 27 27 THR CA C 27 63.163 63.163 61.927 1.236 26047 2085 1 5 . 1 1 27 27 THR CB C 27 72.324 72.324 70.646 1.678 26047 2086 1 5 . 1 1 27 27 THR H H 27 8.716 8.716 8.634 0.082 26047 2087 1 5 . 1 1 28 28 GLY N N 28 115.590 115.590 113.719 1.871 26047 2088 1 5 . 1 1 28 28 GLY C C 28 171.083 171.083 171.359 -0.276 26047 2089 1 5 . 1 1 28 28 GLY CA C 28 45.419 45.419 43.404 2.015 26047 2090 1 5 . 1 1 28 28 GLY H H 28 9.316 9.316 9.277 0.039 26047 2091 1 5 . 1 1 29 29 MET N N 29 125.723 125.723 124.501 1.222 26047 2092 1 5 . 1 1 29 29 MET HA H 29 5.251 5.251 4.608 0.643 26047 2093 1 5 . 1 1 29 29 MET C C 29 175.508 175.508 175.585 -0.077 26047 2094 1 5 . 1 1 29 29 MET CA C 29 54.221 54.221 54.153 0.068 26047 2095 1 5 . 1 1 29 29 MET CB C 29 37.913 37.913 36.604 1.309 26047 2096 1 5 . 1 1 29 29 MET H H 29 9.192 9.192 8.810 0.382 26047 2097 1 5 . 1 1 30 30 LEU N N 30 119.150 119.150 123.720 -4.570 26047 2098 1 5 . 1 1 30 30 LEU HA H 30 4.772 4.772 4.235 0.537 26047 2099 1 5 . 1 1 30 30 LEU C C 30 179.278 179.278 178.724 0.554 26047 2100 1 5 . 1 1 30 30 LEU CA C 30 54.169 54.169 55.975 -1.806 26047 2101 1 5 . 1 1 30 30 LEU CB C 30 41.634 41.634 42.616 -0.982 26047 2102 1 5 . 1 1 30 30 LEU H H 30 8.433 8.433 8.826 -0.393 26047 2103 1 5 . 1 1 31 31 GLU N N 31 120.636 120.636 121.023 -0.387 26047 2104 1 5 . 1 1 31 31 GLU HA H 31 3.816 3.816 4.008 -0.192 26047 2105 1 5 . 1 1 31 31 GLU C C 31 176.568 176.568 177.395 -0.827 26047 2106 1 5 . 1 1 31 31 GLU CA C 31 59.788 59.788 59.213 0.575 26047 2107 1 5 . 1 1 31 31 GLU CB C 31 29.883 29.883 29.698 0.185 26047 2108 1 5 . 1 1 31 31 GLU H H 31 9.110 9.110 9.015 0.095 26047 2109 1 5 . 1 1 32 32 ASP N N 32 115.429 115.429 115.251 0.178 26047 2110 1 5 . 1 1 32 32 ASP HA H 32 4.420 4.420 4.701 -0.281 26047 2111 1 5 . 1 1 32 32 ASP C C 32 177.209 177.209 176.269 0.940 26047 2112 1 5 . 1 1 32 32 ASP CA C 32 53.556 53.556 54.425 -0.869 26047 2113 1 5 . 1 1 32 32 ASP CB C 32 40.030 40.030 41.546 -1.516 26047 2114 1 5 . 1 1 32 32 ASP H H 32 7.826 7.826 8.298 -0.472 26047 2115 1 5 . 1 1 37 37 ASP N N 37 118.871 118.871 122.136 -3.265 26047 2116 1 5 . 1 1 37 37 ASP HA H 37 4.827 4.827 4.954 -0.127 26047 2117 1 5 . 1 1 37 37 ASP C C 37 174.807 174.807 173.869 0.938 26047 2118 1 5 . 1 1 37 37 ASP CA C 37 54.739 54.739 54.836 -0.097 26047 2119 1 5 . 1 1 37 37 ASP CB C 37 44.386 44.386 44.277 0.109 26047 2120 1 5 . 1 1 37 37 ASP H H 37 6.765 6.765 7.747 -0.982 26047 2121 1 5 . 1 1 38 38 SER N N 38 118.532 118.532 120.706 -2.174 26047 2122 1 5 . 1 1 38 38 SER HA H 38 4.581 4.581 4.918 -0.337 26047 2123 1 5 . 1 1 38 38 SER C C 38 174.967 174.967 175.174 -0.207 26047 2124 1 5 . 1 1 38 38 SER CA C 38 57.033 57.033 57.249 -0.216 26047 2125 1 5 . 1 1 38 38 SER CB C 38 64.862 64.862 65.464 -0.602 26047 2126 1 5 . 1 1 38 38 SER H H 38 8.196 8.196 8.362 -0.166 26047 2127 1 5 . 1 1 39 39 SER N N 39 124.920 124.920 120.358 4.562 26047 2128 1 5 . 1 1 39 39 SER HA H 39 4.131 4.131 4.402 -0.271 26047 2129 1 5 . 1 1 39 39 SER C C 39 177.101 177.101 176.497 0.604 26047 2130 1 5 . 1 1 39 39 SER CA C 39 61.690 61.690 60.365 1.325 26047 2131 1 5 . 1 1 39 39 SER CB C 39 61.632 61.632 63.338 -1.706 26047 2132 1 5 . 1 1 39 39 SER H H 39 7.872 7.872 7.996 -0.124 26047 2133 1 5 . 1 1 40 40 ARG N N 40 124.309 124.309 121.017 3.292 26047 2134 1 5 . 1 1 40 40 ARG HA H 40 3.607 3.607 4.305 -0.698 26047 2135 1 5 . 1 1 40 40 ARG C C 40 179.844 179.844 178.233 1.611 26047 2136 1 5 . 1 1 40 40 ARG CA C 40 58.859 58.859 58.652 0.207 26047 2137 1 5 . 1 1 40 40 ARG CB C 40 28.763 28.763 29.506 -0.743 26047 2138 1 5 . 1 1 40 40 ARG H H 40 7.617 7.617 7.819 -0.202 26047 2139 1 5 . 1 1 41 41 ASP N N 41 118.394 118.394 120.506 -2.112 26047 2140 1 5 . 1 1 41 41 ASP HA H 41 4.314 4.314 4.462 -0.148 26047 2141 1 5 . 1 1 41 41 ASP C C 41 176.750 176.750 177.158 -0.408 26047 2142 1 5 . 1 1 41 41 ASP CA C 41 56.536 56.536 56.962 -0.426 26047 2143 1 5 . 1 1 41 41 ASP CB C 41 40.095 40.095 40.354 -0.259 26047 2144 1 5 . 1 1 41 41 ASP H H 41 7.079 7.079 8.543 -1.464 26047 2145 1 5 . 1 1 42 42 ARG N N 42 115.037 115.037 117.062 -2.025 26047 2146 1 5 . 1 1 42 42 ARG HA H 42 4.431 4.431 4.398 0.033 26047 2147 1 5 . 1 1 42 42 ARG C C 42 175.430 175.430 175.712 -0.282 26047 2148 1 5 . 1 1 42 42 ARG CA C 42 56.099 56.099 55.828 0.272 26047 2149 1 5 . 1 1 42 42 ARG CB C 42 31.577 31.577 30.452 1.125 26047 2150 1 5 . 1 1 42 42 ARG H H 42 6.859 6.859 7.788 -0.929 26047 2151 1 5 . 1 1 49 49 MET N N 49 123.105 123.105 120.363 2.742 26047 2152 1 5 . 1 1 49 49 MET HA H 49 4.681 4.681 4.995 -0.314 26047 2153 1 5 . 1 1 49 49 MET C C 49 176.492 176.492 175.054 1.438 26047 2154 1 5 . 1 1 49 49 MET CA C 49 54.487 54.487 54.582 -0.095 26047 2155 1 5 . 1 1 49 49 MET CB C 49 33.755 33.755 35.395 -1.640 26047 2156 1 5 . 1 1 49 49 MET H H 49 9.261 9.261 8.637 0.624 26047 2157 1 5 . 1 1 50 50 LEU N N 50 131.689 131.689 123.629 8.060 26047 2158 1 5 . 1 1 50 50 LEU HA H 50 4.210 4.210 4.728 -0.518 26047 2159 1 5 . 1 1 50 50 LEU C C 50 177.825 177.825 178.000 -0.175 26047 2160 1 5 . 1 1 50 50 LEU CA C 50 57.249 57.249 54.206 3.043 26047 2161 1 5 . 1 1 50 50 LEU CB C 50 41.752 41.752 41.493 0.259 26047 2162 1 5 . 1 1 50 50 LEU H H 50 8.633 8.633 7.809 0.824 26047 2163 1 5 . 1 1 54 54 GLU N N 54 117.417 117.417 119.692 -2.275 26047 2164 1 5 . 1 1 54 54 GLU HA H 54 4.220 4.220 4.275 -0.055 26047 2165 1 5 . 1 1 54 54 GLU C C 54 176.221 176.221 175.917 0.304 26047 2166 1 5 . 1 1 54 54 GLU CA C 54 57.447 57.447 57.797 -0.350 26047 2167 1 5 . 1 1 54 54 GLU CB C 54 31.200 31.200 30.484 0.716 26047 2168 1 5 . 1 1 54 54 GLU H H 54 9.389 9.389 8.858 0.531 26047 2169 1 5 . 1 1 55 55 VAL N N 55 108.426 108.426 113.358 -4.932 26047 2170 1 5 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.220 0.094 26047 2171 1 5 . 1 1 55 55 VAL C C 55 175.226 175.226 174.578 0.648 26047 2172 1 5 . 1 1 55 55 VAL CA C 55 57.461 57.461 59.416 -1.956 26047 2173 1 5 . 1 1 55 55 VAL CB C 55 35.557 35.557 34.052 1.505 26047 2174 1 5 . 1 1 55 55 VAL H H 55 6.820 6.820 7.273 -0.453 26047 2175 1 5 . 1 1 56 56 ILE N N 56 111.618 111.618 113.817 -2.199 26047 2176 1 5 . 1 1 56 56 ILE HA H 56 3.853 3.853 4.115 -0.262 26047 2177 1 5 . 1 1 56 56 ILE C C 56 177.344 177.344 176.307 1.037 26047 2178 1 5 . 1 1 56 56 ILE CA C 56 61.975 61.975 60.549 1.426 26047 2179 1 5 . 1 1 56 56 ILE CB C 56 38.342 38.342 38.135 0.207 26047 2180 1 5 . 1 1 56 56 ILE H H 56 7.404 7.404 7.396 0.008 26047 2181 1 5 . 1 1 57 57 ARG N N 57 124.436 124.436 123.697 0.739 26047 2182 1 5 . 1 1 57 57 ARG HA H 57 4.063 4.063 4.025 0.038 26047 2183 1 5 . 1 1 57 57 ARG C C 57 179.428 179.428 178.559 0.869 26047 2184 1 5 . 1 1 57 57 ARG CA C 57 59.838 59.838 59.694 0.144 26047 2185 1 5 . 1 1 57 57 ARG CB C 57 30.630 30.630 30.217 0.413 26047 2186 1 5 . 1 1 57 57 ARG H H 57 8.631 8.631 8.482 0.149 26047 2187 1 5 . 1 1 58 58 GLY N N 58 107.151 107.151 105.043 2.108 26047 2188 1 5 . 1 1 58 58 GLY C C 58 175.210 175.210 175.457 -0.247 26047 2189 1 5 . 1 1 58 58 GLY CA C 58 47.621 47.621 46.680 0.941 26047 2190 1 5 . 1 1 58 58 GLY H H 58 9.688 9.688 7.981 1.707 26047 2191 1 5 . 1 1 59 59 TRP N N 59 119.956 119.956 121.414 -1.458 26047 2192 1 5 . 1 1 59 59 TRP HA H 59 4.227 4.227 4.522 -0.295 26047 2193 1 5 . 1 1 59 59 TRP C C 59 177.529 177.529 178.624 -1.095 26047 2194 1 5 . 1 1 59 59 TRP CA C 59 59.681 59.681 58.565 1.116 26047 2195 1 5 . 1 1 59 59 TRP CB C 59 29.092 29.092 29.369 -0.277 26047 2196 1 5 . 1 1 59 59 TRP H H 59 7.534 7.534 7.488 0.046 26047 2197 1 5 . 1 1 60 60 GLU N N 60 118.374 118.374 118.958 -0.584 26047 2198 1 5 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.197 -0.307 26047 2199 1 5 . 1 1 60 60 GLU C C 60 178.377 178.377 179.309 -0.932 26047 2200 1 5 . 1 1 60 60 GLU CA C 60 61.081 61.081 59.968 1.113 26047 2201 1 5 . 1 1 60 60 GLU CB C 60 29.417 29.417 29.519 -0.102 26047 2202 1 5 . 1 1 60 60 GLU H H 60 7.275 7.275 8.025 -0.750 26047 2203 1 5 . 1 1 61 61 GLU N N 61 113.896 113.896 117.784 -3.888 26047 2204 1 5 . 1 1 61 61 GLU HA H 61 4.149 4.149 4.337 -0.188 26047 2205 1 5 . 1 1 61 61 GLU C C 61 179.320 179.320 178.309 1.011 26047 2206 1 5 . 1 1 61 61 GLU CA C 61 58.633 58.633 57.718 0.916 26047 2207 1 5 . 1 1 61 61 GLU CB C 61 29.872 29.872 29.886 -0.014 26047 2208 1 5 . 1 1 61 61 GLU H H 61 8.390 8.390 8.203 0.187 26047 2209 1 5 . 1 1 62 62 GLY N N 62 106.899 106.899 108.283 -1.384 26047 2210 1 5 . 1 1 62 62 GLY C C 62 174.585 174.585 176.106 -1.521 26047 2211 1 5 . 1 1 62 62 GLY CA C 62 47.194 47.194 46.341 0.853 26047 2212 1 5 . 1 1 62 62 GLY H H 62 7.932 7.932 7.754 0.178 26047 2213 1 5 . 1 1 63 63 VAL N N 63 120.730 120.730 122.506 -1.776 26047 2214 1 5 . 1 1 63 63 VAL HA H 63 3.927 3.927 3.871 0.056 26047 2215 1 5 . 1 1 63 63 VAL C C 63 177.334 177.334 177.366 -0.032 26047 2216 1 5 . 1 1 63 63 VAL CA C 63 65.419 65.419 65.339 0.080 26047 2217 1 5 . 1 1 63 63 VAL CB C 63 31.126 31.126 31.583 -0.457 26047 2218 1 5 . 1 1 63 63 VAL H H 63 8.688 8.688 8.608 0.080 26047 2219 1 5 . 1 1 64 64 ALA N N 64 117.132 117.132 120.372 -3.240 26047 2220 1 5 . 1 1 64 64 ALA HA H 64 4.014 4.014 4.314 -0.300 26047 2221 1 5 . 1 1 64 64 ALA C C 64 177.759 177.759 178.139 -0.380 26047 2222 1 5 . 1 1 64 64 ALA CA C 64 54.526 54.526 53.748 0.778 26047 2223 1 5 . 1 1 64 64 ALA CB C 64 18.715 18.715 18.637 0.078 26047 2224 1 5 . 1 1 64 64 ALA H H 64 7.160 7.160 8.174 -1.014 26047 2225 1 5 . 1 1 65 65 GLN N N 65 112.231 112.231 116.333 -4.102 26047 2226 1 5 . 1 1 65 65 GLN HA H 65 4.359 4.359 4.393 -0.034 26047 2227 1 5 . 1 1 65 65 GLN C C 65 175.568 175.568 175.826 -0.258 26047 2228 1 5 . 1 1 65 65 GLN CA C 65 55.459 55.459 55.984 -0.525 26047 2229 1 5 . 1 1 65 65 GLN CB C 65 30.028 30.028 29.512 0.516 26047 2230 1 5 . 1 1 65 65 GLN H H 65 7.143 7.143 7.846 -0.703 26047 2231 1 5 . 1 1 66 66 MET N N 66 122.412 122.412 118.590 3.822 26047 2232 1 5 . 1 1 66 66 MET HA H 66 4.788 4.788 4.797 -0.009 26047 2233 1 5 . 1 1 66 66 MET C C 66 172.467 172.467 174.758 -2.291 26047 2234 1 5 . 1 1 66 66 MET CA C 66 55.118 55.118 54.235 0.883 26047 2235 1 5 . 1 1 66 66 MET CB C 66 35.667 35.667 35.186 0.481 26047 2236 1 5 . 1 1 66 66 MET H H 66 7.965 7.965 7.507 0.458 26047 2237 1 5 . 1 1 67 67 SER N N 67 107.611 107.611 114.246 -6.635 26047 2238 1 5 . 1 1 67 67 SER HA H 67 4.833 4.833 4.475 0.358 26047 2239 1 5 . 1 1 67 67 SER C C 67 176.275 176.275 174.576 1.699 26047 2240 1 5 . 1 1 67 67 SER CA C 67 54.465 54.465 55.792 -1.327 26047 2241 1 5 . 1 1 67 67 SER CB C 67 65.982 65.982 64.959 1.023 26047 2242 1 5 . 1 1 67 67 SER H H 67 8.182 8.182 8.178 0.004 26047 2243 1 5 . 1 1 68 68 VAL N N 68 119.266 119.266 122.103 -2.837 26047 2244 1 5 . 1 1 68 68 VAL HA H 68 3.105 3.105 3.529 -0.424 26047 2245 1 5 . 1 1 68 68 VAL C C 68 176.390 176.390 176.709 -0.319 26047 2246 1 5 . 1 1 68 68 VAL CA C 68 67.074 67.074 65.283 1.791 26047 2247 1 5 . 1 1 68 68 VAL CB C 68 31.503 31.503 29.888 1.615 26047 2248 1 5 . 1 1 68 68 VAL H H 68 7.650 7.650 8.553 -0.903 26047 2249 1 5 . 1 1 69 69 GLY N N 69 116.900 116.900 114.462 2.438 26047 2250 1 5 . 1 1 69 69 GLY C C 69 173.934 173.934 173.744 0.190 26047 2251 1 5 . 1 1 69 69 GLY CA C 69 44.407 44.407 44.904 -0.497 26047 2252 1 5 . 1 1 69 69 GLY H H 69 8.855 8.855 8.766 0.089 26047 2253 1 5 . 1 1 70 70 GLN N N 70 123.210 123.210 120.613 2.597 26047 2254 1 5 . 1 1 70 70 GLN HA H 70 4.035 4.035 4.784 -0.749 26047 2255 1 5 . 1 1 70 70 GLN C C 70 173.663 173.663 174.361 -0.698 26047 2256 1 5 . 1 1 70 70 GLN CA C 70 55.788 55.788 54.678 1.110 26047 2257 1 5 . 1 1 70 70 GLN CB C 70 30.551 30.551 31.541 -0.990 26047 2258 1 5 . 1 1 70 70 GLN H H 70 8.607 8.607 8.019 0.588 26047 2259 1 5 . 1 1 71 71 ARG N N 71 124.586 124.586 125.458 -0.872 26047 2260 1 5 . 1 1 71 71 ARG HA H 71 5.660 5.660 4.863 0.797 26047 2261 1 5 . 1 1 71 71 ARG C C 71 175.582 175.582 173.982 1.600 26047 2262 1 5 . 1 1 71 71 ARG CA C 71 53.936 53.936 54.708 -0.772 26047 2263 1 5 . 1 1 71 71 ARG CB C 71 33.739 33.739 32.563 1.176 26047 2264 1 5 . 1 1 71 71 ARG H H 71 8.802 8.802 8.698 0.104 26047 2265 1 5 . 1 1 75 75 THR N N 75 121.856 121.856 121.481 0.375 26047 2266 1 5 . 1 1 75 75 THR HA H 75 5.052 5.052 4.763 0.289 26047 2267 1 5 . 1 1 75 75 THR C C 75 175.079 175.079 173.497 1.582 26047 2268 1 5 . 1 1 75 75 THR CA C 75 63.355 63.355 62.429 0.926 26047 2269 1 5 . 1 1 75 75 THR CB C 75 68.790 68.790 69.108 -0.317 26047 2270 1 5 . 1 1 75 75 THR H H 75 8.884 8.884 9.033 -0.149 26047 2271 1 5 . 1 1 76 76 ILE N N 76 129.859 129.859 128.203 1.656 26047 2272 1 5 . 1 1 76 76 ILE HA H 76 4.680 4.680 4.613 0.067 26047 2273 1 5 . 1 1 76 76 ILE C C 76 173.943 173.943 175.416 -1.473 26047 2274 1 5 . 1 1 76 76 ILE CA C 76 60.898 60.898 58.489 2.409 26047 2275 1 5 . 1 1 76 76 ILE CB C 76 41.236 41.236 39.562 1.675 26047 2276 1 5 . 1 1 76 76 ILE H H 76 9.864 9.864 8.716 1.148 26047 2277 1 5 . 1 1 77 77 SER N N 77 123.243 123.243 120.159 3.084 26047 2278 1 5 . 1 1 77 77 SER HA H 77 4.732 4.732 5.092 -0.360 26047 2279 1 5 . 1 1 77 77 SER C C 77 173.647 173.647 174.202 -0.555 26047 2280 1 5 . 1 1 77 77 SER CA C 77 57.726 57.726 55.042 2.684 26047 2281 1 5 . 1 1 77 77 SER CB C 77 62.763 62.763 63.694 -0.931 26047 2282 1 5 . 1 1 77 77 SER H H 77 8.612 8.612 8.668 -0.056 26047 2283 1 5 . 1 1 78 78 PRO HA H 78 4.488 4.488 4.373 0.115 26047 2284 1 5 . 1 1 78 78 PRO C C 78 180.133 180.133 177.033 3.100 26047 2285 1 5 . 1 1 78 78 PRO CA C 78 65.828 65.828 65.068 0.760 26047 2286 1 5 . 1 1 78 78 PRO CB C 78 30.995 30.995 32.028 -1.033 26047 2287 1 5 . 1 1 79 79 ASP N N 79 115.934 115.934 115.930 0.004 26047 2288 1 5 . 1 1 79 79 ASP HA H 79 4.390 4.390 4.558 -0.168 26047 2289 1 5 . 1 1 79 79 ASP C C 79 176.810 176.810 177.395 -0.585 26047 2290 1 5 . 1 1 79 79 ASP CA C 79 56.159 56.159 56.544 -0.385 26047 2291 1 5 . 1 1 79 79 ASP CB C 79 39.361 39.361 41.000 -1.639 26047 2292 1 5 . 1 1 79 79 ASP H H 79 8.799 8.799 8.703 0.096 26047 2293 1 5 . 1 1 80 80 TYR N N 80 120.969 120.969 118.873 2.096 26047 2294 1 5 . 1 1 80 80 TYR HA H 80 4.377 4.377 4.464 -0.087 26047 2295 1 5 . 1 1 80 80 TYR C C 80 173.332 173.332 176.592 -3.260 26047 2296 1 5 . 1 1 80 80 TYR CA C 80 57.597 57.597 59.648 -2.051 26047 2297 1 5 . 1 1 80 80 TYR CB C 80 38.903 38.903 39.590 -0.687 26047 2298 1 5 . 1 1 80 80 TYR H H 80 8.116 8.116 7.775 0.341 26047 2299 1 5 . 1 1 81 81 ALA N N 81 125.669 125.669 122.990 2.679 26047 2300 1 5 . 1 1 81 81 ALA HA H 81 4.421 4.421 4.008 0.413 26047 2301 1 5 . 1 1 81 81 ALA C C 81 175.888 175.888 177.345 -1.457 26047 2302 1 5 . 1 1 81 81 ALA CA C 81 51.701 51.701 54.566 -2.865 26047 2303 1 5 . 1 1 81 81 ALA CB C 81 19.334 19.334 19.166 0.168 26047 2304 1 5 . 1 1 81 81 ALA H H 81 7.801 7.801 8.380 -0.579 26047 2305 1 5 . 1 1 82 82 TYR N N 82 122.080 122.080 114.702 7.378 26047 2306 1 5 . 1 1 82 82 TYR HA H 82 4.566 4.566 4.581 -0.015 26047 2307 1 5 . 1 1 82 82 TYR C C 82 176.653 176.653 176.465 0.188 26047 2308 1 5 . 1 1 82 82 TYR CA C 82 58.865 58.865 58.356 0.509 26047 2309 1 5 . 1 1 82 82 TYR CB C 82 37.995 37.995 41.830 -3.835 26047 2310 1 5 . 1 1 82 82 TYR H H 82 9.321 9.321 7.603 1.718 26047 2311 1 5 . 1 1 83 83 GLY N N 83 108.394 108.394 106.607 1.787 26047 2312 1 5 . 1 1 83 83 GLY C C 83 175.214 175.214 172.773 2.441 26047 2313 1 5 . 1 1 83 83 GLY CA C 83 46.827 46.827 45.324 1.503 26047 2314 1 5 . 1 1 83 83 GLY H H 83 8.535 8.535 7.936 0.599 26047 2315 1 5 . 1 1 84 84 ALA HA H 84 3.273 3.273 4.256 -0.983 26047 2316 1 5 . 1 1 84 84 ALA C C 84 177.536 177.536 177.712 -0.176 26047 2317 1 5 . 1 1 84 84 ALA CA C 84 53.514 53.514 53.581 -0.067 26047 2318 1 5 . 1 1 84 84 ALA CB C 84 19.318 19.318 19.112 0.206 26047 2319 1 5 . 1 1 85 85 THR N N 85 109.341 109.341 113.372 -4.031 26047 2320 1 5 . 1 1 85 85 THR HA H 85 4.038 4.038 4.238 -0.200 26047 2321 1 5 . 1 1 85 85 THR C C 85 177.149 177.149 175.446 1.703 26047 2322 1 5 . 1 1 85 85 THR CA C 85 64.040 64.040 62.517 1.523 26047 2323 1 5 . 1 1 85 85 THR CB C 85 69.466 69.466 69.594 -0.128 26047 2324 1 5 . 1 1 85 85 THR H H 85 7.927 7.927 7.985 -0.058 26047 2325 1 5 . 1 1 86 86 GLY N N 86 106.961 106.961 109.249 -2.288 26047 2326 1 5 . 1 1 86 86 GLY C C 86 171.567 171.567 172.992 -1.425 26047 2327 1 5 . 1 1 86 86 GLY CA C 86 45.151 45.151 44.593 0.558 26047 2328 1 5 . 1 1 86 86 GLY H H 86 7.341 7.341 7.718 -0.377 26047 2329 1 5 . 1 1 87 87 HIS N N 87 121.870 121.870 120.473 1.397 26047 2330 1 5 . 1 1 87 87 HIS HA H 87 4.967 4.967 4.658 0.309 26047 2331 1 5 . 1 1 87 87 HIS C C 87 172.750 172.750 173.648 -0.898 26047 2332 1 5 . 1 1 87 87 HIS CA C 87 53.029 53.029 52.634 0.395 26047 2333 1 5 . 1 1 87 87 HIS CB C 87 32.349 32.349 30.670 1.679 26047 2334 1 5 . 1 1 87 87 HIS H H 87 8.799 8.799 8.043 0.756 26047 2335 1 5 . 1 1 88 88 PRO HA H 88 4.132 4.132 4.298 -0.166 26047 2336 1 5 . 1 1 88 88 PRO C C 88 176.585 176.585 177.400 -0.815 26047 2337 1 5 . 1 1 88 88 PRO CA C 88 65.123 65.123 63.673 1.450 26047 2338 1 5 . 1 1 88 88 PRO CB C 88 31.851 31.851 31.715 0.136 26047 2339 1 5 . 1 1 89 89 GLY N N 89 113.445 113.445 113.345 0.100 26047 2340 1 5 . 1 1 89 89 GLY C C 89 174.030 174.030 174.743 -0.713 26047 2341 1 5 . 1 1 89 89 GLY CA C 89 45.251 45.251 45.134 0.117 26047 2342 1 5 . 1 1 89 89 GLY H H 89 8.571 8.571 8.694 -0.123 26047 2343 1 5 . 1 1 90 90 ILE N N 90 118.128 118.128 121.161 -3.033 26047 2344 1 5 . 1 1 90 90 ILE HA H 90 4.252 4.252 4.212 0.040 26047 2345 1 5 . 1 1 90 90 ILE C C 90 174.403 174.403 175.911 -1.508 26047 2346 1 5 . 1 1 90 90 ILE CA C 90 62.855 62.855 62.565 0.290 26047 2347 1 5 . 1 1 90 90 ILE CB C 90 41.565 41.565 38.968 2.597 26047 2348 1 5 . 1 1 90 90 ILE H H 90 8.103 8.103 7.642 0.461 26047 2349 1 5 . 1 1 91 91 ILE N N 91 119.444 119.444 120.342 -0.898 26047 2350 1 5 . 1 1 91 91 ILE HA H 91 4.506 4.506 4.332 0.174 26047 2351 1 5 . 1 1 91 91 ILE C C 91 174.345 174.345 173.826 0.519 26047 2352 1 5 . 1 1 91 91 ILE CA C 91 56.335 56.335 56.988 -0.653 26047 2353 1 5 . 1 1 91 91 ILE CB C 91 40.719 40.719 36.717 4.002 26047 2354 1 5 . 1 1 91 91 ILE H H 91 8.241 8.241 7.539 0.702 26047 2355 1 5 . 1 1 92 92 PRO HA H 92 4.717 4.717 4.691 0.026 26047 2356 1 5 . 1 1 92 92 PRO CB C 92 31.011 31.011 31.367 -0.356 26047 2357 1 5 . 1 1 93 93 PRO HA H 93 3.617 3.617 4.342 -0.725 26047 2358 1 5 . 1 1 93 93 PRO C C 93 175.714 175.714 176.671 -0.957 26047 2359 1 5 . 1 1 93 93 PRO CA C 93 63.618 63.618 63.219 0.399 26047 2360 1 5 . 1 1 93 93 PRO CB C 93 33.171 33.171 32.436 0.735 26047 2361 1 5 . 1 1 94 94 HIS N N 94 115.851 115.851 115.322 0.529 26047 2362 1 5 . 1 1 94 94 HIS HA H 94 3.804 3.804 4.230 -0.426 26047 2363 1 5 . 1 1 94 94 HIS C C 94 173.821 173.821 173.870 -0.049 26047 2364 1 5 . 1 1 94 94 HIS CA C 94 57.145 57.145 57.153 -0.008 26047 2365 1 5 . 1 1 94 94 HIS CB C 94 27.977 27.977 28.072 -0.095 26047 2366 1 5 . 1 1 94 94 HIS H H 94 7.934 7.934 8.280 -0.346 26047 2367 1 5 . 1 1 95 95 ALA N N 95 122.072 122.072 120.966 1.106 26047 2368 1 5 . 1 1 95 95 ALA HA H 95 4.459 4.459 4.643 -0.184 26047 2369 1 5 . 1 1 95 95 ALA C C 95 177.246 177.246 175.574 1.672 26047 2370 1 5 . 1 1 95 95 ALA CA C 95 52.728 52.728 50.833 1.895 26047 2371 1 5 . 1 1 95 95 ALA CB C 95 20.567 20.567 21.724 -1.157 26047 2372 1 5 . 1 1 95 95 ALA H H 95 7.706 7.706 7.724 -0.018 26047 2373 1 5 . 1 1 96 96 THR N N 96 122.875 122.875 119.113 3.762 26047 2374 1 5 . 1 1 96 96 THR HA H 96 4.650 4.650 4.405 0.245 26047 2375 1 5 . 1 1 96 96 THR C C 96 173.818 173.818 173.936 -0.118 26047 2376 1 5 . 1 1 96 96 THR CA C 96 63.778 63.778 63.639 0.139 26047 2377 1 5 . 1 1 96 96 THR CB C 96 69.588 69.588 69.628 -0.040 26047 2378 1 5 . 1 1 96 96 THR H H 96 8.448 8.448 8.230 0.218 26047 2379 1 5 . 1 1 97 97 LEU N N 97 124.809 124.809 124.378 0.431 26047 2380 1 5 . 1 1 97 97 LEU HA H 97 5.110 5.110 4.697 0.413 26047 2381 1 5 . 1 1 97 97 LEU C C 97 175.041 175.041 175.329 -0.288 26047 2382 1 5 . 1 1 97 97 LEU CA C 97 52.832 52.832 53.968 -1.136 26047 2383 1 5 . 1 1 97 97 LEU CB C 97 46.391 46.391 45.268 1.123 26047 2384 1 5 . 1 1 97 97 LEU H H 97 8.725 8.725 9.012 -0.287 26047 2385 1 5 . 1 1 98 98 VAL N N 98 121.081 121.081 118.903 2.178 26047 2386 1 5 . 1 1 98 98 VAL HA H 98 5.215 5.215 4.534 0.681 26047 2387 1 5 . 1 1 98 98 VAL C C 98 175.150 175.150 174.446 0.704 26047 2388 1 5 . 1 1 98 98 VAL CA C 98 60.662 60.662 61.150 -0.488 26047 2389 1 5 . 1 1 98 98 VAL CB C 98 34.355 34.355 33.593 0.762 26047 2390 1 5 . 1 1 98 98 VAL H H 98 8.692 8.692 8.591 0.101 26047 2391 1 5 . 1 1 99 99 PHE N N 99 123.638 123.638 125.533 -1.895 26047 2392 1 5 . 1 1 99 99 PHE HA H 99 5.754 5.754 5.547 0.207 26047 2393 1 5 . 1 1 99 99 PHE C C 99 174.328 174.328 174.076 0.252 26047 2394 1 5 . 1 1 99 99 PHE CA C 99 55.196 55.196 56.597 -1.401 26047 2395 1 5 . 1 1 99 99 PHE CB C 99 43.396 43.396 43.550 -0.154 26047 2396 1 5 . 1 1 99 99 PHE H H 99 9.724 9.724 9.334 0.390 26047 2397 1 5 . 1 1 100 100 ASP N N 100 124.358 124.358 124.492 -0.134 26047 2398 1 5 . 1 1 100 100 ASP HA H 100 5.164 5.164 5.067 0.097 26047 2399 1 5 . 1 1 100 100 ASP C C 100 176.946 176.946 175.311 1.635 26047 2400 1 5 . 1 1 100 100 ASP CA C 100 52.778 52.778 53.190 -0.412 26047 2401 1 5 . 1 1 100 100 ASP CB C 100 42.320 42.320 43.240 -0.920 26047 2402 1 5 . 1 1 100 100 ASP H H 100 8.775 8.775 8.545 0.230 26047 2403 1 5 . 1 1 101 101 VAL N N 101 126.428 126.428 119.754 6.674 26047 2404 1 5 . 1 1 101 101 VAL HA H 101 5.057 5.057 5.449 -0.392 26047 2405 1 5 . 1 1 101 101 VAL C C 101 172.620 172.620 174.029 -1.409 26047 2406 1 5 . 1 1 101 101 VAL CA C 101 61.041 61.041 59.128 1.913 26047 2407 1 5 . 1 1 101 101 VAL CB C 101 35.481 35.481 34.513 0.968 26047 2408 1 5 . 1 1 101 101 VAL H H 101 9.513 9.513 7.714 1.799 26047 2409 1 5 . 1 1 102 102 GLU N N 102 128.393 128.393 120.358 8.035 26047 2410 1 5 . 1 1 102 102 GLU HA H 102 5.392 5.392 4.951 0.441 26047 2411 1 5 . 1 1 102 102 GLU C C 102 175.174 175.174 175.096 0.078 26047 2412 1 5 . 1 1 102 102 GLU CA C 102 53.979 53.979 53.721 0.258 26047 2413 1 5 . 1 1 102 102 GLU CB C 102 33.852 33.852 32.476 1.376 26047 2414 1 5 . 1 1 102 102 GLU H H 102 9.285 9.285 8.154 1.131 26047 2415 1 5 . 1 1 103 103 LEU N N 103 128.290 128.290 126.647 1.643 26047 2416 1 5 . 1 1 103 103 LEU HA H 103 4.671 4.671 4.253 0.418 26047 2417 1 5 . 1 1 103 103 LEU C C 103 174.266 174.266 175.968 -1.702 26047 2418 1 5 . 1 1 103 103 LEU CA C 103 54.356 54.356 55.284 -0.928 26047 2419 1 5 . 1 1 103 103 LEU CB C 103 41.465 41.465 41.892 -0.427 26047 2420 1 5 . 1 1 103 103 LEU H H 103 8.613 8.613 8.697 -0.084 26047 2421 1 6 . 1 1 -2 -2 PRO HA H -2 4.485 4.485 4.666 -0.181 26047 2422 1 6 . 1 1 -2 -2 PRO C C -2 176.570 176.570 176.932 -0.362 26047 2423 1 6 . 1 1 -2 -2 PRO CA C -2 63.243 63.243 62.556 0.687 26047 2424 1 6 . 1 1 -2 -2 PRO CB C -2 32.290 32.290 32.546 -0.256 26047 2425 1 6 . 1 1 -1 -1 SER N N -1 116.659 116.659 115.698 0.961 26047 2426 1 6 . 1 1 -1 -1 SER HA H -1 4.422 4.422 4.266 0.156 26047 2427 1 6 . 1 1 -1 -1 SER C C -1 174.384 174.384 173.769 0.615 26047 2428 1 6 . 1 1 -1 -1 SER CA C -1 58.230 58.230 58.257 -0.027 26047 2429 1 6 . 1 1 -1 -1 SER CB C -1 63.838 63.838 63.806 0.033 26047 2430 1 6 . 1 1 -1 -1 SER H H -1 8.542 8.542 8.316 0.226 26047 2431 1 6 . 1 1 0 0 MET N N 0 122.115 122.115 121.218 0.897 26047 2432 1 6 . 1 1 0 0 MET HA H 0 4.441 4.441 4.718 -0.277 26047 2433 1 6 . 1 1 0 0 MET C C 0 176.182 176.182 177.090 -0.908 26047 2434 1 6 . 1 1 0 0 MET CA C 0 55.346 55.346 55.000 0.346 26047 2435 1 6 . 1 1 0 0 MET CB C 0 33.248 33.248 33.832 -0.584 26047 2436 1 6 . 1 1 0 0 MET H H 0 8.356 8.356 8.402 -0.046 26047 2437 1 6 . 1 1 1 1 GLY N N 1 110.724 110.724 110.775 -0.051 26047 2438 1 6 . 1 1 1 1 GLY C C 1 172.468 172.468 172.645 -0.177 26047 2439 1 6 . 1 1 1 1 GLY CA C 1 45.585 45.585 44.813 0.772 26047 2440 1 6 . 1 1 1 1 GLY H H 1 8.157 8.157 7.761 0.396 26047 2441 1 6 . 1 1 2 2 VAL N N 2 117.765 117.765 119.567 -1.802 26047 2442 1 6 . 1 1 2 2 VAL HA H 2 4.889 4.889 5.142 -0.253 26047 2443 1 6 . 1 1 2 2 VAL C C 2 173.396 173.396 173.944 -0.548 26047 2444 1 6 . 1 1 2 2 VAL CA C 2 59.731 59.731 60.228 -0.497 26047 2445 1 6 . 1 1 2 2 VAL CB C 2 34.600 34.600 33.952 0.648 26047 2446 1 6 . 1 1 2 2 VAL H H 2 7.471 7.471 7.253 0.218 26047 2447 1 6 . 1 1 3 3 GLN N N 3 126.962 126.962 128.879 -1.917 26047 2448 1 6 . 1 1 3 3 GLN HA H 3 4.686 4.686 4.647 0.039 26047 2449 1 6 . 1 1 3 3 GLN C C 3 174.658 174.658 174.090 0.568 26047 2450 1 6 . 1 1 3 3 GLN CA C 3 54.379 54.379 54.873 -0.494 26047 2451 1 6 . 1 1 3 3 GLN CB C 3 31.669 31.669 31.036 0.633 26047 2452 1 6 . 1 1 3 3 GLN H H 3 8.514 8.514 8.151 0.363 26047 2453 1 6 . 1 1 4 4 VAL N N 4 125.396 125.396 123.889 1.507 26047 2454 1 6 . 1 1 4 4 VAL HA H 4 4.520 4.520 4.343 0.177 26047 2455 1 6 . 1 1 4 4 VAL C C 4 175.411 175.411 175.025 0.386 26047 2456 1 6 . 1 1 4 4 VAL CA C 4 61.993 61.993 61.078 0.915 26047 2457 1 6 . 1 1 4 4 VAL CB C 4 33.355 33.355 34.342 -0.987 26047 2458 1 6 . 1 1 4 4 VAL H H 4 8.823 8.823 8.550 0.273 26047 2459 1 6 . 1 1 5 5 GLU N N 5 128.706 128.706 129.022 -0.316 26047 2460 1 6 . 1 1 5 5 GLU HA H 5 4.782 4.782 4.656 0.126 26047 2461 1 6 . 1 1 5 5 GLU C C 5 175.830 175.830 175.443 0.387 26047 2462 1 6 . 1 1 5 5 GLU CA C 5 54.451 54.451 54.577 -0.126 26047 2463 1 6 . 1 1 5 5 GLU CB C 5 32.818 32.818 31.683 1.135 26047 2464 1 6 . 1 1 5 5 GLU H H 5 9.024 9.024 8.567 0.457 26047 2465 1 6 . 1 1 6 6 THR N N 6 124.408 124.408 120.001 4.407 26047 2466 1 6 . 1 1 6 6 THR HA H 6 3.898 3.898 4.239 -0.341 26047 2467 1 6 . 1 1 6 6 THR C C 6 173.675 173.675 174.169 -0.494 26047 2468 1 6 . 1 1 6 6 THR CA C 6 66.715 66.715 63.748 2.967 26047 2469 1 6 . 1 1 6 6 THR CB C 6 68.934 68.934 69.183 -0.249 26047 2470 1 6 . 1 1 6 6 THR H H 6 9.173 9.173 8.683 0.490 26047 2471 1 6 . 1 1 7 7 ILE N N 7 129.476 129.476 126.972 2.504 26047 2472 1 6 . 1 1 7 7 ILE HA H 7 4.071 4.071 4.306 -0.235 26047 2473 1 6 . 1 1 7 7 ILE C C 7 175.768 175.768 176.390 -0.622 26047 2474 1 6 . 1 1 7 7 ILE CA C 7 63.285 63.285 61.948 1.337 26047 2475 1 6 . 1 1 7 7 ILE CB C 7 39.659 39.659 39.310 0.349 26047 2476 1 6 . 1 1 7 7 ILE H H 7 9.329 9.329 9.076 0.253 26047 2477 1 6 . 1 1 8 8 SER N N 8 114.774 114.774 115.530 -0.756 26047 2478 1 6 . 1 1 8 8 SER HA H 8 4.987 4.987 4.966 0.021 26047 2479 1 6 . 1 1 8 8 SER C C 8 171.895 171.895 172.124 -0.229 26047 2480 1 6 . 1 1 8 8 SER CA C 8 55.577 55.577 54.707 0.870 26047 2481 1 6 . 1 1 8 8 SER CB C 8 64.384 64.384 64.670 -0.286 26047 2482 1 6 . 1 1 8 8 SER H H 8 8.300 8.300 7.997 0.303 26047 2483 1 6 . 1 1 9 9 PRO HA H 9 4.331 4.331 4.599 -0.268 26047 2484 1 6 . 1 1 9 9 PRO C C 9 177.628 177.628 176.746 0.882 26047 2485 1 6 . 1 1 9 9 PRO CA C 9 63.646 63.646 62.419 1.227 26047 2486 1 6 . 1 1 9 9 PRO CB C 9 32.910 32.910 32.786 0.124 26047 2487 1 6 . 1 1 10 10 GLY N N 10 107.910 107.910 112.400 -4.490 26047 2488 1 6 . 1 1 10 10 GLY C C 10 174.203 174.203 174.106 0.097 26047 2489 1 6 . 1 1 10 10 GLY CA C 10 44.176 44.176 45.080 -0.904 26047 2490 1 6 . 1 1 10 10 GLY H H 10 8.464 8.464 8.132 0.332 26047 2491 1 6 . 1 1 11 11 ASP N N 11 118.911 118.911 121.376 -2.465 26047 2492 1 6 . 1 1 11 11 ASP HA H 11 4.289 4.289 4.551 -0.262 26047 2493 1 6 . 1 1 11 11 ASP C C 11 178.317 178.317 177.333 0.984 26047 2494 1 6 . 1 1 11 11 ASP CA C 11 54.629 54.629 55.259 -0.630 26047 2495 1 6 . 1 1 11 11 ASP CB C 11 39.382 39.382 42.123 -2.741 26047 2496 1 6 . 1 1 11 11 ASP H H 11 8.049 8.049 8.048 0.001 26047 2497 1 6 . 1 1 12 12 GLY N N 12 108.262 108.262 107.401 0.861 26047 2498 1 6 . 1 1 12 12 GLY C C 12 173.279 173.279 174.394 -1.115 26047 2499 1 6 . 1 1 12 12 GLY CA C 12 46.049 46.049 45.877 0.172 26047 2500 1 6 . 1 1 12 12 GLY H H 12 8.719 8.719 8.104 0.615 26047 2501 1 6 . 1 1 13 13 ARG N N 13 117.671 117.671 116.719 0.952 26047 2502 1 6 . 1 1 13 13 ARG HA H 13 4.709 4.709 4.647 0.062 26047 2503 1 6 . 1 1 13 13 ARG C C 13 175.038 175.038 175.038 0.000 26047 2504 1 6 . 1 1 13 13 ARG CA C 13 56.794 56.794 55.657 1.137 26047 2505 1 6 . 1 1 13 13 ARG CB C 13 34.416 34.416 31.479 2.937 26047 2506 1 6 . 1 1 13 13 ARG H H 13 8.539 8.539 8.028 0.511 26047 2507 1 6 . 1 1 14 14 THR N N 14 125.323 125.323 118.444 6.879 26047 2508 1 6 . 1 1 14 14 THR HA H 14 4.205 4.205 4.584 -0.379 26047 2509 1 6 . 1 1 14 14 THR C C 14 172.353 172.353 172.920 -0.567 26047 2510 1 6 . 1 1 14 14 THR CA C 14 62.060 62.060 61.026 1.034 26047 2511 1 6 . 1 1 14 14 THR CB C 14 66.395 66.395 69.353 -2.958 26047 2512 1 6 . 1 1 14 14 THR H H 14 10.197 10.197 7.578 2.619 26047 2513 1 6 . 1 1 15 15 PHE N N 15 124.865 124.865 126.145 -1.280 26047 2514 1 6 . 1 1 15 15 PHE HA H 15 5.232 5.232 5.202 0.030 26047 2515 1 6 . 1 1 15 15 PHE C C 15 174.388 174.388 174.768 -0.380 26047 2516 1 6 . 1 1 15 15 PHE CA C 15 54.495 54.495 54.939 -0.444 26047 2517 1 6 . 1 1 15 15 PHE CB C 15 39.883 39.883 39.175 0.708 26047 2518 1 6 . 1 1 15 15 PHE H H 15 8.086 8.086 8.737 -0.651 26047 2519 1 6 . 1 1 19 19 GLY N N 19 112.901 112.901 112.545 0.356 26047 2520 1 6 . 1 1 19 19 GLY C C 19 174.204 174.204 173.268 0.936 26047 2521 1 6 . 1 1 19 19 GLY CA C 19 44.943 44.943 44.885 0.058 26047 2522 1 6 . 1 1 19 19 GLY H H 19 8.682 8.682 8.365 0.317 26047 2523 1 6 . 1 1 20 20 GLN N N 20 118.698 118.698 120.078 -1.380 26047 2524 1 6 . 1 1 20 20 GLN HA H 20 4.497 4.497 4.618 -0.121 26047 2525 1 6 . 1 1 20 20 GLN C C 20 174.974 174.974 174.584 0.390 26047 2526 1 6 . 1 1 20 20 GLN CA C 20 56.335 56.335 54.285 2.050 26047 2527 1 6 . 1 1 20 20 GLN CB C 20 30.891 30.891 29.489 1.402 26047 2528 1 6 . 1 1 20 20 GLN H H 20 8.103 8.103 7.976 0.127 26047 2529 1 6 . 1 1 21 21 THR N N 21 119.715 119.715 116.017 3.698 26047 2530 1 6 . 1 1 21 21 THR HA H 21 4.457 4.457 4.692 -0.235 26047 2531 1 6 . 1 1 21 21 THR C C 21 173.797 173.797 174.180 -0.383 26047 2532 1 6 . 1 1 21 21 THR CA C 21 63.067 63.067 62.243 0.824 26047 2533 1 6 . 1 1 21 21 THR CB C 21 68.825 68.825 69.663 -0.838 26047 2534 1 6 . 1 1 21 21 THR H H 21 8.729 8.729 8.416 0.313 26047 2535 1 6 . 1 1 22 22 CYS N N 22 126.008 126.008 124.979 1.029 26047 2536 1 6 . 1 1 22 22 CYS HA H 22 4.269 4.269 4.689 -0.420 26047 2537 1 6 . 1 1 22 22 CYS C C 22 172.458 172.458 173.091 -0.633 26047 2538 1 6 . 1 1 22 22 CYS CA C 22 58.011 58.011 57.374 0.637 26047 2539 1 6 . 1 1 22 22 CYS CB C 22 28.794 28.794 28.861 -0.067 26047 2540 1 6 . 1 1 22 22 CYS H H 22 8.826 8.826 8.431 0.395 26047 2541 1 6 . 1 1 23 23 VAL N N 23 123.456 123.456 129.465 -6.009 26047 2542 1 6 . 1 1 23 23 VAL HA H 23 4.595 4.595 4.344 0.251 26047 2543 1 6 . 1 1 23 23 VAL C C 23 175.899 175.899 174.834 1.065 26047 2544 1 6 . 1 1 23 23 VAL CA C 23 61.411 61.411 62.784 -1.373 26047 2545 1 6 . 1 1 23 23 VAL CB C 23 31.277 31.277 31.382 -0.105 26047 2546 1 6 . 1 1 23 23 VAL H H 23 8.063 8.063 8.788 -0.725 26047 2547 1 6 . 1 1 24 24 VAL N N 24 118.126 118.126 120.730 -2.604 26047 2548 1 6 . 1 1 24 24 VAL HA H 24 5.852 5.852 4.968 0.884 26047 2549 1 6 . 1 1 24 24 VAL C C 24 175.589 175.589 174.451 1.138 26047 2550 1 6 . 1 1 24 24 VAL CA C 24 57.962 57.962 59.768 -1.806 26047 2551 1 6 . 1 1 24 24 VAL CB C 24 35.885 35.885 36.418 -0.533 26047 2552 1 6 . 1 1 24 24 VAL H H 24 9.620 9.620 8.838 0.782 26047 2553 1 6 . 1 1 25 25 HIS N N 25 118.824 118.824 122.097 -3.273 26047 2554 1 6 . 1 1 25 25 HIS HA H 25 5.865 5.865 5.103 0.762 26047 2555 1 6 . 1 1 25 25 HIS C C 25 176.663 176.663 174.785 1.878 26047 2556 1 6 . 1 1 25 25 HIS CA C 25 54.463 54.463 55.704 -1.241 26047 2557 1 6 . 1 1 25 25 HIS CB C 25 35.454 35.454 31.523 3.930 26047 2558 1 6 . 1 1 25 25 HIS H H 25 8.579 8.579 8.337 0.242 26047 2559 1 6 . 1 1 26 26 TYR N N 26 118.524 118.524 123.391 -4.867 26047 2560 1 6 . 1 1 26 26 TYR HA H 26 6.441 6.441 5.619 0.822 26047 2561 1 6 . 1 1 26 26 TYR C C 26 173.864 173.864 175.056 -1.192 26047 2562 1 6 . 1 1 26 26 TYR CA C 26 55.934 55.934 55.139 0.795 26047 2563 1 6 . 1 1 26 26 TYR CB C 26 44.380 44.380 41.215 3.165 26047 2564 1 6 . 1 1 26 26 TYR H H 26 9.937 9.937 9.028 0.909 26047 2565 1 6 . 1 1 27 27 THR N N 27 117.098 117.098 116.045 1.053 26047 2566 1 6 . 1 1 27 27 THR HA H 27 4.482 4.482 4.675 -0.193 26047 2567 1 6 . 1 1 27 27 THR C C 27 172.648 172.648 173.494 -0.846 26047 2568 1 6 . 1 1 27 27 THR CA C 27 63.163 63.163 61.951 1.212 26047 2569 1 6 . 1 1 27 27 THR CB C 27 72.324 72.324 70.682 1.642 26047 2570 1 6 . 1 1 27 27 THR H H 27 8.716 8.716 8.637 0.079 26047 2571 1 6 . 1 1 28 28 GLY N N 28 115.590 115.590 113.483 2.107 26047 2572 1 6 . 1 1 28 28 GLY C C 28 171.083 171.083 171.338 -0.255 26047 2573 1 6 . 1 1 28 28 GLY CA C 28 45.419 45.419 43.262 2.157 26047 2574 1 6 . 1 1 28 28 GLY H H 28 9.316 9.316 9.313 0.003 26047 2575 1 6 . 1 1 29 29 MET N N 29 125.723 125.723 124.553 1.170 26047 2576 1 6 . 1 1 29 29 MET HA H 29 5.251 5.251 4.623 0.628 26047 2577 1 6 . 1 1 29 29 MET C C 29 175.508 175.508 175.569 -0.061 26047 2578 1 6 . 1 1 29 29 MET CA C 29 54.221 54.221 54.158 0.063 26047 2579 1 6 . 1 1 29 29 MET CB C 29 37.913 37.913 36.590 1.323 26047 2580 1 6 . 1 1 29 29 MET H H 29 9.192 9.192 8.801 0.391 26047 2581 1 6 . 1 1 30 30 LEU N N 30 119.150 119.150 123.622 -4.472 26047 2582 1 6 . 1 1 30 30 LEU HA H 30 4.772 4.772 4.253 0.519 26047 2583 1 6 . 1 1 30 30 LEU C C 30 179.278 179.278 178.722 0.556 26047 2584 1 6 . 1 1 30 30 LEU CA C 30 54.169 54.169 55.903 -1.734 26047 2585 1 6 . 1 1 30 30 LEU CB C 30 41.634 41.634 42.647 -1.013 26047 2586 1 6 . 1 1 30 30 LEU H H 30 8.433 8.433 8.810 -0.377 26047 2587 1 6 . 1 1 31 31 GLU N N 31 120.636 120.636 120.931 -0.295 26047 2588 1 6 . 1 1 31 31 GLU HA H 31 3.816 3.816 4.015 -0.199 26047 2589 1 6 . 1 1 31 31 GLU C C 31 176.568 176.568 177.441 -0.873 26047 2590 1 6 . 1 1 31 31 GLU CA C 31 59.788 59.788 59.291 0.497 26047 2591 1 6 . 1 1 31 31 GLU CB C 31 29.883 29.883 29.743 0.140 26047 2592 1 6 . 1 1 31 31 GLU H H 31 9.110 9.110 9.111 -0.001 26047 2593 1 6 . 1 1 32 32 ASP N N 32 115.429 115.429 115.486 -0.057 26047 2594 1 6 . 1 1 32 32 ASP HA H 32 4.420 4.420 4.720 -0.300 26047 2595 1 6 . 1 1 32 32 ASP C C 32 177.209 177.209 175.891 1.318 26047 2596 1 6 . 1 1 32 32 ASP CA C 32 53.556 53.556 54.281 -0.725 26047 2597 1 6 . 1 1 32 32 ASP CB C 32 40.030 40.030 41.335 -1.305 26047 2598 1 6 . 1 1 32 32 ASP H H 32 7.826 7.826 8.215 -0.389 26047 2599 1 6 . 1 1 37 37 ASP N N 37 118.871 118.871 122.071 -3.200 26047 2600 1 6 . 1 1 37 37 ASP HA H 37 4.827 4.827 4.962 -0.135 26047 2601 1 6 . 1 1 37 37 ASP C C 37 174.807 174.807 173.926 0.881 26047 2602 1 6 . 1 1 37 37 ASP CA C 37 54.739 54.739 54.944 -0.205 26047 2603 1 6 . 1 1 37 37 ASP CB C 37 44.386 44.386 44.237 0.149 26047 2604 1 6 . 1 1 37 37 ASP H H 37 6.765 6.765 7.780 -1.015 26047 2605 1 6 . 1 1 38 38 SER N N 38 118.532 118.532 121.520 -2.988 26047 2606 1 6 . 1 1 38 38 SER HA H 38 4.581 4.581 4.888 -0.307 26047 2607 1 6 . 1 1 38 38 SER C C 38 174.967 174.967 175.156 -0.189 26047 2608 1 6 . 1 1 38 38 SER CA C 38 57.033 57.033 56.947 0.086 26047 2609 1 6 . 1 1 38 38 SER CB C 38 64.862 64.862 65.816 -0.954 26047 2610 1 6 . 1 1 38 38 SER H H 38 8.196 8.196 8.399 -0.203 26047 2611 1 6 . 1 1 39 39 SER N N 39 124.920 124.920 121.022 3.898 26047 2612 1 6 . 1 1 39 39 SER HA H 39 4.131 4.131 4.374 -0.243 26047 2613 1 6 . 1 1 39 39 SER C C 39 177.101 177.101 176.310 0.791 26047 2614 1 6 . 1 1 39 39 SER CA C 39 61.690 61.690 60.648 1.042 26047 2615 1 6 . 1 1 39 39 SER CB C 39 61.632 61.632 63.302 -1.670 26047 2616 1 6 . 1 1 39 39 SER H H 39 7.872 7.872 8.045 -0.173 26047 2617 1 6 . 1 1 40 40 ARG N N 40 124.309 124.309 121.193 3.116 26047 2618 1 6 . 1 1 40 40 ARG HA H 40 3.607 3.607 4.359 -0.752 26047 2619 1 6 . 1 1 40 40 ARG C C 40 179.844 179.844 178.370 1.474 26047 2620 1 6 . 1 1 40 40 ARG CA C 40 58.859 58.859 58.468 0.391 26047 2621 1 6 . 1 1 40 40 ARG CB C 40 28.763 28.763 29.314 -0.551 26047 2622 1 6 . 1 1 40 40 ARG H H 40 7.617 7.617 7.745 -0.128 26047 2623 1 6 . 1 1 41 41 ASP N N 41 118.394 118.394 120.442 -2.048 26047 2624 1 6 . 1 1 41 41 ASP HA H 41 4.314 4.314 4.469 -0.155 26047 2625 1 6 . 1 1 41 41 ASP C C 41 176.750 176.750 177.190 -0.440 26047 2626 1 6 . 1 1 41 41 ASP CA C 41 56.536 56.536 56.947 -0.411 26047 2627 1 6 . 1 1 41 41 ASP CB C 41 40.095 40.095 40.336 -0.241 26047 2628 1 6 . 1 1 41 41 ASP H H 41 7.079 7.079 8.566 -1.487 26047 2629 1 6 . 1 1 42 42 ARG N N 42 115.037 115.037 117.021 -1.984 26047 2630 1 6 . 1 1 42 42 ARG HA H 42 4.431 4.431 4.405 0.026 26047 2631 1 6 . 1 1 42 42 ARG C C 42 175.430 175.430 175.683 -0.253 26047 2632 1 6 . 1 1 42 42 ARG CA C 42 56.099 56.099 55.828 0.271 26047 2633 1 6 . 1 1 42 42 ARG CB C 42 31.577 31.577 30.493 1.084 26047 2634 1 6 . 1 1 42 42 ARG H H 42 6.859 6.859 7.765 -0.906 26047 2635 1 6 . 1 1 49 49 MET N N 49 123.105 123.105 120.641 2.464 26047 2636 1 6 . 1 1 49 49 MET HA H 49 4.681 4.681 4.921 -0.240 26047 2637 1 6 . 1 1 49 49 MET C C 49 176.492 176.492 175.056 1.436 26047 2638 1 6 . 1 1 49 49 MET CA C 49 54.487 54.487 54.618 -0.131 26047 2639 1 6 . 1 1 49 49 MET CB C 49 33.755 33.755 35.194 -1.439 26047 2640 1 6 . 1 1 49 49 MET H H 49 9.261 9.261 8.653 0.608 26047 2641 1 6 . 1 1 50 50 LEU N N 50 131.689 131.689 123.869 7.820 26047 2642 1 6 . 1 1 50 50 LEU HA H 50 4.210 4.210 4.683 -0.473 26047 2643 1 6 . 1 1 50 50 LEU C C 50 177.825 177.825 178.070 -0.245 26047 2644 1 6 . 1 1 50 50 LEU CA C 50 57.249 57.249 54.349 2.900 26047 2645 1 6 . 1 1 50 50 LEU CB C 50 41.752 41.752 41.384 0.368 26047 2646 1 6 . 1 1 50 50 LEU H H 50 8.633 8.633 7.789 0.844 26047 2647 1 6 . 1 1 54 54 GLU N N 54 117.417 117.417 119.260 -1.843 26047 2648 1 6 . 1 1 54 54 GLU HA H 54 4.220 4.220 4.261 -0.041 26047 2649 1 6 . 1 1 54 54 GLU C C 54 176.221 176.221 176.016 0.205 26047 2650 1 6 . 1 1 54 54 GLU CA C 54 57.447 57.447 57.794 -0.347 26047 2651 1 6 . 1 1 54 54 GLU CB C 54 31.200 31.200 30.513 0.687 26047 2652 1 6 . 1 1 54 54 GLU H H 54 9.389 9.389 8.830 0.559 26047 2653 1 6 . 1 1 55 55 VAL N N 55 108.426 108.426 112.655 -4.229 26047 2654 1 6 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.271 0.043 26047 2655 1 6 . 1 1 55 55 VAL C C 55 175.226 175.226 174.618 0.608 26047 2656 1 6 . 1 1 55 55 VAL CA C 55 57.461 57.461 59.445 -1.984 26047 2657 1 6 . 1 1 55 55 VAL CB C 55 35.557 35.557 34.292 1.265 26047 2658 1 6 . 1 1 55 55 VAL H H 55 6.820 6.820 7.220 -0.400 26047 2659 1 6 . 1 1 56 56 ILE N N 56 111.618 111.618 113.856 -2.238 26047 2660 1 6 . 1 1 56 56 ILE HA H 56 3.853 3.853 4.072 -0.219 26047 2661 1 6 . 1 1 56 56 ILE C C 56 177.344 177.344 176.144 1.200 26047 2662 1 6 . 1 1 56 56 ILE CA C 56 61.975 61.975 60.538 1.437 26047 2663 1 6 . 1 1 56 56 ILE CB C 56 38.342 38.342 38.325 0.017 26047 2664 1 6 . 1 1 56 56 ILE H H 56 7.404 7.404 7.491 -0.087 26047 2665 1 6 . 1 1 57 57 ARG N N 57 124.436 124.436 123.721 0.715 26047 2666 1 6 . 1 1 57 57 ARG HA H 57 4.063 4.063 4.020 0.043 26047 2667 1 6 . 1 1 57 57 ARG C C 57 179.428 179.428 178.539 0.889 26047 2668 1 6 . 1 1 57 57 ARG CA C 57 59.838 59.838 59.621 0.217 26047 2669 1 6 . 1 1 57 57 ARG CB C 57 30.630 30.630 30.200 0.430 26047 2670 1 6 . 1 1 57 57 ARG H H 57 8.631 8.631 8.369 0.262 26047 2671 1 6 . 1 1 58 58 GLY N N 58 107.151 107.151 105.086 2.065 26047 2672 1 6 . 1 1 58 58 GLY C C 58 175.210 175.210 175.440 -0.230 26047 2673 1 6 . 1 1 58 58 GLY CA C 58 47.621 47.621 46.670 0.951 26047 2674 1 6 . 1 1 58 58 GLY H H 58 9.688 9.688 7.978 1.710 26047 2675 1 6 . 1 1 59 59 TRP N N 59 119.956 119.956 121.490 -1.534 26047 2676 1 6 . 1 1 59 59 TRP HA H 59 4.227 4.227 4.526 -0.299 26047 2677 1 6 . 1 1 59 59 TRP C C 59 177.529 177.529 178.600 -1.071 26047 2678 1 6 . 1 1 59 59 TRP CA C 59 59.681 59.681 58.678 1.003 26047 2679 1 6 . 1 1 59 59 TRP CB C 59 29.092 29.092 29.408 -0.316 26047 2680 1 6 . 1 1 59 59 TRP H H 59 7.534 7.534 7.495 0.039 26047 2681 1 6 . 1 1 60 60 GLU N N 60 118.374 118.374 118.904 -0.530 26047 2682 1 6 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.189 -0.299 26047 2683 1 6 . 1 1 60 60 GLU C C 60 178.377 178.377 179.344 -0.967 26047 2684 1 6 . 1 1 60 60 GLU CA C 60 61.081 61.081 59.981 1.100 26047 2685 1 6 . 1 1 60 60 GLU CB C 60 29.417 29.417 29.512 -0.095 26047 2686 1 6 . 1 1 60 60 GLU H H 60 7.275 7.275 8.023 -0.748 26047 2687 1 6 . 1 1 61 61 GLU N N 61 113.896 113.896 117.837 -3.941 26047 2688 1 6 . 1 1 61 61 GLU HA H 61 4.149 4.149 4.337 -0.188 26047 2689 1 6 . 1 1 61 61 GLU C C 61 179.320 179.320 178.315 1.005 26047 2690 1 6 . 1 1 61 61 GLU CA C 61 58.633 58.633 57.770 0.863 26047 2691 1 6 . 1 1 61 61 GLU CB C 61 29.872 29.872 29.860 0.012 26047 2692 1 6 . 1 1 61 61 GLU H H 61 8.390 8.390 8.157 0.233 26047 2693 1 6 . 1 1 62 62 GLY N N 62 106.899 106.899 108.186 -1.287 26047 2694 1 6 . 1 1 62 62 GLY C C 62 174.585 174.585 176.029 -1.444 26047 2695 1 6 . 1 1 62 62 GLY CA C 62 47.194 47.194 46.233 0.961 26047 2696 1 6 . 1 1 62 62 GLY H H 62 7.932 7.932 7.671 0.261 26047 2697 1 6 . 1 1 63 63 VAL N N 63 120.730 120.730 122.497 -1.767 26047 2698 1 6 . 1 1 63 63 VAL HA H 63 3.927 3.927 3.866 0.061 26047 2699 1 6 . 1 1 63 63 VAL C C 63 177.334 177.334 177.345 -0.011 26047 2700 1 6 . 1 1 63 63 VAL CA C 63 65.419 65.419 65.324 0.095 26047 2701 1 6 . 1 1 63 63 VAL CB C 63 31.126 31.126 31.624 -0.498 26047 2702 1 6 . 1 1 63 63 VAL H H 63 8.688 8.688 8.670 0.018 26047 2703 1 6 . 1 1 64 64 ALA N N 64 117.132 117.132 120.250 -3.118 26047 2704 1 6 . 1 1 64 64 ALA HA H 64 4.014 4.014 4.308 -0.294 26047 2705 1 6 . 1 1 64 64 ALA C C 64 177.759 177.759 178.089 -0.330 26047 2706 1 6 . 1 1 64 64 ALA CA C 64 54.526 54.526 53.739 0.787 26047 2707 1 6 . 1 1 64 64 ALA CB C 64 18.715 18.715 18.591 0.124 26047 2708 1 6 . 1 1 64 64 ALA H H 64 7.160 7.160 8.184 -1.024 26047 2709 1 6 . 1 1 65 65 GLN N N 65 112.231 112.231 116.208 -3.977 26047 2710 1 6 . 1 1 65 65 GLN HA H 65 4.359 4.359 4.385 -0.026 26047 2711 1 6 . 1 1 65 65 GLN C C 65 175.568 175.568 175.933 -0.365 26047 2712 1 6 . 1 1 65 65 GLN CA C 65 55.459 55.459 55.992 -0.533 26047 2713 1 6 . 1 1 65 65 GLN CB C 65 30.028 30.028 29.657 0.371 26047 2714 1 6 . 1 1 65 65 GLN H H 65 7.143 7.143 7.851 -0.708 26047 2715 1 6 . 1 1 66 66 MET N N 66 122.412 122.412 118.678 3.734 26047 2716 1 6 . 1 1 66 66 MET HA H 66 4.788 4.788 4.794 -0.006 26047 2717 1 6 . 1 1 66 66 MET C C 66 172.467 172.467 175.074 -2.607 26047 2718 1 6 . 1 1 66 66 MET CA C 66 55.118 55.118 54.351 0.767 26047 2719 1 6 . 1 1 66 66 MET CB C 66 35.667 35.667 34.781 0.887 26047 2720 1 6 . 1 1 66 66 MET H H 66 7.965 7.965 7.512 0.453 26047 2721 1 6 . 1 1 67 67 SER N N 67 107.611 107.611 114.101 -6.490 26047 2722 1 6 . 1 1 67 67 SER HA H 67 4.833 4.833 4.429 0.404 26047 2723 1 6 . 1 1 67 67 SER C C 67 176.275 176.275 174.513 1.762 26047 2724 1 6 . 1 1 67 67 SER CA C 67 54.465 54.465 55.833 -1.368 26047 2725 1 6 . 1 1 67 67 SER CB C 67 65.982 65.982 65.024 0.958 26047 2726 1 6 . 1 1 67 67 SER H H 67 8.182 8.182 8.182 -0.000 26047 2727 1 6 . 1 1 68 68 VAL N N 68 119.266 119.266 120.931 -1.665 26047 2728 1 6 . 1 1 68 68 VAL HA H 68 3.105 3.105 3.578 -0.473 26047 2729 1 6 . 1 1 68 68 VAL C C 68 176.390 176.390 176.742 -0.352 26047 2730 1 6 . 1 1 68 68 VAL CA C 68 67.074 67.074 65.009 2.065 26047 2731 1 6 . 1 1 68 68 VAL CB C 68 31.503 31.503 30.048 1.455 26047 2732 1 6 . 1 1 68 68 VAL H H 68 7.650 7.650 8.241 -0.591 26047 2733 1 6 . 1 1 69 69 GLY N N 69 116.900 116.900 114.719 2.181 26047 2734 1 6 . 1 1 69 69 GLY C C 69 173.934 173.934 173.823 0.111 26047 2735 1 6 . 1 1 69 69 GLY CA C 69 44.407 44.407 44.987 -0.580 26047 2736 1 6 . 1 1 69 69 GLY H H 69 8.855 8.855 8.776 0.079 26047 2737 1 6 . 1 1 70 70 GLN N N 70 123.210 123.210 120.779 2.431 26047 2738 1 6 . 1 1 70 70 GLN HA H 70 4.035 4.035 4.761 -0.726 26047 2739 1 6 . 1 1 70 70 GLN C C 70 173.663 173.663 174.451 -0.788 26047 2740 1 6 . 1 1 70 70 GLN CA C 70 55.788 55.788 54.859 0.929 26047 2741 1 6 . 1 1 70 70 GLN CB C 70 30.551 30.551 31.339 -0.788 26047 2742 1 6 . 1 1 70 70 GLN H H 70 8.607 8.607 7.948 0.659 26047 2743 1 6 . 1 1 71 71 ARG N N 71 124.586 124.586 126.012 -1.426 26047 2744 1 6 . 1 1 71 71 ARG HA H 71 5.660 5.660 4.862 0.798 26047 2745 1 6 . 1 1 71 71 ARG C C 71 175.582 175.582 173.971 1.611 26047 2746 1 6 . 1 1 71 71 ARG CA C 71 53.936 53.936 54.697 -0.761 26047 2747 1 6 . 1 1 71 71 ARG CB C 71 33.739 33.739 32.648 1.091 26047 2748 1 6 . 1 1 71 71 ARG H H 71 8.802 8.802 8.687 0.115 26047 2749 1 6 . 1 1 75 75 THR N N 75 121.856 121.856 120.680 1.176 26047 2750 1 6 . 1 1 75 75 THR HA H 75 5.052 5.052 4.747 0.305 26047 2751 1 6 . 1 1 75 75 THR C C 75 175.079 175.079 173.664 1.415 26047 2752 1 6 . 1 1 75 75 THR CA C 75 63.355 63.355 62.681 0.674 26047 2753 1 6 . 1 1 75 75 THR CB C 75 68.790 68.790 69.353 -0.562 26047 2754 1 6 . 1 1 75 75 THR H H 75 8.884 8.884 8.615 0.269 26047 2755 1 6 . 1 1 76 76 ILE N N 76 129.859 129.859 128.519 1.340 26047 2756 1 6 . 1 1 76 76 ILE HA H 76 4.680 4.680 4.700 -0.020 26047 2757 1 6 . 1 1 76 76 ILE C C 76 173.943 173.943 175.342 -1.399 26047 2758 1 6 . 1 1 76 76 ILE CA C 76 60.898 60.898 58.600 2.298 26047 2759 1 6 . 1 1 76 76 ILE CB C 76 41.236 41.236 38.992 2.244 26047 2760 1 6 . 1 1 76 76 ILE H H 76 9.864 9.864 8.841 1.023 26047 2761 1 6 . 1 1 77 77 SER N N 77 123.243 123.243 121.246 1.997 26047 2762 1 6 . 1 1 77 77 SER HA H 77 4.732 4.732 5.127 -0.395 26047 2763 1 6 . 1 1 77 77 SER C C 77 173.647 173.647 174.210 -0.563 26047 2764 1 6 . 1 1 77 77 SER CA C 77 57.726 57.726 55.596 2.130 26047 2765 1 6 . 1 1 77 77 SER CB C 77 62.763 62.763 63.649 -0.886 26047 2766 1 6 . 1 1 77 77 SER H H 77 8.612 8.612 8.232 0.380 26047 2767 1 6 . 1 1 78 78 PRO HA H 78 4.488 4.488 4.401 0.087 26047 2768 1 6 . 1 1 78 78 PRO C C 78 180.133 180.133 177.087 3.046 26047 2769 1 6 . 1 1 78 78 PRO CA C 78 65.828 65.828 65.104 0.724 26047 2770 1 6 . 1 1 78 78 PRO CB C 78 30.995 30.995 32.048 -1.053 26047 2771 1 6 . 1 1 79 79 ASP N N 79 115.934 115.934 115.748 0.186 26047 2772 1 6 . 1 1 79 79 ASP HA H 79 4.390 4.390 4.579 -0.189 26047 2773 1 6 . 1 1 79 79 ASP C C 79 176.810 176.810 177.300 -0.490 26047 2774 1 6 . 1 1 79 79 ASP CA C 79 56.159 56.159 56.447 -0.288 26047 2775 1 6 . 1 1 79 79 ASP CB C 79 39.361 39.361 41.153 -1.792 26047 2776 1 6 . 1 1 79 79 ASP H H 79 8.799 8.799 8.716 0.083 26047 2777 1 6 . 1 1 80 80 TYR N N 80 120.969 120.969 118.935 2.034 26047 2778 1 6 . 1 1 80 80 TYR HA H 80 4.377 4.377 4.401 -0.024 26047 2779 1 6 . 1 1 80 80 TYR C C 80 173.332 173.332 175.874 -2.542 26047 2780 1 6 . 1 1 80 80 TYR CA C 80 57.597 57.597 59.483 -1.885 26047 2781 1 6 . 1 1 80 80 TYR CB C 80 38.903 38.903 40.088 -1.185 26047 2782 1 6 . 1 1 80 80 TYR H H 80 8.116 8.116 7.765 0.351 26047 2783 1 6 . 1 1 81 81 ALA N N 81 125.669 125.669 121.792 3.877 26047 2784 1 6 . 1 1 81 81 ALA HA H 81 4.421 4.421 3.968 0.453 26047 2785 1 6 . 1 1 81 81 ALA C C 81 175.888 175.888 177.419 -1.531 26047 2786 1 6 . 1 1 81 81 ALA CA C 81 51.701 51.701 54.493 -2.792 26047 2787 1 6 . 1 1 81 81 ALA CB C 81 19.334 19.334 19.180 0.153 26047 2788 1 6 . 1 1 81 81 ALA H H 81 7.801 7.801 8.331 -0.530 26047 2789 1 6 . 1 1 82 82 TYR N N 82 122.080 122.080 114.852 7.228 26047 2790 1 6 . 1 1 82 82 TYR HA H 82 4.566 4.566 4.587 -0.021 26047 2791 1 6 . 1 1 82 82 TYR C C 82 176.653 176.653 176.516 0.137 26047 2792 1 6 . 1 1 82 82 TYR CA C 82 58.865 58.865 58.350 0.515 26047 2793 1 6 . 1 1 82 82 TYR CB C 82 37.995 37.995 41.814 -3.819 26047 2794 1 6 . 1 1 82 82 TYR H H 82 9.321 9.321 7.616 1.705 26047 2795 1 6 . 1 1 83 83 GLY N N 83 108.394 108.394 106.498 1.896 26047 2796 1 6 . 1 1 83 83 GLY C C 83 175.214 175.214 172.769 2.445 26047 2797 1 6 . 1 1 83 83 GLY CA C 83 46.827 46.827 45.355 1.472 26047 2798 1 6 . 1 1 83 83 GLY H H 83 8.535 8.535 7.915 0.620 26047 2799 1 6 . 1 1 84 84 ALA HA H 84 3.273 3.273 4.253 -0.980 26047 2800 1 6 . 1 1 84 84 ALA C C 84 177.536 177.536 177.699 -0.163 26047 2801 1 6 . 1 1 84 84 ALA CA C 84 53.514 53.514 53.580 -0.066 26047 2802 1 6 . 1 1 84 84 ALA CB C 84 19.318 19.318 19.117 0.201 26047 2803 1 6 . 1 1 85 85 THR N N 85 109.341 109.341 113.320 -3.979 26047 2804 1 6 . 1 1 85 85 THR HA H 85 4.038 4.038 4.242 -0.204 26047 2805 1 6 . 1 1 85 85 THR C C 85 177.149 177.149 175.421 1.728 26047 2806 1 6 . 1 1 85 85 THR CA C 85 64.040 64.040 62.512 1.528 26047 2807 1 6 . 1 1 85 85 THR CB C 85 69.466 69.466 69.629 -0.163 26047 2808 1 6 . 1 1 85 85 THR H H 85 7.927 7.927 7.982 -0.055 26047 2809 1 6 . 1 1 86 86 GLY N N 86 106.961 106.961 109.244 -2.283 26047 2810 1 6 . 1 1 86 86 GLY C C 86 171.567 171.567 172.969 -1.402 26047 2811 1 6 . 1 1 86 86 GLY CA C 86 45.151 45.151 44.578 0.573 26047 2812 1 6 . 1 1 86 86 GLY H H 86 7.341 7.341 7.717 -0.376 26047 2813 1 6 . 1 1 87 87 HIS N N 87 121.870 121.870 120.473 1.397 26047 2814 1 6 . 1 1 87 87 HIS HA H 87 4.967 4.967 4.654 0.313 26047 2815 1 6 . 1 1 87 87 HIS C C 87 172.750 172.750 173.644 -0.894 26047 2816 1 6 . 1 1 87 87 HIS CA C 87 53.029 53.029 52.630 0.399 26047 2817 1 6 . 1 1 87 87 HIS CB C 87 32.349 32.349 30.656 1.693 26047 2818 1 6 . 1 1 87 87 HIS H H 87 8.799 8.799 8.015 0.784 26047 2819 1 6 . 1 1 88 88 PRO HA H 88 4.132 4.132 4.297 -0.165 26047 2820 1 6 . 1 1 88 88 PRO C C 88 176.585 176.585 177.401 -0.816 26047 2821 1 6 . 1 1 88 88 PRO CA C 88 65.123 65.123 63.672 1.451 26047 2822 1 6 . 1 1 88 88 PRO CB C 88 31.851 31.851 31.723 0.128 26047 2823 1 6 . 1 1 89 89 GLY N N 89 113.445 113.445 113.322 0.123 26047 2824 1 6 . 1 1 89 89 GLY C C 89 174.030 174.030 174.731 -0.701 26047 2825 1 6 . 1 1 89 89 GLY CA C 89 45.251 45.251 45.131 0.120 26047 2826 1 6 . 1 1 89 89 GLY H H 89 8.571 8.571 8.690 -0.119 26047 2827 1 6 . 1 1 90 90 ILE N N 90 118.128 118.128 121.119 -2.991 26047 2828 1 6 . 1 1 90 90 ILE HA H 90 4.252 4.252 4.209 0.043 26047 2829 1 6 . 1 1 90 90 ILE C C 90 174.403 174.403 175.905 -1.502 26047 2830 1 6 . 1 1 90 90 ILE CA C 90 62.855 62.855 62.534 0.321 26047 2831 1 6 . 1 1 90 90 ILE CB C 90 41.565 41.565 38.983 2.582 26047 2832 1 6 . 1 1 90 90 ILE H H 90 8.103 8.103 7.639 0.464 26047 2833 1 6 . 1 1 91 91 ILE N N 91 119.444 119.444 120.367 -0.923 26047 2834 1 6 . 1 1 91 91 ILE HA H 91 4.506 4.506 4.322 0.184 26047 2835 1 6 . 1 1 91 91 ILE C C 91 174.345 174.345 173.805 0.540 26047 2836 1 6 . 1 1 91 91 ILE CA C 91 56.335 56.335 56.975 -0.640 26047 2837 1 6 . 1 1 91 91 ILE CB C 91 40.719 40.719 36.754 3.965 26047 2838 1 6 . 1 1 91 91 ILE H H 91 8.241 8.241 7.534 0.707 26047 2839 1 6 . 1 1 92 92 PRO HA H 92 4.717 4.717 4.683 0.034 26047 2840 1 6 . 1 1 92 92 PRO CB C 92 31.011 31.011 31.348 -0.337 26047 2841 1 6 . 1 1 93 93 PRO HA H 93 3.617 3.617 4.307 -0.690 26047 2842 1 6 . 1 1 93 93 PRO C C 93 175.714 175.714 176.984 -1.270 26047 2843 1 6 . 1 1 93 93 PRO CA C 93 63.618 63.618 63.093 0.525 26047 2844 1 6 . 1 1 93 93 PRO CB C 93 33.171 33.171 32.376 0.795 26047 2845 1 6 . 1 1 94 94 HIS N N 94 115.851 115.851 116.475 -0.624 26047 2846 1 6 . 1 1 94 94 HIS HA H 94 3.804 3.804 4.158 -0.354 26047 2847 1 6 . 1 1 94 94 HIS C C 94 173.821 173.821 173.762 0.059 26047 2848 1 6 . 1 1 94 94 HIS CA C 94 57.145 57.145 57.569 -0.424 26047 2849 1 6 . 1 1 94 94 HIS CB C 94 27.977 27.977 27.731 0.246 26047 2850 1 6 . 1 1 94 94 HIS H H 94 7.934 7.934 8.520 -0.586 26047 2851 1 6 . 1 1 95 95 ALA N N 95 122.072 122.072 121.025 1.047 26047 2852 1 6 . 1 1 95 95 ALA HA H 95 4.459 4.459 4.625 -0.166 26047 2853 1 6 . 1 1 95 95 ALA C C 95 177.246 177.246 175.746 1.500 26047 2854 1 6 . 1 1 95 95 ALA CA C 95 52.728 52.728 50.936 1.792 26047 2855 1 6 . 1 1 95 95 ALA CB C 95 20.567 20.567 21.737 -1.170 26047 2856 1 6 . 1 1 95 95 ALA H H 95 7.706 7.706 7.735 -0.029 26047 2857 1 6 . 1 1 96 96 THR N N 96 122.875 122.875 119.039 3.836 26047 2858 1 6 . 1 1 96 96 THR HA H 96 4.650 4.650 4.452 0.198 26047 2859 1 6 . 1 1 96 96 THR C C 96 173.818 173.818 173.750 0.068 26047 2860 1 6 . 1 1 96 96 THR CA C 96 63.778 63.778 63.166 0.612 26047 2861 1 6 . 1 1 96 96 THR CB C 96 69.588 69.588 69.698 -0.110 26047 2862 1 6 . 1 1 96 96 THR H H 96 8.448 8.448 8.206 0.242 26047 2863 1 6 . 1 1 97 97 LEU N N 97 124.809 124.809 125.214 -0.405 26047 2864 1 6 . 1 1 97 97 LEU HA H 97 5.110 5.110 4.779 0.331 26047 2865 1 6 . 1 1 97 97 LEU C C 97 175.041 175.041 175.526 -0.485 26047 2866 1 6 . 1 1 97 97 LEU CA C 97 52.832 52.832 53.945 -1.113 26047 2867 1 6 . 1 1 97 97 LEU CB C 97 46.391 46.391 45.288 1.103 26047 2868 1 6 . 1 1 97 97 LEU H H 97 8.725 8.725 9.107 -0.382 26047 2869 1 6 . 1 1 98 98 VAL N N 98 121.081 121.081 118.574 2.507 26047 2870 1 6 . 1 1 98 98 VAL HA H 98 5.215 5.215 4.591 0.624 26047 2871 1 6 . 1 1 98 98 VAL C C 98 175.150 175.150 174.471 0.679 26047 2872 1 6 . 1 1 98 98 VAL CA C 98 60.662 60.662 61.458 -0.796 26047 2873 1 6 . 1 1 98 98 VAL CB C 98 34.355 34.355 34.157 0.198 26047 2874 1 6 . 1 1 98 98 VAL H H 98 8.692 8.692 8.508 0.184 26047 2875 1 6 . 1 1 99 99 PHE N N 99 123.638 123.638 125.738 -2.100 26047 2876 1 6 . 1 1 99 99 PHE HA H 99 5.754 5.754 5.657 0.097 26047 2877 1 6 . 1 1 99 99 PHE C C 99 174.328 174.328 174.059 0.269 26047 2878 1 6 . 1 1 99 99 PHE CA C 99 55.196 55.196 56.323 -1.127 26047 2879 1 6 . 1 1 99 99 PHE CB C 99 43.396 43.396 43.483 -0.087 26047 2880 1 6 . 1 1 99 99 PHE H H 99 9.724 9.724 9.377 0.347 26047 2881 1 6 . 1 1 100 100 ASP N N 100 124.358 124.358 124.502 -0.144 26047 2882 1 6 . 1 1 100 100 ASP HA H 100 5.164 5.164 5.087 0.077 26047 2883 1 6 . 1 1 100 100 ASP C C 100 176.946 176.946 175.480 1.466 26047 2884 1 6 . 1 1 100 100 ASP CA C 100 52.778 52.778 53.228 -0.450 26047 2885 1 6 . 1 1 100 100 ASP CB C 100 42.320 42.320 43.266 -0.946 26047 2886 1 6 . 1 1 100 100 ASP H H 100 8.775 8.775 8.605 0.170 26047 2887 1 6 . 1 1 101 101 VAL N N 101 126.428 126.428 119.915 6.513 26047 2888 1 6 . 1 1 101 101 VAL HA H 101 5.057 5.057 5.500 -0.443 26047 2889 1 6 . 1 1 101 101 VAL C C 101 172.620 172.620 174.131 -1.511 26047 2890 1 6 . 1 1 101 101 VAL CA C 101 61.041 61.041 59.324 1.717 26047 2891 1 6 . 1 1 101 101 VAL CB C 101 35.481 35.481 34.134 1.347 26047 2892 1 6 . 1 1 101 101 VAL H H 101 9.513 9.513 7.707 1.806 26047 2893 1 6 . 1 1 102 102 GLU N N 102 128.393 128.393 120.575 7.818 26047 2894 1 6 . 1 1 102 102 GLU HA H 102 5.392 5.392 4.918 0.474 26047 2895 1 6 . 1 1 102 102 GLU C C 102 175.174 175.174 175.113 0.061 26047 2896 1 6 . 1 1 102 102 GLU CA C 102 53.979 53.979 53.717 0.262 26047 2897 1 6 . 1 1 102 102 GLU CB C 102 33.852 33.852 32.641 1.211 26047 2898 1 6 . 1 1 102 102 GLU H H 102 9.285 9.285 8.217 1.068 26047 2899 1 6 . 1 1 103 103 LEU N N 103 128.290 128.290 125.682 2.608 26047 2900 1 6 . 1 1 103 103 LEU HA H 103 4.671 4.671 4.321 0.350 26047 2901 1 6 . 1 1 103 103 LEU C C 103 174.266 174.266 175.849 -1.583 26047 2902 1 6 . 1 1 103 103 LEU CA C 103 54.356 54.356 54.705 -0.348 26047 2903 1 6 . 1 1 103 103 LEU CB C 103 41.465 41.465 40.540 0.925 26047 2904 1 6 . 1 1 103 103 LEU H H 103 8.613 8.613 8.738 -0.125 26047 2905 1 7 . 1 1 -2 -2 PRO HA H -2 4.485 4.485 4.605 -0.120 26047 2906 1 7 . 1 1 -2 -2 PRO C C -2 176.570 176.570 176.469 0.101 26047 2907 1 7 . 1 1 -2 -2 PRO CA C -2 63.243 63.243 62.905 0.338 26047 2908 1 7 . 1 1 -2 -2 PRO CB C -2 32.290 32.290 31.934 0.356 26047 2909 1 7 . 1 1 -1 -1 SER N N -1 116.659 116.659 116.242 0.417 26047 2910 1 7 . 1 1 -1 -1 SER HA H -1 4.422 4.422 4.306 0.116 26047 2911 1 7 . 1 1 -1 -1 SER C C -1 174.384 174.384 173.655 0.729 26047 2912 1 7 . 1 1 -1 -1 SER CA C -1 58.230 58.230 59.130 -0.900 26047 2913 1 7 . 1 1 -1 -1 SER CB C -1 63.838 63.838 63.247 0.591 26047 2914 1 7 . 1 1 -1 -1 SER H H -1 8.542 8.542 8.308 0.234 26047 2915 1 7 . 1 1 0 0 MET N N 0 122.115 122.115 124.837 -2.722 26047 2916 1 7 . 1 1 0 0 MET HA H 0 4.441 4.441 4.683 -0.242 26047 2917 1 7 . 1 1 0 0 MET C C 0 176.182 176.182 175.318 0.864 26047 2918 1 7 . 1 1 0 0 MET CA C 0 55.346 55.346 54.885 0.461 26047 2919 1 7 . 1 1 0 0 MET CB C 0 33.248 33.248 34.884 -1.636 26047 2920 1 7 . 1 1 0 0 MET H H 0 8.356 8.356 8.168 0.188 26047 2921 1 7 . 1 1 1 1 GLY N N 1 110.724 110.724 109.285 1.439 26047 2922 1 7 . 1 1 1 1 GLY C C 1 172.468 172.468 172.079 0.389 26047 2923 1 7 . 1 1 1 1 GLY CA C 1 45.585 45.585 44.753 0.832 26047 2924 1 7 . 1 1 1 1 GLY H H 1 8.157 8.157 7.992 0.165 26047 2925 1 7 . 1 1 2 2 VAL N N 2 117.765 117.765 118.774 -1.009 26047 2926 1 7 . 1 1 2 2 VAL HA H 2 4.889 4.889 5.207 -0.318 26047 2927 1 7 . 1 1 2 2 VAL C C 2 173.396 173.396 174.043 -0.647 26047 2928 1 7 . 1 1 2 2 VAL CA C 2 59.731 59.731 60.206 -0.476 26047 2929 1 7 . 1 1 2 2 VAL CB C 2 34.600 34.600 34.749 -0.149 26047 2930 1 7 . 1 1 2 2 VAL H H 2 7.471 7.471 7.210 0.261 26047 2931 1 7 . 1 1 3 3 GLN N N 3 126.962 126.962 128.374 -1.412 26047 2932 1 7 . 1 1 3 3 GLN HA H 3 4.686 4.686 4.691 -0.005 26047 2933 1 7 . 1 1 3 3 GLN C C 3 174.658 174.658 174.890 -0.232 26047 2934 1 7 . 1 1 3 3 GLN CA C 3 54.379 54.379 54.843 -0.464 26047 2935 1 7 . 1 1 3 3 GLN CB C 3 31.669 31.669 31.386 0.283 26047 2936 1 7 . 1 1 3 3 GLN H H 3 8.514 8.514 8.197 0.317 26047 2937 1 7 . 1 1 4 4 VAL N N 4 125.396 125.396 125.855 -0.459 26047 2938 1 7 . 1 1 4 4 VAL HA H 4 4.520 4.520 4.309 0.211 26047 2939 1 7 . 1 1 4 4 VAL C C 4 175.411 175.411 175.261 0.150 26047 2940 1 7 . 1 1 4 4 VAL CA C 4 61.993 61.993 61.837 0.155 26047 2941 1 7 . 1 1 4 4 VAL CB C 4 33.355 33.355 32.665 0.690 26047 2942 1 7 . 1 1 4 4 VAL H H 4 8.823 8.823 8.764 0.059 26047 2943 1 7 . 1 1 5 5 GLU N N 5 128.706 128.706 127.988 0.718 26047 2944 1 7 . 1 1 5 5 GLU HA H 5 4.782 4.782 4.633 0.149 26047 2945 1 7 . 1 1 5 5 GLU C C 5 175.830 175.830 175.771 0.059 26047 2946 1 7 . 1 1 5 5 GLU CA C 5 54.451 54.451 54.446 0.005 26047 2947 1 7 . 1 1 5 5 GLU CB C 5 32.818 32.818 30.859 1.959 26047 2948 1 7 . 1 1 5 5 GLU H H 5 9.024 9.024 8.668 0.356 26047 2949 1 7 . 1 1 6 6 THR N N 6 124.408 124.408 120.717 3.691 26047 2950 1 7 . 1 1 6 6 THR HA H 6 3.898 3.898 4.249 -0.351 26047 2951 1 7 . 1 1 6 6 THR C C 6 173.675 173.675 174.021 -0.346 26047 2952 1 7 . 1 1 6 6 THR CA C 6 66.715 66.715 63.575 3.140 26047 2953 1 7 . 1 1 6 6 THR CB C 6 68.934 68.934 69.399 -0.465 26047 2954 1 7 . 1 1 6 6 THR H H 6 9.173 9.173 8.710 0.463 26047 2955 1 7 . 1 1 7 7 ILE N N 7 129.476 129.476 126.782 2.694 26047 2956 1 7 . 1 1 7 7 ILE HA H 7 4.071 4.071 4.276 -0.205 26047 2957 1 7 . 1 1 7 7 ILE C C 7 175.768 175.768 176.302 -0.534 26047 2958 1 7 . 1 1 7 7 ILE CA C 7 63.285 63.285 61.862 1.423 26047 2959 1 7 . 1 1 7 7 ILE CB C 7 39.659 39.659 39.451 0.208 26047 2960 1 7 . 1 1 7 7 ILE H H 7 9.329 9.329 9.038 0.291 26047 2961 1 7 . 1 1 8 8 SER N N 8 114.774 114.774 115.586 -0.812 26047 2962 1 7 . 1 1 8 8 SER HA H 8 4.987 4.987 4.954 0.033 26047 2963 1 7 . 1 1 8 8 SER C C 8 171.895 171.895 172.202 -0.307 26047 2964 1 7 . 1 1 8 8 SER CA C 8 55.577 55.577 54.870 0.707 26047 2965 1 7 . 1 1 8 8 SER CB C 8 64.384 64.384 64.806 -0.422 26047 2966 1 7 . 1 1 8 8 SER H H 8 8.300 8.300 7.994 0.306 26047 2967 1 7 . 1 1 9 9 PRO HA H 9 4.331 4.331 4.596 -0.265 26047 2968 1 7 . 1 1 9 9 PRO C C 9 177.628 177.628 176.694 0.934 26047 2969 1 7 . 1 1 9 9 PRO CA C 9 63.646 63.646 62.445 1.201 26047 2970 1 7 . 1 1 9 9 PRO CB C 9 32.910 32.910 32.777 0.133 26047 2971 1 7 . 1 1 10 10 GLY N N 10 107.910 107.910 112.790 -4.880 26047 2972 1 7 . 1 1 10 10 GLY C C 10 174.203 174.203 174.217 -0.014 26047 2973 1 7 . 1 1 10 10 GLY CA C 10 44.176 44.176 45.007 -0.831 26047 2974 1 7 . 1 1 10 10 GLY H H 10 8.464 8.464 8.066 0.398 26047 2975 1 7 . 1 1 11 11 ASP N N 11 118.911 118.911 121.511 -2.600 26047 2976 1 7 . 1 1 11 11 ASP HA H 11 4.289 4.289 4.533 -0.244 26047 2977 1 7 . 1 1 11 11 ASP C C 11 178.317 178.317 177.422 0.895 26047 2978 1 7 . 1 1 11 11 ASP CA C 11 54.629 54.629 55.380 -0.751 26047 2979 1 7 . 1 1 11 11 ASP CB C 11 39.382 39.382 41.864 -2.482 26047 2980 1 7 . 1 1 11 11 ASP H H 11 8.049 8.049 8.078 -0.029 26047 2981 1 7 . 1 1 12 12 GLY N N 12 108.262 108.262 107.317 0.945 26047 2982 1 7 . 1 1 12 12 GLY C C 12 173.279 173.279 174.428 -1.149 26047 2983 1 7 . 1 1 12 12 GLY CA C 12 46.049 46.049 45.928 0.121 26047 2984 1 7 . 1 1 12 12 GLY H H 12 8.719 8.719 8.090 0.629 26047 2985 1 7 . 1 1 13 13 ARG N N 13 117.671 117.671 116.410 1.261 26047 2986 1 7 . 1 1 13 13 ARG HA H 13 4.709 4.709 4.705 0.004 26047 2987 1 7 . 1 1 13 13 ARG C C 13 175.038 175.038 174.767 0.271 26047 2988 1 7 . 1 1 13 13 ARG CA C 13 56.794 56.794 55.687 1.107 26047 2989 1 7 . 1 1 13 13 ARG CB C 13 34.416 34.416 31.710 2.706 26047 2990 1 7 . 1 1 13 13 ARG H H 13 8.539 8.539 8.046 0.493 26047 2991 1 7 . 1 1 14 14 THR N N 14 125.323 125.323 118.112 7.211 26047 2992 1 7 . 1 1 14 14 THR HA H 14 4.205 4.205 4.709 -0.504 26047 2993 1 7 . 1 1 14 14 THR C C 14 172.353 172.353 172.795 -0.442 26047 2994 1 7 . 1 1 14 14 THR CA C 14 62.060 62.060 61.757 0.303 26047 2995 1 7 . 1 1 14 14 THR CB C 14 66.395 66.395 69.121 -2.726 26047 2996 1 7 . 1 1 14 14 THR H H 14 10.197 10.197 7.736 2.461 26047 2997 1 7 . 1 1 15 15 PHE N N 15 124.865 124.865 126.219 -1.354 26047 2998 1 7 . 1 1 15 15 PHE HA H 15 5.232 5.232 5.008 0.224 26047 2999 1 7 . 1 1 15 15 PHE C C 15 174.388 174.388 174.870 -0.482 26047 3000 1 7 . 1 1 15 15 PHE CA C 15 54.495 54.495 55.504 -1.009 26047 3001 1 7 . 1 1 15 15 PHE CB C 15 39.883 39.883 39.555 0.328 26047 3002 1 7 . 1 1 15 15 PHE H H 15 8.086 8.086 8.768 -0.682 26047 3003 1 7 . 1 1 19 19 GLY N N 19 112.901 112.901 112.943 -0.042 26047 3004 1 7 . 1 1 19 19 GLY C C 19 174.204 174.204 173.256 0.948 26047 3005 1 7 . 1 1 19 19 GLY CA C 19 44.943 44.943 45.411 -0.468 26047 3006 1 7 . 1 1 19 19 GLY H H 19 8.682 8.682 8.760 -0.078 26047 3007 1 7 . 1 1 20 20 GLN N N 20 118.698 118.698 119.052 -0.354 26047 3008 1 7 . 1 1 20 20 GLN HA H 20 4.497 4.497 4.523 -0.026 26047 3009 1 7 . 1 1 20 20 GLN C C 20 174.974 174.974 175.378 -0.404 26047 3010 1 7 . 1 1 20 20 GLN CA C 20 56.335 56.335 53.406 2.929 26047 3011 1 7 . 1 1 20 20 GLN CB C 20 30.891 30.891 30.040 0.851 26047 3012 1 7 . 1 1 20 20 GLN H H 20 8.103 8.103 7.877 0.226 26047 3013 1 7 . 1 1 21 21 THR N N 21 119.715 119.715 115.978 3.737 26047 3014 1 7 . 1 1 21 21 THR HA H 21 4.457 4.457 4.550 -0.093 26047 3015 1 7 . 1 1 21 21 THR C C 21 173.797 173.797 174.484 -0.687 26047 3016 1 7 . 1 1 21 21 THR CA C 21 63.067 63.067 62.414 0.653 26047 3017 1 7 . 1 1 21 21 THR CB C 21 68.825 68.825 68.978 -0.153 26047 3018 1 7 . 1 1 21 21 THR H H 21 8.729 8.729 8.373 0.356 26047 3019 1 7 . 1 1 22 22 CYS N N 22 126.008 126.008 126.665 -0.657 26047 3020 1 7 . 1 1 22 22 CYS HA H 22 4.269 4.269 4.575 -0.306 26047 3021 1 7 . 1 1 22 22 CYS C C 22 172.458 172.458 173.947 -1.489 26047 3022 1 7 . 1 1 22 22 CYS CA C 22 58.011 58.011 57.721 0.290 26047 3023 1 7 . 1 1 22 22 CYS CB C 22 28.794 28.794 28.481 0.313 26047 3024 1 7 . 1 1 22 22 CYS H H 22 8.826 8.826 8.643 0.183 26047 3025 1 7 . 1 1 23 23 VAL N N 23 123.456 123.456 128.337 -4.881 26047 3026 1 7 . 1 1 23 23 VAL HA H 23 4.595 4.595 4.244 0.351 26047 3027 1 7 . 1 1 23 23 VAL C C 23 175.899 175.899 175.103 0.796 26047 3028 1 7 . 1 1 23 23 VAL CA C 23 61.411 61.411 62.482 -1.071 26047 3029 1 7 . 1 1 23 23 VAL CB C 23 31.277 31.277 30.727 0.551 26047 3030 1 7 . 1 1 23 23 VAL H H 23 8.063 8.063 8.884 -0.821 26047 3031 1 7 . 1 1 24 24 VAL N N 24 118.126 118.126 121.063 -2.937 26047 3032 1 7 . 1 1 24 24 VAL HA H 24 5.852 5.852 4.928 0.924 26047 3033 1 7 . 1 1 24 24 VAL C C 24 175.589 175.589 174.435 1.154 26047 3034 1 7 . 1 1 24 24 VAL CA C 24 57.962 57.962 59.785 -1.823 26047 3035 1 7 . 1 1 24 24 VAL CB C 24 35.885 35.885 36.338 -0.453 26047 3036 1 7 . 1 1 24 24 VAL H H 24 9.620 9.620 8.832 0.788 26047 3037 1 7 . 1 1 25 25 HIS N N 25 118.824 118.824 122.546 -3.722 26047 3038 1 7 . 1 1 25 25 HIS HA H 25 5.865 5.865 5.100 0.765 26047 3039 1 7 . 1 1 25 25 HIS C C 25 176.663 176.663 174.766 1.897 26047 3040 1 7 . 1 1 25 25 HIS CA C 25 54.463 54.463 55.679 -1.216 26047 3041 1 7 . 1 1 25 25 HIS CB C 25 35.454 35.454 31.414 4.040 26047 3042 1 7 . 1 1 25 25 HIS H H 25 8.579 8.579 8.355 0.224 26047 3043 1 7 . 1 1 26 26 TYR N N 26 118.524 118.524 123.449 -4.925 26047 3044 1 7 . 1 1 26 26 TYR HA H 26 6.441 6.441 5.579 0.862 26047 3045 1 7 . 1 1 26 26 TYR C C 26 173.864 173.864 174.398 -0.534 26047 3046 1 7 . 1 1 26 26 TYR CA C 26 55.934 55.934 55.177 0.757 26047 3047 1 7 . 1 1 26 26 TYR CB C 26 44.380 44.380 40.872 3.508 26047 3048 1 7 . 1 1 26 26 TYR H H 26 9.937 9.937 9.038 0.899 26047 3049 1 7 . 1 1 27 27 THR N N 27 117.098 117.098 114.884 2.214 26047 3050 1 7 . 1 1 27 27 THR HA H 27 4.482 4.482 4.682 -0.200 26047 3051 1 7 . 1 1 27 27 THR C C 27 172.648 172.648 173.732 -1.084 26047 3052 1 7 . 1 1 27 27 THR CA C 27 63.163 63.163 61.755 1.408 26047 3053 1 7 . 1 1 27 27 THR CB C 27 72.324 72.324 70.468 1.856 26047 3054 1 7 . 1 1 27 27 THR H H 27 8.716 8.716 8.623 0.093 26047 3055 1 7 . 1 1 28 28 GLY N N 28 115.590 115.590 113.764 1.826 26047 3056 1 7 . 1 1 28 28 GLY C C 28 171.083 171.083 171.444 -0.361 26047 3057 1 7 . 1 1 28 28 GLY CA C 28 45.419 45.419 43.237 2.182 26047 3058 1 7 . 1 1 28 28 GLY H H 28 9.316 9.316 9.193 0.123 26047 3059 1 7 . 1 1 29 29 MET N N 29 125.723 125.723 124.435 1.288 26047 3060 1 7 . 1 1 29 29 MET HA H 29 5.251 5.251 4.610 0.641 26047 3061 1 7 . 1 1 29 29 MET C C 29 175.508 175.508 175.604 -0.096 26047 3062 1 7 . 1 1 29 29 MET CA C 29 54.221 54.221 54.144 0.077 26047 3063 1 7 . 1 1 29 29 MET CB C 29 37.913 37.913 36.606 1.307 26047 3064 1 7 . 1 1 29 29 MET H H 29 9.192 9.192 8.781 0.411 26047 3065 1 7 . 1 1 30 30 LEU N N 30 119.150 119.150 123.656 -4.506 26047 3066 1 7 . 1 1 30 30 LEU HA H 30 4.772 4.772 4.236 0.536 26047 3067 1 7 . 1 1 30 30 LEU C C 30 179.278 179.278 178.756 0.522 26047 3068 1 7 . 1 1 30 30 LEU CA C 30 54.169 54.169 55.935 -1.766 26047 3069 1 7 . 1 1 30 30 LEU CB C 30 41.634 41.634 42.641 -1.007 26047 3070 1 7 . 1 1 30 30 LEU H H 30 8.433 8.433 8.818 -0.385 26047 3071 1 7 . 1 1 31 31 GLU N N 31 120.636 120.636 121.084 -0.448 26047 3072 1 7 . 1 1 31 31 GLU HA H 31 3.816 3.816 4.003 -0.187 26047 3073 1 7 . 1 1 31 31 GLU C C 31 176.568 176.568 177.385 -0.817 26047 3074 1 7 . 1 1 31 31 GLU CA C 31 59.788 59.788 59.229 0.559 26047 3075 1 7 . 1 1 31 31 GLU CB C 31 29.883 29.883 29.699 0.184 26047 3076 1 7 . 1 1 31 31 GLU H H 31 9.110 9.110 9.034 0.076 26047 3077 1 7 . 1 1 32 32 ASP N N 32 115.429 115.429 115.232 0.197 26047 3078 1 7 . 1 1 32 32 ASP HA H 32 4.420 4.420 4.700 -0.280 26047 3079 1 7 . 1 1 32 32 ASP C C 32 177.209 177.209 176.260 0.949 26047 3080 1 7 . 1 1 32 32 ASP CA C 32 53.556 53.556 54.413 -0.857 26047 3081 1 7 . 1 1 32 32 ASP CB C 32 40.030 40.030 41.540 -1.510 26047 3082 1 7 . 1 1 32 32 ASP H H 32 7.826 7.826 8.289 -0.463 26047 3083 1 7 . 1 1 37 37 ASP N N 37 118.871 118.871 122.111 -3.240 26047 3084 1 7 . 1 1 37 37 ASP HA H 37 4.827 4.827 5.011 -0.184 26047 3085 1 7 . 1 1 37 37 ASP C C 37 174.807 174.807 174.019 0.788 26047 3086 1 7 . 1 1 37 37 ASP CA C 37 54.739 54.739 54.929 -0.190 26047 3087 1 7 . 1 1 37 37 ASP CB C 37 44.386 44.386 45.245 -0.858 26047 3088 1 7 . 1 1 37 37 ASP H H 37 6.765 6.765 7.726 -0.961 26047 3089 1 7 . 1 1 38 38 SER N N 38 118.532 118.532 120.177 -1.645 26047 3090 1 7 . 1 1 38 38 SER HA H 38 4.581 4.581 4.839 -0.258 26047 3091 1 7 . 1 1 38 38 SER C C 38 174.967 174.967 175.367 -0.400 26047 3092 1 7 . 1 1 38 38 SER CA C 38 57.033 57.033 57.061 -0.028 26047 3093 1 7 . 1 1 38 38 SER CB C 38 64.862 64.862 65.690 -0.828 26047 3094 1 7 . 1 1 38 38 SER H H 38 8.196 8.196 8.442 -0.246 26047 3095 1 7 . 1 1 39 39 SER N N 39 124.920 124.920 120.391 4.529 26047 3096 1 7 . 1 1 39 39 SER HA H 39 4.131 4.131 4.393 -0.262 26047 3097 1 7 . 1 1 39 39 SER C C 39 177.101 177.101 176.472 0.629 26047 3098 1 7 . 1 1 39 39 SER CA C 39 61.690 61.690 60.907 0.783 26047 3099 1 7 . 1 1 39 39 SER CB C 39 61.632 61.632 63.422 -1.790 26047 3100 1 7 . 1 1 39 39 SER H H 39 7.872 7.872 8.027 -0.155 26047 3101 1 7 . 1 1 40 40 ARG N N 40 124.309 124.309 120.895 3.414 26047 3102 1 7 . 1 1 40 40 ARG HA H 40 3.607 3.607 4.299 -0.692 26047 3103 1 7 . 1 1 40 40 ARG C C 40 179.844 179.844 178.321 1.523 26047 3104 1 7 . 1 1 40 40 ARG CA C 40 58.859 58.859 58.652 0.207 26047 3105 1 7 . 1 1 40 40 ARG CB C 40 28.763 28.763 29.492 -0.729 26047 3106 1 7 . 1 1 40 40 ARG H H 40 7.617 7.617 7.765 -0.148 26047 3107 1 7 . 1 1 41 41 ASP N N 41 118.394 118.394 120.440 -2.046 26047 3108 1 7 . 1 1 41 41 ASP HA H 41 4.314 4.314 4.464 -0.150 26047 3109 1 7 . 1 1 41 41 ASP C C 41 176.750 176.750 177.152 -0.402 26047 3110 1 7 . 1 1 41 41 ASP CA C 41 56.536 56.536 56.947 -0.411 26047 3111 1 7 . 1 1 41 41 ASP CB C 41 40.095 40.095 40.350 -0.255 26047 3112 1 7 . 1 1 41 41 ASP H H 41 7.079 7.079 8.538 -1.459 26047 3113 1 7 . 1 1 42 42 ARG N N 42 115.037 115.037 117.214 -2.177 26047 3114 1 7 . 1 1 42 42 ARG HA H 42 4.431 4.431 4.407 0.024 26047 3115 1 7 . 1 1 42 42 ARG C C 42 175.430 175.430 175.692 -0.262 26047 3116 1 7 . 1 1 42 42 ARG CA C 42 56.099 56.099 55.757 0.342 26047 3117 1 7 . 1 1 42 42 ARG CB C 42 31.577 31.577 30.415 1.162 26047 3118 1 7 . 1 1 42 42 ARG H H 42 6.859 6.859 7.739 -0.880 26047 3119 1 7 . 1 1 49 49 MET N N 49 123.105 123.105 120.459 2.646 26047 3120 1 7 . 1 1 49 49 MET HA H 49 4.681 4.681 5.072 -0.391 26047 3121 1 7 . 1 1 49 49 MET C C 49 176.492 176.492 175.216 1.276 26047 3122 1 7 . 1 1 49 49 MET CA C 49 54.487 54.487 54.366 0.121 26047 3123 1 7 . 1 1 49 49 MET CB C 49 33.755 33.755 33.914 -0.160 26047 3124 1 7 . 1 1 49 49 MET H H 49 9.261 9.261 8.481 0.780 26047 3125 1 7 . 1 1 50 50 LEU N N 50 131.689 131.689 124.026 7.663 26047 3126 1 7 . 1 1 50 50 LEU HA H 50 4.210 4.210 4.695 -0.485 26047 3127 1 7 . 1 1 50 50 LEU C C 50 177.825 177.825 178.223 -0.398 26047 3128 1 7 . 1 1 50 50 LEU CA C 50 57.249 57.249 54.263 2.986 26047 3129 1 7 . 1 1 50 50 LEU CB C 50 41.752 41.752 41.904 -0.152 26047 3130 1 7 . 1 1 50 50 LEU H H 50 8.633 8.633 7.917 0.716 26047 3131 1 7 . 1 1 54 54 GLU N N 54 117.417 117.417 119.330 -1.913 26047 3132 1 7 . 1 1 54 54 GLU HA H 54 4.220 4.220 4.299 -0.079 26047 3133 1 7 . 1 1 54 54 GLU C C 54 176.221 176.221 176.367 -0.146 26047 3134 1 7 . 1 1 54 54 GLU CA C 54 57.447 57.447 58.045 -0.599 26047 3135 1 7 . 1 1 54 54 GLU CB C 54 31.200 31.200 30.467 0.733 26047 3136 1 7 . 1 1 54 54 GLU H H 54 9.389 9.389 8.881 0.508 26047 3137 1 7 . 1 1 55 55 VAL N N 55 108.426 108.426 115.150 -6.724 26047 3138 1 7 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.167 0.147 26047 3139 1 7 . 1 1 55 55 VAL C C 55 175.226 175.226 175.449 -0.223 26047 3140 1 7 . 1 1 55 55 VAL CA C 55 57.461 57.461 59.715 -2.254 26047 3141 1 7 . 1 1 55 55 VAL CB C 55 35.557 35.557 32.579 2.978 26047 3142 1 7 . 1 1 55 55 VAL H H 55 6.820 6.820 7.454 -0.634 26047 3143 1 7 . 1 1 56 56 ILE N N 56 111.618 111.618 113.329 -1.711 26047 3144 1 7 . 1 1 56 56 ILE HA H 56 3.853 3.853 4.078 -0.225 26047 3145 1 7 . 1 1 56 56 ILE C C 56 177.344 177.344 176.444 0.900 26047 3146 1 7 . 1 1 56 56 ILE CA C 56 61.975 61.975 60.446 1.529 26047 3147 1 7 . 1 1 56 56 ILE CB C 56 38.342 38.342 38.071 0.271 26047 3148 1 7 . 1 1 56 56 ILE H H 56 7.404 7.404 7.303 0.101 26047 3149 1 7 . 1 1 57 57 ARG N N 57 124.436 124.436 123.739 0.697 26047 3150 1 7 . 1 1 57 57 ARG HA H 57 4.063 4.063 4.008 0.055 26047 3151 1 7 . 1 1 57 57 ARG C C 57 179.428 179.428 178.559 0.869 26047 3152 1 7 . 1 1 57 57 ARG CA C 57 59.838 59.838 59.756 0.082 26047 3153 1 7 . 1 1 57 57 ARG CB C 57 30.630 30.630 30.168 0.462 26047 3154 1 7 . 1 1 57 57 ARG H H 57 8.631 8.631 8.500 0.131 26047 3155 1 7 . 1 1 58 58 GLY N N 58 107.151 107.151 105.053 2.098 26047 3156 1 7 . 1 1 58 58 GLY C C 58 175.210 175.210 175.475 -0.265 26047 3157 1 7 . 1 1 58 58 GLY CA C 58 47.621 47.621 46.693 0.928 26047 3158 1 7 . 1 1 58 58 GLY H H 58 9.688 9.688 7.989 1.699 26047 3159 1 7 . 1 1 59 59 TRP N N 59 119.956 119.956 121.502 -1.546 26047 3160 1 7 . 1 1 59 59 TRP HA H 59 4.227 4.227 4.529 -0.302 26047 3161 1 7 . 1 1 59 59 TRP C C 59 177.529 177.529 178.631 -1.102 26047 3162 1 7 . 1 1 59 59 TRP CA C 59 59.681 59.681 58.719 0.962 26047 3163 1 7 . 1 1 59 59 TRP CB C 59 29.092 29.092 29.400 -0.308 26047 3164 1 7 . 1 1 59 59 TRP H H 59 7.534 7.534 7.546 -0.012 26047 3165 1 7 . 1 1 60 60 GLU N N 60 118.374 118.374 118.978 -0.604 26047 3166 1 7 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.191 -0.301 26047 3167 1 7 . 1 1 60 60 GLU C C 60 178.377 178.377 179.360 -0.983 26047 3168 1 7 . 1 1 60 60 GLU CA C 60 61.081 61.081 59.994 1.087 26047 3169 1 7 . 1 1 60 60 GLU CB C 60 29.417 29.417 29.536 -0.119 26047 3170 1 7 . 1 1 60 60 GLU H H 60 7.275 7.275 8.046 -0.771 26047 3171 1 7 . 1 1 61 61 GLU N N 61 113.896 113.896 117.897 -4.001 26047 3172 1 7 . 1 1 61 61 GLU HA H 61 4.149 4.149 4.339 -0.190 26047 3173 1 7 . 1 1 61 61 GLU C C 61 179.320 179.320 178.360 0.960 26047 3174 1 7 . 1 1 61 61 GLU CA C 61 58.633 58.633 57.810 0.823 26047 3175 1 7 . 1 1 61 61 GLU CB C 61 29.872 29.872 29.836 0.036 26047 3176 1 7 . 1 1 61 61 GLU H H 61 8.390 8.390 8.203 0.187 26047 3177 1 7 . 1 1 62 62 GLY N N 62 106.899 106.899 108.297 -1.398 26047 3178 1 7 . 1 1 62 62 GLY C C 62 174.585 174.585 176.134 -1.549 26047 3179 1 7 . 1 1 62 62 GLY CA C 62 47.194 47.194 46.248 0.946 26047 3180 1 7 . 1 1 62 62 GLY H H 62 7.932 7.932 7.643 0.289 26047 3181 1 7 . 1 1 63 63 VAL N N 63 120.730 120.730 122.610 -1.880 26047 3182 1 7 . 1 1 63 63 VAL HA H 63 3.927 3.927 3.871 0.056 26047 3183 1 7 . 1 1 63 63 VAL C C 63 177.334 177.334 177.447 -0.113 26047 3184 1 7 . 1 1 63 63 VAL CA C 63 65.419 65.419 65.296 0.123 26047 3185 1 7 . 1 1 63 63 VAL CB C 63 31.126 31.126 31.503 -0.377 26047 3186 1 7 . 1 1 63 63 VAL H H 63 8.688 8.688 8.621 0.067 26047 3187 1 7 . 1 1 64 64 ALA N N 64 117.132 117.132 120.533 -3.401 26047 3188 1 7 . 1 1 64 64 ALA HA H 64 4.014 4.014 4.319 -0.305 26047 3189 1 7 . 1 1 64 64 ALA C C 64 177.759 177.759 178.231 -0.472 26047 3190 1 7 . 1 1 64 64 ALA CA C 64 54.526 54.526 53.844 0.682 26047 3191 1 7 . 1 1 64 64 ALA CB C 64 18.715 18.715 18.657 0.058 26047 3192 1 7 . 1 1 64 64 ALA H H 64 7.160 7.160 8.125 -0.965 26047 3193 1 7 . 1 1 65 65 GLN N N 65 112.231 112.231 116.253 -4.022 26047 3194 1 7 . 1 1 65 65 GLN HA H 65 4.359 4.359 4.412 -0.053 26047 3195 1 7 . 1 1 65 65 GLN C C 65 175.568 175.568 175.909 -0.341 26047 3196 1 7 . 1 1 65 65 GLN CA C 65 55.459 55.459 56.113 -0.654 26047 3197 1 7 . 1 1 65 65 GLN CB C 65 30.028 30.028 29.538 0.490 26047 3198 1 7 . 1 1 65 65 GLN H H 65 7.143 7.143 7.857 -0.714 26047 3199 1 7 . 1 1 66 66 MET N N 66 122.412 122.412 117.977 4.435 26047 3200 1 7 . 1 1 66 66 MET HA H 66 4.788 4.788 4.744 0.044 26047 3201 1 7 . 1 1 66 66 MET C C 66 172.467 172.467 175.104 -2.637 26047 3202 1 7 . 1 1 66 66 MET CA C 66 55.118 55.118 54.393 0.725 26047 3203 1 7 . 1 1 66 66 MET CB C 66 35.667 35.667 34.774 0.893 26047 3204 1 7 . 1 1 66 66 MET H H 66 7.965 7.965 7.462 0.503 26047 3205 1 7 . 1 1 67 67 SER N N 67 107.611 107.611 114.193 -6.582 26047 3206 1 7 . 1 1 67 67 SER HA H 67 4.833 4.833 4.137 0.696 26047 3207 1 7 . 1 1 67 67 SER C C 67 176.275 176.275 174.434 1.841 26047 3208 1 7 . 1 1 67 67 SER CA C 67 54.465 54.465 55.977 -1.512 26047 3209 1 7 . 1 1 67 67 SER CB C 67 65.982 65.982 64.734 1.248 26047 3210 1 7 . 1 1 67 67 SER H H 67 8.182 8.182 8.134 0.048 26047 3211 1 7 . 1 1 68 68 VAL N N 68 119.266 119.266 120.893 -1.627 26047 3212 1 7 . 1 1 68 68 VAL HA H 68 3.105 3.105 3.601 -0.496 26047 3213 1 7 . 1 1 68 68 VAL C C 68 176.390 176.390 176.732 -0.342 26047 3214 1 7 . 1 1 68 68 VAL CA C 68 67.074 67.074 64.826 2.248 26047 3215 1 7 . 1 1 68 68 VAL CB C 68 31.503 31.503 29.927 1.576 26047 3216 1 7 . 1 1 68 68 VAL H H 68 7.650 7.650 8.653 -1.003 26047 3217 1 7 . 1 1 69 69 GLY N N 69 116.900 116.900 114.794 2.106 26047 3218 1 7 . 1 1 69 69 GLY C C 69 173.934 173.934 173.677 0.257 26047 3219 1 7 . 1 1 69 69 GLY CA C 69 44.407 44.407 44.982 -0.575 26047 3220 1 7 . 1 1 69 69 GLY H H 69 8.855 8.855 8.686 0.169 26047 3221 1 7 . 1 1 70 70 GLN N N 70 123.210 123.210 120.362 2.848 26047 3222 1 7 . 1 1 70 70 GLN HA H 70 4.035 4.035 4.749 -0.714 26047 3223 1 7 . 1 1 70 70 GLN C C 70 173.663 173.663 174.363 -0.700 26047 3224 1 7 . 1 1 70 70 GLN CA C 70 55.788 55.788 54.698 1.090 26047 3225 1 7 . 1 1 70 70 GLN CB C 70 30.551 30.551 31.627 -1.076 26047 3226 1 7 . 1 1 70 70 GLN H H 70 8.607 8.607 7.902 0.705 26047 3227 1 7 . 1 1 71 71 ARG N N 71 124.586 124.586 125.445 -0.859 26047 3228 1 7 . 1 1 71 71 ARG HA H 71 5.660 5.660 4.844 0.816 26047 3229 1 7 . 1 1 71 71 ARG C C 71 175.582 175.582 173.947 1.635 26047 3230 1 7 . 1 1 71 71 ARG CA C 71 53.936 53.936 54.690 -0.754 26047 3231 1 7 . 1 1 71 71 ARG CB C 71 33.739 33.739 32.664 1.075 26047 3232 1 7 . 1 1 71 71 ARG H H 71 8.802 8.802 8.656 0.146 26047 3233 1 7 . 1 1 75 75 THR N N 75 121.856 121.856 121.043 0.813 26047 3234 1 7 . 1 1 75 75 THR HA H 75 5.052 5.052 4.769 0.283 26047 3235 1 7 . 1 1 75 75 THR C C 75 175.079 175.079 173.525 1.554 26047 3236 1 7 . 1 1 75 75 THR CA C 75 63.355 63.355 62.480 0.875 26047 3237 1 7 . 1 1 75 75 THR CB C 75 68.790 68.790 69.204 -0.414 26047 3238 1 7 . 1 1 75 75 THR H H 75 8.884 8.884 8.788 0.096 26047 3239 1 7 . 1 1 76 76 ILE N N 76 129.859 129.859 128.308 1.551 26047 3240 1 7 . 1 1 76 76 ILE HA H 76 4.680 4.680 4.721 -0.041 26047 3241 1 7 . 1 1 76 76 ILE C C 76 173.943 173.943 175.683 -1.740 26047 3242 1 7 . 1 1 76 76 ILE CA C 76 60.898 60.898 58.517 2.381 26047 3243 1 7 . 1 1 76 76 ILE CB C 76 41.236 41.236 39.228 2.008 26047 3244 1 7 . 1 1 76 76 ILE H H 76 9.864 9.864 8.895 0.969 26047 3245 1 7 . 1 1 77 77 SER N N 77 123.243 123.243 120.162 3.081 26047 3246 1 7 . 1 1 77 77 SER HA H 77 4.732 4.732 5.145 -0.413 26047 3247 1 7 . 1 1 77 77 SER C C 77 173.647 173.647 174.129 -0.482 26047 3248 1 7 . 1 1 77 77 SER CA C 77 57.726 57.726 55.402 2.324 26047 3249 1 7 . 1 1 77 77 SER CB C 77 62.763 62.763 63.500 -0.737 26047 3250 1 7 . 1 1 77 77 SER H H 77 8.612 8.612 8.326 0.286 26047 3251 1 7 . 1 1 78 78 PRO HA H 78 4.488 4.488 4.365 0.123 26047 3252 1 7 . 1 1 78 78 PRO C C 78 180.133 180.133 177.015 3.118 26047 3253 1 7 . 1 1 78 78 PRO CA C 78 65.828 65.828 65.050 0.778 26047 3254 1 7 . 1 1 78 78 PRO CB C 78 30.995 30.995 32.100 -1.105 26047 3255 1 7 . 1 1 79 79 ASP N N 79 115.934 115.934 115.775 0.159 26047 3256 1 7 . 1 1 79 79 ASP HA H 79 4.390 4.390 4.547 -0.157 26047 3257 1 7 . 1 1 79 79 ASP C C 79 176.810 176.810 177.315 -0.505 26047 3258 1 7 . 1 1 79 79 ASP CA C 79 56.159 56.159 56.201 -0.042 26047 3259 1 7 . 1 1 79 79 ASP CB C 79 39.361 39.361 41.153 -1.792 26047 3260 1 7 . 1 1 79 79 ASP H H 79 8.799 8.799 8.667 0.132 26047 3261 1 7 . 1 1 80 80 TYR N N 80 120.969 120.969 118.897 2.072 26047 3262 1 7 . 1 1 80 80 TYR HA H 80 4.377 4.377 4.427 -0.050 26047 3263 1 7 . 1 1 80 80 TYR C C 80 173.332 173.332 176.631 -3.299 26047 3264 1 7 . 1 1 80 80 TYR CA C 80 57.597 57.597 59.553 -1.956 26047 3265 1 7 . 1 1 80 80 TYR CB C 80 38.903 38.903 39.864 -0.961 26047 3266 1 7 . 1 1 80 80 TYR H H 80 8.116 8.116 7.704 0.412 26047 3267 1 7 . 1 1 81 81 ALA N N 81 125.669 125.669 122.722 2.947 26047 3268 1 7 . 1 1 81 81 ALA HA H 81 4.421 4.421 3.989 0.432 26047 3269 1 7 . 1 1 81 81 ALA C C 81 175.888 175.888 177.248 -1.360 26047 3270 1 7 . 1 1 81 81 ALA CA C 81 51.701 51.701 54.561 -2.860 26047 3271 1 7 . 1 1 81 81 ALA CB C 81 19.334 19.334 19.100 0.234 26047 3272 1 7 . 1 1 81 81 ALA H H 81 7.801 7.801 8.378 -0.577 26047 3273 1 7 . 1 1 82 82 TYR N N 82 122.080 122.080 114.780 7.300 26047 3274 1 7 . 1 1 82 82 TYR HA H 82 4.566 4.566 4.591 -0.025 26047 3275 1 7 . 1 1 82 82 TYR C C 82 176.653 176.653 176.483 0.170 26047 3276 1 7 . 1 1 82 82 TYR CA C 82 58.865 58.865 58.466 0.399 26047 3277 1 7 . 1 1 82 82 TYR CB C 82 37.995 37.995 41.716 -3.721 26047 3278 1 7 . 1 1 82 82 TYR H H 82 9.321 9.321 7.610 1.711 26047 3279 1 7 . 1 1 83 83 GLY N N 83 108.394 108.394 106.611 1.783 26047 3280 1 7 . 1 1 83 83 GLY C C 83 175.214 175.214 172.799 2.415 26047 3281 1 7 . 1 1 83 83 GLY CA C 83 46.827 46.827 45.345 1.482 26047 3282 1 7 . 1 1 83 83 GLY H H 83 8.535 8.535 7.908 0.627 26047 3283 1 7 . 1 1 84 84 ALA HA H 84 3.273 3.273 4.367 -1.094 26047 3284 1 7 . 1 1 84 84 ALA C C 84 177.536 177.536 177.846 -0.310 26047 3285 1 7 . 1 1 84 84 ALA CA C 84 53.514 53.514 53.630 -0.116 26047 3286 1 7 . 1 1 84 84 ALA CB C 84 19.318 19.318 18.813 0.505 26047 3287 1 7 . 1 1 85 85 THR N N 85 109.341 109.341 113.408 -4.067 26047 3288 1 7 . 1 1 85 85 THR HA H 85 4.038 4.038 4.227 -0.189 26047 3289 1 7 . 1 1 85 85 THR C C 85 177.149 177.149 175.110 2.039 26047 3290 1 7 . 1 1 85 85 THR CA C 85 64.040 64.040 62.255 1.785 26047 3291 1 7 . 1 1 85 85 THR CB C 85 69.466 69.466 69.656 -0.190 26047 3292 1 7 . 1 1 85 85 THR H H 85 7.927 7.927 7.974 -0.047 26047 3293 1 7 . 1 1 86 86 GLY N N 86 106.961 106.961 109.446 -2.485 26047 3294 1 7 . 1 1 86 86 GLY C C 86 171.567 171.567 172.828 -1.261 26047 3295 1 7 . 1 1 86 86 GLY CA C 86 45.151 45.151 44.505 0.646 26047 3296 1 7 . 1 1 86 86 GLY H H 86 7.341 7.341 7.647 -0.306 26047 3297 1 7 . 1 1 87 87 HIS N N 87 121.870 121.870 120.280 1.590 26047 3298 1 7 . 1 1 87 87 HIS HA H 87 4.967 4.967 4.655 0.312 26047 3299 1 7 . 1 1 87 87 HIS C C 87 172.750 172.750 173.677 -0.927 26047 3300 1 7 . 1 1 87 87 HIS CA C 87 53.029 53.029 52.647 0.382 26047 3301 1 7 . 1 1 87 87 HIS CB C 87 32.349 32.349 30.612 1.737 26047 3302 1 7 . 1 1 87 87 HIS H H 87 8.799 8.799 8.016 0.783 26047 3303 1 7 . 1 1 88 88 PRO HA H 88 4.132 4.132 4.303 -0.171 26047 3304 1 7 . 1 1 88 88 PRO C C 88 176.585 176.585 177.442 -0.857 26047 3305 1 7 . 1 1 88 88 PRO CA C 88 65.123 65.123 63.683 1.440 26047 3306 1 7 . 1 1 88 88 PRO CB C 88 31.851 31.851 31.737 0.114 26047 3307 1 7 . 1 1 89 89 GLY N N 89 113.445 113.445 113.167 0.278 26047 3308 1 7 . 1 1 89 89 GLY C C 89 174.030 174.030 174.699 -0.669 26047 3309 1 7 . 1 1 89 89 GLY CA C 89 45.251 45.251 45.141 0.110 26047 3310 1 7 . 1 1 89 89 GLY H H 89 8.571 8.571 8.704 -0.133 26047 3311 1 7 . 1 1 90 90 ILE N N 90 118.128 118.128 121.042 -2.914 26047 3312 1 7 . 1 1 90 90 ILE HA H 90 4.252 4.252 4.220 0.032 26047 3313 1 7 . 1 1 90 90 ILE C C 90 174.403 174.403 175.910 -1.507 26047 3314 1 7 . 1 1 90 90 ILE CA C 90 62.855 62.855 62.514 0.341 26047 3315 1 7 . 1 1 90 90 ILE CB C 90 41.565 41.565 39.072 2.493 26047 3316 1 7 . 1 1 90 90 ILE H H 90 8.103 8.103 7.600 0.503 26047 3317 1 7 . 1 1 91 91 ILE N N 91 119.444 119.444 120.177 -0.733 26047 3318 1 7 . 1 1 91 91 ILE HA H 91 4.506 4.506 4.303 0.203 26047 3319 1 7 . 1 1 91 91 ILE C C 91 174.345 174.345 173.940 0.405 26047 3320 1 7 . 1 1 91 91 ILE CA C 91 56.335 56.335 57.043 -0.708 26047 3321 1 7 . 1 1 91 91 ILE CB C 91 40.719 40.719 36.526 4.193 26047 3322 1 7 . 1 1 91 91 ILE H H 91 8.241 8.241 7.560 0.681 26047 3323 1 7 . 1 1 92 92 PRO HA H 92 4.717 4.717 4.659 0.058 26047 3324 1 7 . 1 1 92 92 PRO CB C 92 31.011 31.011 31.294 -0.283 26047 3325 1 7 . 1 1 93 93 PRO HA H 93 3.617 3.617 4.313 -0.696 26047 3326 1 7 . 1 1 93 93 PRO C C 93 175.714 175.714 176.985 -1.271 26047 3327 1 7 . 1 1 93 93 PRO CA C 93 63.618 63.618 63.080 0.538 26047 3328 1 7 . 1 1 93 93 PRO CB C 93 33.171 33.171 32.390 0.781 26047 3329 1 7 . 1 1 94 94 HIS N N 94 115.851 115.851 116.490 -0.639 26047 3330 1 7 . 1 1 94 94 HIS HA H 94 3.804 3.804 4.161 -0.357 26047 3331 1 7 . 1 1 94 94 HIS C C 94 173.821 173.821 173.763 0.058 26047 3332 1 7 . 1 1 94 94 HIS CA C 94 57.145 57.145 57.568 -0.423 26047 3333 1 7 . 1 1 94 94 HIS CB C 94 27.977 27.977 27.739 0.238 26047 3334 1 7 . 1 1 94 94 HIS H H 94 7.934 7.934 8.522 -0.588 26047 3335 1 7 . 1 1 95 95 ALA N N 95 122.072 122.072 120.720 1.352 26047 3336 1 7 . 1 1 95 95 ALA HA H 95 4.459 4.459 4.681 -0.222 26047 3337 1 7 . 1 1 95 95 ALA C C 95 177.246 177.246 175.663 1.583 26047 3338 1 7 . 1 1 95 95 ALA CA C 95 52.728 52.728 50.868 1.860 26047 3339 1 7 . 1 1 95 95 ALA CB C 95 20.567 20.567 21.869 -1.302 26047 3340 1 7 . 1 1 95 95 ALA H H 95 7.706 7.706 7.738 -0.032 26047 3341 1 7 . 1 1 96 96 THR N N 96 122.875 122.875 119.691 3.184 26047 3342 1 7 . 1 1 96 96 THR HA H 96 4.650 4.650 4.375 0.275 26047 3343 1 7 . 1 1 96 96 THR C C 96 173.818 173.818 173.797 0.021 26047 3344 1 7 . 1 1 96 96 THR CA C 96 63.778 63.778 63.527 0.251 26047 3345 1 7 . 1 1 96 96 THR CB C 96 69.588 69.588 69.788 -0.200 26047 3346 1 7 . 1 1 96 96 THR H H 96 8.448 8.448 8.205 0.243 26047 3347 1 7 . 1 1 97 97 LEU N N 97 124.809 124.809 125.103 -0.294 26047 3348 1 7 . 1 1 97 97 LEU HA H 97 5.110 5.110 4.704 0.406 26047 3349 1 7 . 1 1 97 97 LEU C C 97 175.041 175.041 175.180 -0.139 26047 3350 1 7 . 1 1 97 97 LEU CA C 97 52.832 52.832 53.962 -1.130 26047 3351 1 7 . 1 1 97 97 LEU CB C 97 46.391 46.391 45.505 0.886 26047 3352 1 7 . 1 1 97 97 LEU H H 97 8.725 8.725 8.987 -0.262 26047 3353 1 7 . 1 1 98 98 VAL N N 98 121.081 121.081 119.164 1.917 26047 3354 1 7 . 1 1 98 98 VAL HA H 98 5.215 5.215 4.521 0.694 26047 3355 1 7 . 1 1 98 98 VAL C C 98 175.150 175.150 174.535 0.615 26047 3356 1 7 . 1 1 98 98 VAL CA C 98 60.662 60.662 61.673 -1.011 26047 3357 1 7 . 1 1 98 98 VAL CB C 98 34.355 34.355 33.842 0.513 26047 3358 1 7 . 1 1 98 98 VAL H H 98 8.692 8.692 8.523 0.169 26047 3359 1 7 . 1 1 99 99 PHE N N 99 123.638 123.638 125.793 -2.155 26047 3360 1 7 . 1 1 99 99 PHE HA H 99 5.754 5.754 5.638 0.116 26047 3361 1 7 . 1 1 99 99 PHE C C 99 174.328 174.328 174.098 0.230 26047 3362 1 7 . 1 1 99 99 PHE CA C 99 55.196 55.196 56.579 -1.383 26047 3363 1 7 . 1 1 99 99 PHE CB C 99 43.396 43.396 43.798 -0.402 26047 3364 1 7 . 1 1 99 99 PHE H H 99 9.724 9.724 9.287 0.437 26047 3365 1 7 . 1 1 100 100 ASP N N 100 124.358 124.358 124.458 -0.100 26047 3366 1 7 . 1 1 100 100 ASP HA H 100 5.164 5.164 5.056 0.108 26047 3367 1 7 . 1 1 100 100 ASP C C 100 176.946 176.946 175.421 1.525 26047 3368 1 7 . 1 1 100 100 ASP CA C 100 52.778 52.778 53.346 -0.568 26047 3369 1 7 . 1 1 100 100 ASP CB C 100 42.320 42.320 43.212 -0.892 26047 3370 1 7 . 1 1 100 100 ASP H H 100 8.775 8.775 8.604 0.171 26047 3371 1 7 . 1 1 101 101 VAL N N 101 126.428 126.428 120.441 5.987 26047 3372 1 7 . 1 1 101 101 VAL HA H 101 5.057 5.057 5.400 -0.343 26047 3373 1 7 . 1 1 101 101 VAL C C 101 172.620 172.620 173.975 -1.355 26047 3374 1 7 . 1 1 101 101 VAL CA C 101 61.041 61.041 59.261 1.780 26047 3375 1 7 . 1 1 101 101 VAL CB C 101 35.481 35.481 34.956 0.525 26047 3376 1 7 . 1 1 101 101 VAL H H 101 9.513 9.513 7.709 1.804 26047 3377 1 7 . 1 1 102 102 GLU N N 102 128.393 128.393 121.248 7.145 26047 3378 1 7 . 1 1 102 102 GLU HA H 102 5.392 5.392 4.913 0.479 26047 3379 1 7 . 1 1 102 102 GLU C C 102 175.174 175.174 175.093 0.081 26047 3380 1 7 . 1 1 102 102 GLU CA C 102 53.979 53.979 53.843 0.136 26047 3381 1 7 . 1 1 102 102 GLU CB C 102 33.852 33.852 32.783 1.069 26047 3382 1 7 . 1 1 102 102 GLU H H 102 9.285 9.285 8.209 1.076 26047 3383 1 7 . 1 1 103 103 LEU N N 103 128.290 128.290 125.570 2.720 26047 3384 1 7 . 1 1 103 103 LEU HA H 103 4.671 4.671 4.317 0.354 26047 3385 1 7 . 1 1 103 103 LEU C C 103 174.266 174.266 175.862 -1.596 26047 3386 1 7 . 1 1 103 103 LEU CA C 103 54.356 54.356 54.699 -0.343 26047 3387 1 7 . 1 1 103 103 LEU CB C 103 41.465 41.465 40.551 0.914 26047 3388 1 7 . 1 1 103 103 LEU H H 103 8.613 8.613 8.811 -0.198 26047 3389 1 8 . 1 1 -2 -2 PRO HA H -2 4.485 4.485 4.698 -0.213 26047 3390 1 8 . 1 1 -2 -2 PRO C C -2 176.570 176.570 176.332 0.238 26047 3391 1 8 . 1 1 -2 -2 PRO CA C -2 63.243 63.243 62.392 0.851 26047 3392 1 8 . 1 1 -2 -2 PRO CB C -2 32.290 32.290 32.759 -0.469 26047 3393 1 8 . 1 1 -1 -1 SER N N -1 116.659 116.659 116.700 -0.041 26047 3394 1 8 . 1 1 -1 -1 SER HA H -1 4.422 4.422 4.749 -0.327 26047 3395 1 8 . 1 1 -1 -1 SER C C -1 174.384 174.384 174.279 0.105 26047 3396 1 8 . 1 1 -1 -1 SER CA C -1 58.230 58.230 58.009 0.221 26047 3397 1 8 . 1 1 -1 -1 SER CB C -1 63.838 63.838 64.924 -1.086 26047 3398 1 8 . 1 1 -1 -1 SER H H -1 8.542 8.542 8.437 0.105 26047 3399 1 8 . 1 1 0 0 MET N N 0 122.115 122.115 123.082 -0.967 26047 3400 1 8 . 1 1 0 0 MET HA H 0 4.441 4.441 4.706 -0.265 26047 3401 1 8 . 1 1 0 0 MET C C 0 176.182 176.182 176.511 -0.329 26047 3402 1 8 . 1 1 0 0 MET CA C 0 55.346 55.346 55.524 -0.178 26047 3403 1 8 . 1 1 0 0 MET CB C 0 33.248 33.248 34.170 -0.922 26047 3404 1 8 . 1 1 0 0 MET H H 0 8.356 8.356 8.622 -0.266 26047 3405 1 8 . 1 1 1 1 GLY N N 1 110.724 110.724 110.622 0.102 26047 3406 1 8 . 1 1 1 1 GLY C C 1 172.468 172.468 172.277 0.191 26047 3407 1 8 . 1 1 1 1 GLY CA C 1 45.585 45.585 44.803 0.781 26047 3408 1 8 . 1 1 1 1 GLY H H 1 8.157 8.157 8.023 0.134 26047 3409 1 8 . 1 1 2 2 VAL N N 2 117.765 117.765 119.463 -1.698 26047 3410 1 8 . 1 1 2 2 VAL HA H 2 4.889 4.889 5.287 -0.398 26047 3411 1 8 . 1 1 2 2 VAL C C 2 173.396 173.396 174.116 -0.720 26047 3412 1 8 . 1 1 2 2 VAL CA C 2 59.731 59.731 60.047 -0.316 26047 3413 1 8 . 1 1 2 2 VAL CB C 2 34.600 34.600 34.291 0.309 26047 3414 1 8 . 1 1 2 2 VAL H H 2 7.471 7.471 7.271 0.200 26047 3415 1 8 . 1 1 3 3 GLN N N 3 126.962 126.962 128.751 -1.789 26047 3416 1 8 . 1 1 3 3 GLN HA H 3 4.686 4.686 4.631 0.055 26047 3417 1 8 . 1 1 3 3 GLN C C 3 174.658 174.658 174.459 0.199 26047 3418 1 8 . 1 1 3 3 GLN CA C 3 54.379 54.379 54.637 -0.258 26047 3419 1 8 . 1 1 3 3 GLN CB C 3 31.669 31.669 31.045 0.624 26047 3420 1 8 . 1 1 3 3 GLN H H 3 8.514 8.514 8.144 0.370 26047 3421 1 8 . 1 1 4 4 VAL N N 4 125.396 125.396 125.169 0.227 26047 3422 1 8 . 1 1 4 4 VAL HA H 4 4.520 4.520 4.328 0.192 26047 3423 1 8 . 1 1 4 4 VAL C C 4 175.411 175.411 175.356 0.055 26047 3424 1 8 . 1 1 4 4 VAL CA C 4 61.993 61.993 61.689 0.304 26047 3425 1 8 . 1 1 4 4 VAL CB C 4 33.355 33.355 32.861 0.494 26047 3426 1 8 . 1 1 4 4 VAL H H 4 8.823 8.823 8.645 0.178 26047 3427 1 8 . 1 1 5 5 GLU N N 5 128.706 128.706 128.128 0.578 26047 3428 1 8 . 1 1 5 5 GLU HA H 5 4.782 4.782 4.617 0.165 26047 3429 1 8 . 1 1 5 5 GLU C C 5 175.830 175.830 175.604 0.226 26047 3430 1 8 . 1 1 5 5 GLU CA C 5 54.451 54.451 54.638 -0.187 26047 3431 1 8 . 1 1 5 5 GLU CB C 5 32.818 32.818 31.150 1.668 26047 3432 1 8 . 1 1 5 5 GLU H H 5 9.024 9.024 8.710 0.314 26047 3433 1 8 . 1 1 6 6 THR N N 6 124.408 124.408 120.280 4.128 26047 3434 1 8 . 1 1 6 6 THR HA H 6 3.898 3.898 4.225 -0.327 26047 3435 1 8 . 1 1 6 6 THR C C 6 173.675 173.675 174.179 -0.504 26047 3436 1 8 . 1 1 6 6 THR CA C 6 66.715 66.715 63.850 2.865 26047 3437 1 8 . 1 1 6 6 THR CB C 6 68.934 68.934 69.154 -0.220 26047 3438 1 8 . 1 1 6 6 THR H H 6 9.173 9.173 8.704 0.469 26047 3439 1 8 . 1 1 7 7 ILE N N 7 129.476 129.476 127.396 2.080 26047 3440 1 8 . 1 1 7 7 ILE HA H 7 4.071 4.071 4.292 -0.221 26047 3441 1 8 . 1 1 7 7 ILE C C 7 175.768 175.768 176.400 -0.632 26047 3442 1 8 . 1 1 7 7 ILE CA C 7 63.285 63.285 61.973 1.312 26047 3443 1 8 . 1 1 7 7 ILE CB C 7 39.659 39.659 39.370 0.289 26047 3444 1 8 . 1 1 7 7 ILE H H 7 9.329 9.329 8.995 0.334 26047 3445 1 8 . 1 1 8 8 SER N N 8 114.774 114.774 115.403 -0.629 26047 3446 1 8 . 1 1 8 8 SER HA H 8 4.987 4.987 4.951 0.036 26047 3447 1 8 . 1 1 8 8 SER C C 8 171.895 171.895 172.209 -0.314 26047 3448 1 8 . 1 1 8 8 SER CA C 8 55.577 55.577 54.903 0.674 26047 3449 1 8 . 1 1 8 8 SER CB C 8 64.384 64.384 64.814 -0.430 26047 3450 1 8 . 1 1 8 8 SER H H 8 8.300 8.300 7.993 0.307 26047 3451 1 8 . 1 1 9 9 PRO HA H 9 4.331 4.331 4.602 -0.271 26047 3452 1 8 . 1 1 9 9 PRO C C 9 177.628 177.628 176.674 0.954 26047 3453 1 8 . 1 1 9 9 PRO CA C 9 63.646 63.646 62.458 1.188 26047 3454 1 8 . 1 1 9 9 PRO CB C 9 32.910 32.910 32.792 0.118 26047 3455 1 8 . 1 1 10 10 GLY N N 10 107.910 107.910 112.158 -4.248 26047 3456 1 8 . 1 1 10 10 GLY C C 10 174.203 174.203 174.054 0.149 26047 3457 1 8 . 1 1 10 10 GLY CA C 10 44.176 44.176 45.080 -0.904 26047 3458 1 8 . 1 1 10 10 GLY H H 10 8.464 8.464 8.124 0.340 26047 3459 1 8 . 1 1 11 11 ASP N N 11 118.911 118.911 121.589 -2.678 26047 3460 1 8 . 1 1 11 11 ASP HA H 11 4.289 4.289 4.566 -0.277 26047 3461 1 8 . 1 1 11 11 ASP C C 11 178.317 178.317 177.381 0.936 26047 3462 1 8 . 1 1 11 11 ASP CA C 11 54.629 54.629 54.837 -0.208 26047 3463 1 8 . 1 1 11 11 ASP CB C 11 39.382 39.382 42.045 -2.663 26047 3464 1 8 . 1 1 11 11 ASP H H 11 8.049 8.049 7.929 0.120 26047 3465 1 8 . 1 1 12 12 GLY N N 12 108.262 108.262 107.449 0.813 26047 3466 1 8 . 1 1 12 12 GLY C C 12 173.279 173.279 174.439 -1.160 26047 3467 1 8 . 1 1 12 12 GLY CA C 12 46.049 46.049 45.804 0.245 26047 3468 1 8 . 1 1 12 12 GLY H H 12 8.719 8.719 8.107 0.612 26047 3469 1 8 . 1 1 13 13 ARG N N 13 117.671 117.671 116.555 1.116 26047 3470 1 8 . 1 1 13 13 ARG HA H 13 4.709 4.709 4.645 0.064 26047 3471 1 8 . 1 1 13 13 ARG C C 13 175.038 175.038 175.074 -0.036 26047 3472 1 8 . 1 1 13 13 ARG CA C 13 56.794 56.794 55.702 1.093 26047 3473 1 8 . 1 1 13 13 ARG CB C 13 34.416 34.416 31.528 2.888 26047 3474 1 8 . 1 1 13 13 ARG H H 13 8.539 8.539 8.033 0.506 26047 3475 1 8 . 1 1 14 14 THR N N 14 125.323 125.323 118.745 6.578 26047 3476 1 8 . 1 1 14 14 THR HA H 14 4.205 4.205 4.594 -0.389 26047 3477 1 8 . 1 1 14 14 THR C C 14 172.353 172.353 172.887 -0.534 26047 3478 1 8 . 1 1 14 14 THR CA C 14 62.060 62.060 61.059 1.000 26047 3479 1 8 . 1 1 14 14 THR CB C 14 66.395 66.395 69.270 -2.875 26047 3480 1 8 . 1 1 14 14 THR H H 14 10.197 10.197 7.610 2.587 26047 3481 1 8 . 1 1 15 15 PHE N N 15 124.865 124.865 126.529 -1.664 26047 3482 1 8 . 1 1 15 15 PHE HA H 15 5.232 5.232 5.109 0.123 26047 3483 1 8 . 1 1 15 15 PHE C C 15 174.388 174.388 174.813 -0.425 26047 3484 1 8 . 1 1 15 15 PHE CA C 15 54.495 54.495 54.901 -0.406 26047 3485 1 8 . 1 1 15 15 PHE CB C 15 39.883 39.883 39.223 0.660 26047 3486 1 8 . 1 1 15 15 PHE H H 15 8.086 8.086 8.732 -0.646 26047 3487 1 8 . 1 1 19 19 GLY N N 19 112.901 112.901 112.969 -0.068 26047 3488 1 8 . 1 1 19 19 GLY C C 19 174.204 174.204 173.407 0.797 26047 3489 1 8 . 1 1 19 19 GLY CA C 19 44.943 44.943 45.387 -0.444 26047 3490 1 8 . 1 1 19 19 GLY H H 19 8.682 8.682 8.498 0.184 26047 3491 1 8 . 1 1 20 20 GLN N N 20 118.698 118.698 119.722 -1.024 26047 3492 1 8 . 1 1 20 20 GLN HA H 20 4.497 4.497 4.719 -0.222 26047 3493 1 8 . 1 1 20 20 GLN C C 20 174.974 174.974 174.391 0.583 26047 3494 1 8 . 1 1 20 20 GLN CA C 20 56.335 56.335 53.548 2.787 26047 3495 1 8 . 1 1 20 20 GLN CB C 20 30.891 30.891 29.893 0.998 26047 3496 1 8 . 1 1 20 20 GLN H H 20 8.103 8.103 7.984 0.119 26047 3497 1 8 . 1 1 21 21 THR N N 21 119.715 119.715 116.477 3.238 26047 3498 1 8 . 1 1 21 21 THR HA H 21 4.457 4.457 4.871 -0.414 26047 3499 1 8 . 1 1 21 21 THR C C 21 173.797 173.797 174.337 -0.540 26047 3500 1 8 . 1 1 21 21 THR CA C 21 63.067 63.067 62.270 0.797 26047 3501 1 8 . 1 1 21 21 THR CB C 21 68.825 68.825 69.541 -0.716 26047 3502 1 8 . 1 1 21 21 THR H H 21 8.729 8.729 8.462 0.267 26047 3503 1 8 . 1 1 22 22 CYS N N 22 126.008 126.008 125.301 0.707 26047 3504 1 8 . 1 1 22 22 CYS HA H 22 4.269 4.269 4.689 -0.420 26047 3505 1 8 . 1 1 22 22 CYS C C 22 172.458 172.458 173.493 -1.035 26047 3506 1 8 . 1 1 22 22 CYS CA C 22 58.011 58.011 57.749 0.262 26047 3507 1 8 . 1 1 22 22 CYS CB C 22 28.794 28.794 29.416 -0.622 26047 3508 1 8 . 1 1 22 22 CYS H H 22 8.826 8.826 8.540 0.286 26047 3509 1 8 . 1 1 23 23 VAL N N 23 123.456 123.456 128.027 -4.571 26047 3510 1 8 . 1 1 23 23 VAL HA H 23 4.595 4.595 4.282 0.313 26047 3511 1 8 . 1 1 23 23 VAL C C 23 175.899 175.899 174.874 1.025 26047 3512 1 8 . 1 1 23 23 VAL CA C 23 61.411 61.411 62.384 -0.973 26047 3513 1 8 . 1 1 23 23 VAL CB C 23 31.277 31.277 31.182 0.095 26047 3514 1 8 . 1 1 23 23 VAL H H 23 8.063 8.063 8.920 -0.857 26047 3515 1 8 . 1 1 24 24 VAL N N 24 118.126 118.126 121.591 -3.465 26047 3516 1 8 . 1 1 24 24 VAL HA H 24 5.852 5.852 5.027 0.825 26047 3517 1 8 . 1 1 24 24 VAL C C 24 175.589 175.589 174.333 1.256 26047 3518 1 8 . 1 1 24 24 VAL CA C 24 57.962 57.962 59.255 -1.293 26047 3519 1 8 . 1 1 24 24 VAL CB C 24 35.885 35.885 35.700 0.185 26047 3520 1 8 . 1 1 24 24 VAL H H 24 9.620 9.620 8.868 0.752 26047 3521 1 8 . 1 1 25 25 HIS N N 25 118.824 118.824 123.262 -4.438 26047 3522 1 8 . 1 1 25 25 HIS HA H 25 5.865 5.865 5.243 0.622 26047 3523 1 8 . 1 1 25 25 HIS C C 25 176.663 176.663 174.912 1.751 26047 3524 1 8 . 1 1 25 25 HIS CA C 25 54.463 54.463 55.298 -0.835 26047 3525 1 8 . 1 1 25 25 HIS CB C 25 35.454 35.454 31.859 3.595 26047 3526 1 8 . 1 1 25 25 HIS H H 25 8.579 8.579 8.222 0.357 26047 3527 1 8 . 1 1 26 26 TYR N N 26 118.524 118.524 123.347 -4.823 26047 3528 1 8 . 1 1 26 26 TYR HA H 26 6.441 6.441 5.646 0.795 26047 3529 1 8 . 1 1 26 26 TYR C C 26 173.864 173.864 174.678 -0.814 26047 3530 1 8 . 1 1 26 26 TYR CA C 26 55.934 55.934 55.172 0.762 26047 3531 1 8 . 1 1 26 26 TYR CB C 26 44.380 44.380 40.980 3.400 26047 3532 1 8 . 1 1 26 26 TYR H H 26 9.937 9.937 9.129 0.808 26047 3533 1 8 . 1 1 27 27 THR N N 27 117.098 117.098 114.818 2.280 26047 3534 1 8 . 1 1 27 27 THR HA H 27 4.482 4.482 4.410 0.071 26047 3535 1 8 . 1 1 27 27 THR C C 27 172.648 172.648 173.493 -0.845 26047 3536 1 8 . 1 1 27 27 THR CA C 27 63.163 63.163 62.052 1.111 26047 3537 1 8 . 1 1 27 27 THR CB C 27 72.324 72.324 70.012 2.312 26047 3538 1 8 . 1 1 27 27 THR H H 27 8.716 8.716 8.729 -0.013 26047 3539 1 8 . 1 1 28 28 GLY N N 28 115.590 115.590 114.066 1.524 26047 3540 1 8 . 1 1 28 28 GLY C C 28 171.083 171.083 171.425 -0.342 26047 3541 1 8 . 1 1 28 28 GLY CA C 28 45.419 45.419 43.410 2.009 26047 3542 1 8 . 1 1 28 28 GLY H H 28 9.316 9.316 9.056 0.260 26047 3543 1 8 . 1 1 29 29 MET N N 29 125.723 125.723 124.271 1.452 26047 3544 1 8 . 1 1 29 29 MET HA H 29 5.251 5.251 4.546 0.705 26047 3545 1 8 . 1 1 29 29 MET C C 29 175.508 175.508 175.498 0.010 26047 3546 1 8 . 1 1 29 29 MET CA C 29 54.221 54.221 54.160 0.061 26047 3547 1 8 . 1 1 29 29 MET CB C 29 37.913 37.913 36.846 1.067 26047 3548 1 8 . 1 1 29 29 MET H H 29 9.192 9.192 8.757 0.435 26047 3549 1 8 . 1 1 30 30 LEU N N 30 119.150 119.150 123.363 -4.213 26047 3550 1 8 . 1 1 30 30 LEU HA H 30 4.772 4.772 4.240 0.532 26047 3551 1 8 . 1 1 30 30 LEU C C 30 179.278 179.278 178.727 0.551 26047 3552 1 8 . 1 1 30 30 LEU CA C 30 54.169 54.169 55.977 -1.808 26047 3553 1 8 . 1 1 30 30 LEU CB C 30 41.634 41.634 42.611 -0.977 26047 3554 1 8 . 1 1 30 30 LEU H H 30 8.433 8.433 8.786 -0.353 26047 3555 1 8 . 1 1 31 31 GLU N N 31 120.636 120.636 120.957 -0.321 26047 3556 1 8 . 1 1 31 31 GLU HA H 31 3.816 3.816 4.005 -0.189 26047 3557 1 8 . 1 1 31 31 GLU C C 31 176.568 176.568 177.417 -0.849 26047 3558 1 8 . 1 1 31 31 GLU CA C 31 59.788 59.788 59.237 0.551 26047 3559 1 8 . 1 1 31 31 GLU CB C 31 29.883 29.883 29.695 0.188 26047 3560 1 8 . 1 1 31 31 GLU H H 31 9.110 9.110 9.011 0.099 26047 3561 1 8 . 1 1 32 32 ASP N N 32 115.429 115.429 115.220 0.209 26047 3562 1 8 . 1 1 32 32 ASP HA H 32 4.420 4.420 4.697 -0.277 26047 3563 1 8 . 1 1 32 32 ASP C C 32 177.209 177.209 176.257 0.952 26047 3564 1 8 . 1 1 32 32 ASP CA C 32 53.556 53.556 54.420 -0.864 26047 3565 1 8 . 1 1 32 32 ASP CB C 32 40.030 40.030 41.532 -1.502 26047 3566 1 8 . 1 1 32 32 ASP H H 32 7.826 7.826 8.305 -0.479 26047 3567 1 8 . 1 1 37 37 ASP N N 37 118.871 118.871 122.182 -3.311 26047 3568 1 8 . 1 1 37 37 ASP HA H 37 4.827 4.827 4.676 0.151 26047 3569 1 8 . 1 1 37 37 ASP C C 37 174.807 174.807 173.859 0.948 26047 3570 1 8 . 1 1 37 37 ASP CA C 37 54.739 54.739 55.414 -0.675 26047 3571 1 8 . 1 1 37 37 ASP CB C 37 44.386 44.386 43.525 0.861 26047 3572 1 8 . 1 1 37 37 ASP H H 37 6.765 6.765 7.718 -0.953 26047 3573 1 8 . 1 1 38 38 SER N N 38 118.532 118.532 119.339 -0.807 26047 3574 1 8 . 1 1 38 38 SER HA H 38 4.581 4.581 4.748 -0.167 26047 3575 1 8 . 1 1 38 38 SER C C 38 174.967 174.967 175.146 -0.179 26047 3576 1 8 . 1 1 38 38 SER CA C 38 57.033 57.033 56.726 0.307 26047 3577 1 8 . 1 1 38 38 SER CB C 38 64.862 64.862 65.347 -0.485 26047 3578 1 8 . 1 1 38 38 SER H H 38 8.196 8.196 8.379 -0.183 26047 3579 1 8 . 1 1 39 39 SER N N 39 124.920 124.920 122.479 2.441 26047 3580 1 8 . 1 1 39 39 SER HA H 39 4.131 4.131 4.441 -0.310 26047 3581 1 8 . 1 1 39 39 SER C C 39 177.101 177.101 176.489 0.612 26047 3582 1 8 . 1 1 39 39 SER CA C 39 61.690 61.690 60.202 1.488 26047 3583 1 8 . 1 1 39 39 SER CB C 39 61.632 61.632 63.331 -1.699 26047 3584 1 8 . 1 1 39 39 SER H H 39 7.872 7.872 8.175 -0.303 26047 3585 1 8 . 1 1 40 40 ARG N N 40 124.309 124.309 120.315 3.994 26047 3586 1 8 . 1 1 40 40 ARG HA H 40 3.607 3.607 4.283 -0.676 26047 3587 1 8 . 1 1 40 40 ARG C C 40 179.844 179.844 178.423 1.421 26047 3588 1 8 . 1 1 40 40 ARG CA C 40 58.859 58.859 58.149 0.710 26047 3589 1 8 . 1 1 40 40 ARG CB C 40 28.763 28.763 29.325 -0.562 26047 3590 1 8 . 1 1 40 40 ARG H H 40 7.617 7.617 7.702 -0.085 26047 3591 1 8 . 1 1 41 41 ASP N N 41 118.394 118.394 120.881 -2.487 26047 3592 1 8 . 1 1 41 41 ASP HA H 41 4.314 4.314 4.471 -0.157 26047 3593 1 8 . 1 1 41 41 ASP C C 41 176.750 176.750 177.177 -0.427 26047 3594 1 8 . 1 1 41 41 ASP CA C 41 56.536 56.536 56.628 -0.092 26047 3595 1 8 . 1 1 41 41 ASP CB C 41 40.095 40.095 40.882 -0.787 26047 3596 1 8 . 1 1 41 41 ASP H H 41 7.079 7.079 8.009 -0.930 26047 3597 1 8 . 1 1 42 42 ARG N N 42 115.037 115.037 116.971 -1.934 26047 3598 1 8 . 1 1 42 42 ARG HA H 42 4.431 4.431 4.456 -0.025 26047 3599 1 8 . 1 1 42 42 ARG C C 42 175.430 175.430 175.600 -0.170 26047 3600 1 8 . 1 1 42 42 ARG CA C 42 56.099 56.099 55.710 0.389 26047 3601 1 8 . 1 1 42 42 ARG CB C 42 31.577 31.577 30.732 0.845 26047 3602 1 8 . 1 1 42 42 ARG H H 42 6.859 6.859 7.849 -0.990 26047 3603 1 8 . 1 1 49 49 MET N N 49 123.105 123.105 120.370 2.735 26047 3604 1 8 . 1 1 49 49 MET HA H 49 4.681 4.681 5.021 -0.340 26047 3605 1 8 . 1 1 49 49 MET C C 49 176.492 176.492 175.065 1.427 26047 3606 1 8 . 1 1 49 49 MET CA C 49 54.487 54.487 54.578 -0.091 26047 3607 1 8 . 1 1 49 49 MET CB C 49 33.755 33.755 35.382 -1.627 26047 3608 1 8 . 1 1 49 49 MET H H 49 9.261 9.261 8.645 0.616 26047 3609 1 8 . 1 1 50 50 LEU N N 50 131.689 131.689 123.665 8.024 26047 3610 1 8 . 1 1 50 50 LEU HA H 50 4.210 4.210 4.709 -0.499 26047 3611 1 8 . 1 1 50 50 LEU C C 50 177.825 177.825 177.982 -0.157 26047 3612 1 8 . 1 1 50 50 LEU CA C 50 57.249 57.249 54.220 3.029 26047 3613 1 8 . 1 1 50 50 LEU CB C 50 41.752 41.752 41.489 0.264 26047 3614 1 8 . 1 1 50 50 LEU H H 50 8.633 8.633 7.784 0.849 26047 3615 1 8 . 1 1 54 54 GLU N N 54 117.417 117.417 119.246 -1.829 26047 3616 1 8 . 1 1 54 54 GLU HA H 54 4.220 4.220 4.259 -0.039 26047 3617 1 8 . 1 1 54 54 GLU C C 54 176.221 176.221 176.013 0.208 26047 3618 1 8 . 1 1 54 54 GLU CA C 54 57.447 57.447 57.778 -0.331 26047 3619 1 8 . 1 1 54 54 GLU CB C 54 31.200 31.200 30.506 0.694 26047 3620 1 8 . 1 1 54 54 GLU H H 54 9.389 9.389 8.825 0.564 26047 3621 1 8 . 1 1 55 55 VAL N N 55 108.426 108.426 112.682 -4.256 26047 3622 1 8 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.263 0.051 26047 3623 1 8 . 1 1 55 55 VAL C C 55 175.226 175.226 174.589 0.637 26047 3624 1 8 . 1 1 55 55 VAL CA C 55 57.461 57.461 59.472 -2.011 26047 3625 1 8 . 1 1 55 55 VAL CB C 55 35.557 35.557 34.192 1.365 26047 3626 1 8 . 1 1 55 55 VAL H H 55 6.820 6.820 7.219 -0.399 26047 3627 1 8 . 1 1 56 56 ILE N N 56 111.618 111.618 113.896 -2.278 26047 3628 1 8 . 1 1 56 56 ILE HA H 56 3.853 3.853 4.110 -0.257 26047 3629 1 8 . 1 1 56 56 ILE C C 56 177.344 177.344 176.120 1.224 26047 3630 1 8 . 1 1 56 56 ILE CA C 56 61.975 61.975 60.392 1.583 26047 3631 1 8 . 1 1 56 56 ILE CB C 56 38.342 38.342 38.339 0.003 26047 3632 1 8 . 1 1 56 56 ILE H H 56 7.404 7.404 7.475 -0.071 26047 3633 1 8 . 1 1 57 57 ARG N N 57 124.436 124.436 123.708 0.728 26047 3634 1 8 . 1 1 57 57 ARG HA H 57 4.063 4.063 4.013 0.050 26047 3635 1 8 . 1 1 57 57 ARG C C 57 179.428 179.428 178.550 0.878 26047 3636 1 8 . 1 1 57 57 ARG CA C 57 59.838 59.838 59.664 0.174 26047 3637 1 8 . 1 1 57 57 ARG CB C 57 30.630 30.630 30.183 0.447 26047 3638 1 8 . 1 1 57 57 ARG H H 57 8.631 8.631 8.462 0.169 26047 3639 1 8 . 1 1 58 58 GLY N N 58 107.151 107.151 105.030 2.121 26047 3640 1 8 . 1 1 58 58 GLY C C 58 175.210 175.210 175.459 -0.249 26047 3641 1 8 . 1 1 58 58 GLY CA C 58 47.621 47.621 46.679 0.941 26047 3642 1 8 . 1 1 58 58 GLY H H 58 9.688 9.688 7.974 1.714 26047 3643 1 8 . 1 1 59 59 TRP N N 59 119.956 119.956 121.452 -1.496 26047 3644 1 8 . 1 1 59 59 TRP HA H 59 4.227 4.227 4.526 -0.299 26047 3645 1 8 . 1 1 59 59 TRP C C 59 177.529 177.529 178.602 -1.073 26047 3646 1 8 . 1 1 59 59 TRP CA C 59 59.681 59.681 58.656 1.025 26047 3647 1 8 . 1 1 59 59 TRP CB C 59 29.092 29.092 29.391 -0.299 26047 3648 1 8 . 1 1 59 59 TRP H H 59 7.534 7.534 7.494 0.040 26047 3649 1 8 . 1 1 60 60 GLU N N 60 118.374 118.374 119.065 -0.691 26047 3650 1 8 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.212 -0.322 26047 3651 1 8 . 1 1 60 60 GLU C C 60 178.377 178.377 179.335 -0.958 26047 3652 1 8 . 1 1 60 60 GLU CA C 60 61.081 61.081 59.973 1.108 26047 3653 1 8 . 1 1 60 60 GLU CB C 60 29.417 29.417 29.494 -0.077 26047 3654 1 8 . 1 1 60 60 GLU H H 60 7.275 7.275 7.966 -0.691 26047 3655 1 8 . 1 1 61 61 GLU N N 61 113.896 113.896 117.363 -3.467 26047 3656 1 8 . 1 1 61 61 GLU HA H 61 4.149 4.149 4.370 -0.222 26047 3657 1 8 . 1 1 61 61 GLU C C 61 179.320 179.320 178.271 1.049 26047 3658 1 8 . 1 1 61 61 GLU CA C 61 58.633 58.633 58.186 0.447 26047 3659 1 8 . 1 1 61 61 GLU CB C 61 29.872 29.872 29.722 0.150 26047 3660 1 8 . 1 1 61 61 GLU H H 61 8.390 8.390 8.161 0.229 26047 3661 1 8 . 1 1 62 62 GLY N N 62 106.899 106.899 107.936 -1.037 26047 3662 1 8 . 1 1 62 62 GLY C C 62 174.585 174.585 176.172 -1.587 26047 3663 1 8 . 1 1 62 62 GLY CA C 62 47.194 47.194 46.005 1.189 26047 3664 1 8 . 1 1 62 62 GLY H H 62 7.932 7.932 7.683 0.249 26047 3665 1 8 . 1 1 63 63 VAL N N 63 120.730 120.730 122.365 -1.635 26047 3666 1 8 . 1 1 63 63 VAL HA H 63 3.927 3.927 3.815 0.112 26047 3667 1 8 . 1 1 63 63 VAL C C 63 177.334 177.334 177.274 0.060 26047 3668 1 8 . 1 1 63 63 VAL CA C 63 65.419 65.419 65.204 0.215 26047 3669 1 8 . 1 1 63 63 VAL CB C 63 31.126 31.126 31.932 -0.806 26047 3670 1 8 . 1 1 63 63 VAL H H 63 8.688 8.688 8.570 0.118 26047 3671 1 8 . 1 1 64 64 ALA N N 64 117.132 117.132 120.365 -3.233 26047 3672 1 8 . 1 1 64 64 ALA HA H 64 4.014 4.014 4.312 -0.298 26047 3673 1 8 . 1 1 64 64 ALA C C 64 177.759 177.759 178.104 -0.345 26047 3674 1 8 . 1 1 64 64 ALA CA C 64 54.526 54.526 53.816 0.711 26047 3675 1 8 . 1 1 64 64 ALA CB C 64 18.715 18.715 18.584 0.131 26047 3676 1 8 . 1 1 64 64 ALA H H 64 7.160 7.160 8.130 -0.970 26047 3677 1 8 . 1 1 65 65 GLN N N 65 112.231 112.231 116.379 -4.148 26047 3678 1 8 . 1 1 65 65 GLN HA H 65 4.359 4.359 4.394 -0.035 26047 3679 1 8 . 1 1 65 65 GLN C C 65 175.568 175.568 175.768 -0.200 26047 3680 1 8 . 1 1 65 65 GLN CA C 65 55.459 55.459 55.967 -0.508 26047 3681 1 8 . 1 1 65 65 GLN CB C 65 30.028 30.028 29.460 0.568 26047 3682 1 8 . 1 1 65 65 GLN H H 65 7.143 7.143 7.829 -0.686 26047 3683 1 8 . 1 1 66 66 MET N N 66 122.412 122.412 118.423 3.989 26047 3684 1 8 . 1 1 66 66 MET HA H 66 4.788 4.788 4.807 -0.019 26047 3685 1 8 . 1 1 66 66 MET C C 66 172.467 172.467 174.718 -2.251 26047 3686 1 8 . 1 1 66 66 MET CA C 66 55.118 55.118 54.132 0.986 26047 3687 1 8 . 1 1 66 66 MET CB C 66 35.667 35.667 35.368 0.299 26047 3688 1 8 . 1 1 66 66 MET H H 66 7.965 7.965 7.510 0.455 26047 3689 1 8 . 1 1 67 67 SER N N 67 107.611 107.611 114.157 -6.546 26047 3690 1 8 . 1 1 67 67 SER HA H 67 4.833 4.833 4.538 0.295 26047 3691 1 8 . 1 1 67 67 SER C C 67 176.275 176.275 174.420 1.855 26047 3692 1 8 . 1 1 67 67 SER CA C 67 54.465 54.465 56.099 -1.634 26047 3693 1 8 . 1 1 67 67 SER CB C 67 65.982 65.982 64.948 1.034 26047 3694 1 8 . 1 1 67 67 SER H H 67 8.182 8.182 8.122 0.060 26047 3695 1 8 . 1 1 68 68 VAL N N 68 119.266 119.266 122.487 -3.221 26047 3696 1 8 . 1 1 68 68 VAL HA H 68 3.105 3.105 3.530 -0.425 26047 3697 1 8 . 1 1 68 68 VAL C C 68 176.390 176.390 176.740 -0.350 26047 3698 1 8 . 1 1 68 68 VAL CA C 68 67.074 67.074 65.228 1.845 26047 3699 1 8 . 1 1 68 68 VAL CB C 68 31.503 31.503 30.560 0.943 26047 3700 1 8 . 1 1 68 68 VAL H H 68 7.650 7.650 8.515 -0.865 26047 3701 1 8 . 1 1 69 69 GLY N N 69 116.900 116.900 113.960 2.940 26047 3702 1 8 . 1 1 69 69 GLY C C 69 173.934 173.934 173.722 0.212 26047 3703 1 8 . 1 1 69 69 GLY CA C 69 44.407 44.407 44.817 -0.410 26047 3704 1 8 . 1 1 69 69 GLY H H 69 8.855 8.855 8.640 0.215 26047 3705 1 8 . 1 1 70 70 GLN N N 70 123.210 123.210 120.666 2.544 26047 3706 1 8 . 1 1 70 70 GLN HA H 70 4.035 4.035 4.795 -0.760 26047 3707 1 8 . 1 1 70 70 GLN C C 70 173.663 173.663 174.363 -0.700 26047 3708 1 8 . 1 1 70 70 GLN CA C 70 55.788 55.788 54.675 1.113 26047 3709 1 8 . 1 1 70 70 GLN CB C 70 30.551 30.551 31.558 -1.007 26047 3710 1 8 . 1 1 70 70 GLN H H 70 8.607 8.607 8.030 0.577 26047 3711 1 8 . 1 1 71 71 ARG N N 71 124.586 124.586 125.509 -0.923 26047 3712 1 8 . 1 1 71 71 ARG HA H 71 5.660 5.660 4.856 0.804 26047 3713 1 8 . 1 1 71 71 ARG C C 71 175.582 175.582 173.964 1.618 26047 3714 1 8 . 1 1 71 71 ARG CA C 71 53.936 53.936 54.691 -0.755 26047 3715 1 8 . 1 1 71 71 ARG CB C 71 33.739 33.739 32.681 1.058 26047 3716 1 8 . 1 1 71 71 ARG H H 71 8.802 8.802 8.643 0.159 26047 3717 1 8 . 1 1 75 75 THR N N 75 121.856 121.856 121.337 0.519 26047 3718 1 8 . 1 1 75 75 THR HA H 75 5.052 5.052 4.728 0.324 26047 3719 1 8 . 1 1 75 75 THR C C 75 175.079 175.079 173.776 1.303 26047 3720 1 8 . 1 1 75 75 THR CA C 75 63.355 63.355 62.928 0.427 26047 3721 1 8 . 1 1 75 75 THR CB C 75 68.790 68.790 69.269 -0.479 26047 3722 1 8 . 1 1 75 75 THR H H 75 8.884 8.884 8.821 0.063 26047 3723 1 8 . 1 1 76 76 ILE N N 76 129.859 129.859 128.037 1.822 26047 3724 1 8 . 1 1 76 76 ILE HA H 76 4.680 4.680 4.750 -0.070 26047 3725 1 8 . 1 1 76 76 ILE C C 76 173.943 173.943 175.642 -1.699 26047 3726 1 8 . 1 1 76 76 ILE CA C 76 60.898 60.898 58.414 2.484 26047 3727 1 8 . 1 1 76 76 ILE CB C 76 41.236 41.236 39.488 1.748 26047 3728 1 8 . 1 1 76 76 ILE H H 76 9.864 9.864 8.792 1.072 26047 3729 1 8 . 1 1 77 77 SER N N 77 123.243 123.243 120.127 3.116 26047 3730 1 8 . 1 1 77 77 SER HA H 77 4.732 4.732 5.141 -0.409 26047 3731 1 8 . 1 1 77 77 SER C C 77 173.647 173.647 174.144 -0.497 26047 3732 1 8 . 1 1 77 77 SER CA C 77 57.726 57.726 55.436 2.290 26047 3733 1 8 . 1 1 77 77 SER CB C 77 62.763 62.763 63.498 -0.735 26047 3734 1 8 . 1 1 77 77 SER H H 77 8.612 8.612 8.328 0.284 26047 3735 1 8 . 1 1 78 78 PRO HA H 78 4.488 4.488 4.358 0.130 26047 3736 1 8 . 1 1 78 78 PRO C C 78 180.133 180.133 177.008 3.125 26047 3737 1 8 . 1 1 78 78 PRO CA C 78 65.828 65.828 65.046 0.782 26047 3738 1 8 . 1 1 78 78 PRO CB C 78 30.995 30.995 32.039 -1.044 26047 3739 1 8 . 1 1 79 79 ASP N N 79 115.934 115.934 115.946 -0.012 26047 3740 1 8 . 1 1 79 79 ASP HA H 79 4.390 4.390 4.568 -0.178 26047 3741 1 8 . 1 1 79 79 ASP C C 79 176.810 176.810 177.402 -0.592 26047 3742 1 8 . 1 1 79 79 ASP CA C 79 56.159 56.159 56.551 -0.392 26047 3743 1 8 . 1 1 79 79 ASP CB C 79 39.361 39.361 41.009 -1.648 26047 3744 1 8 . 1 1 79 79 ASP H H 79 8.799 8.799 8.702 0.097 26047 3745 1 8 . 1 1 80 80 TYR N N 80 120.969 120.969 118.876 2.093 26047 3746 1 8 . 1 1 80 80 TYR HA H 80 4.377 4.377 4.527 -0.150 26047 3747 1 8 . 1 1 80 80 TYR C C 80 173.332 173.332 175.870 -2.538 26047 3748 1 8 . 1 1 80 80 TYR CA C 80 57.597 57.597 59.469 -1.872 26047 3749 1 8 . 1 1 80 80 TYR CB C 80 38.903 38.903 39.727 -0.824 26047 3750 1 8 . 1 1 80 80 TYR H H 80 8.116 8.116 7.773 0.343 26047 3751 1 8 . 1 1 81 81 ALA N N 81 125.669 125.669 123.064 2.605 26047 3752 1 8 . 1 1 81 81 ALA HA H 81 4.421 4.421 4.028 0.393 26047 3753 1 8 . 1 1 81 81 ALA C C 81 175.888 175.888 177.355 -1.467 26047 3754 1 8 . 1 1 81 81 ALA CA C 81 51.701 51.701 54.549 -2.848 26047 3755 1 8 . 1 1 81 81 ALA CB C 81 19.334 19.334 19.172 0.162 26047 3756 1 8 . 1 1 81 81 ALA H H 81 7.801 7.801 8.368 -0.567 26047 3757 1 8 . 1 1 82 82 TYR N N 82 122.080 122.080 114.798 7.282 26047 3758 1 8 . 1 1 82 82 TYR HA H 82 4.566 4.566 4.580 -0.014 26047 3759 1 8 . 1 1 82 82 TYR C C 82 176.653 176.653 176.505 0.148 26047 3760 1 8 . 1 1 82 82 TYR CA C 82 58.865 58.865 58.318 0.547 26047 3761 1 8 . 1 1 82 82 TYR CB C 82 37.995 37.995 41.838 -3.843 26047 3762 1 8 . 1 1 82 82 TYR H H 82 9.321 9.321 7.617 1.704 26047 3763 1 8 . 1 1 83 83 GLY N N 83 108.394 108.394 106.580 1.814 26047 3764 1 8 . 1 1 83 83 GLY C C 83 175.214 175.214 172.782 2.432 26047 3765 1 8 . 1 1 83 83 GLY CA C 83 46.827 46.827 45.276 1.552 26047 3766 1 8 . 1 1 83 83 GLY H H 83 8.535 8.535 7.929 0.606 26047 3767 1 8 . 1 1 84 84 ALA HA H 84 3.273 3.273 4.242 -0.969 26047 3768 1 8 . 1 1 84 84 ALA C C 84 177.536 177.536 177.767 -0.231 26047 3769 1 8 . 1 1 84 84 ALA CA C 84 53.514 53.514 53.750 -0.236 26047 3770 1 8 . 1 1 84 84 ALA CB C 84 19.318 19.318 19.117 0.201 26047 3771 1 8 . 1 1 85 85 THR N N 85 109.341 109.341 113.335 -3.994 26047 3772 1 8 . 1 1 85 85 THR HA H 85 4.038 4.038 4.214 -0.176 26047 3773 1 8 . 1 1 85 85 THR C C 85 177.149 177.149 175.228 1.921 26047 3774 1 8 . 1 1 85 85 THR CA C 85 64.040 64.040 62.261 1.780 26047 3775 1 8 . 1 1 85 85 THR CB C 85 69.466 69.466 69.520 -0.054 26047 3776 1 8 . 1 1 85 85 THR H H 85 7.927 7.927 7.917 0.010 26047 3777 1 8 . 1 1 86 86 GLY N N 86 106.961 106.961 108.790 -1.829 26047 3778 1 8 . 1 1 86 86 GLY C C 86 171.567 171.567 173.065 -1.498 26047 3779 1 8 . 1 1 86 86 GLY CA C 86 45.151 45.151 44.556 0.596 26047 3780 1 8 . 1 1 86 86 GLY H H 86 7.341 7.341 7.646 -0.305 26047 3781 1 8 . 1 1 87 87 HIS N N 87 121.870 121.870 120.320 1.550 26047 3782 1 8 . 1 1 87 87 HIS HA H 87 4.967 4.967 4.659 0.308 26047 3783 1 8 . 1 1 87 87 HIS C C 87 172.750 172.750 173.675 -0.925 26047 3784 1 8 . 1 1 87 87 HIS CA C 87 53.029 53.029 52.652 0.377 26047 3785 1 8 . 1 1 87 87 HIS CB C 87 32.349 32.349 30.636 1.713 26047 3786 1 8 . 1 1 87 87 HIS H H 87 8.799 8.799 8.037 0.762 26047 3787 1 8 . 1 1 88 88 PRO HA H 88 4.132 4.132 4.301 -0.169 26047 3788 1 8 . 1 1 88 88 PRO C C 88 176.585 176.585 177.419 -0.834 26047 3789 1 8 . 1 1 88 88 PRO CA C 88 65.123 65.123 63.669 1.454 26047 3790 1 8 . 1 1 88 88 PRO CB C 88 31.851 31.851 31.719 0.132 26047 3791 1 8 . 1 1 89 89 GLY N N 89 113.445 113.445 113.266 0.179 26047 3792 1 8 . 1 1 89 89 GLY C C 89 174.030 174.030 174.721 -0.691 26047 3793 1 8 . 1 1 89 89 GLY CA C 89 45.251 45.251 45.138 0.113 26047 3794 1 8 . 1 1 89 89 GLY H H 89 8.571 8.571 8.701 -0.130 26047 3795 1 8 . 1 1 90 90 ILE N N 90 118.128 118.128 121.104 -2.976 26047 3796 1 8 . 1 1 90 90 ILE HA H 90 4.252 4.252 4.217 0.035 26047 3797 1 8 . 1 1 90 90 ILE C C 90 174.403 174.403 175.910 -1.507 26047 3798 1 8 . 1 1 90 90 ILE CA C 90 62.855 62.855 62.537 0.318 26047 3799 1 8 . 1 1 90 90 ILE CB C 90 41.565 41.565 39.026 2.539 26047 3800 1 8 . 1 1 90 90 ILE H H 90 8.103 8.103 7.621 0.482 26047 3801 1 8 . 1 1 91 91 ILE N N 91 119.444 119.444 120.193 -0.749 26047 3802 1 8 . 1 1 91 91 ILE HA H 91 4.506 4.506 4.314 0.192 26047 3803 1 8 . 1 1 91 91 ILE C C 91 174.345 174.345 173.960 0.385 26047 3804 1 8 . 1 1 91 91 ILE CA C 91 56.335 56.335 57.029 -0.695 26047 3805 1 8 . 1 1 91 91 ILE CB C 91 40.719 40.719 36.435 4.284 26047 3806 1 8 . 1 1 91 91 ILE H H 91 8.241 8.241 7.540 0.701 26047 3807 1 8 . 1 1 92 92 PRO HA H 92 4.717 4.717 4.661 0.056 26047 3808 1 8 . 1 1 92 92 PRO CB C 92 31.011 31.011 31.307 -0.296 26047 3809 1 8 . 1 1 93 93 PRO HA H 93 3.617 3.617 4.301 -0.684 26047 3810 1 8 . 1 1 93 93 PRO C C 93 175.714 175.714 176.972 -1.258 26047 3811 1 8 . 1 1 93 93 PRO CA C 93 63.618 63.618 63.094 0.524 26047 3812 1 8 . 1 1 93 93 PRO CB C 93 33.171 33.171 32.380 0.791 26047 3813 1 8 . 1 1 94 94 HIS N N 94 115.851 115.851 116.673 -0.822 26047 3814 1 8 . 1 1 94 94 HIS HA H 94 3.804 3.804 4.166 -0.362 26047 3815 1 8 . 1 1 94 94 HIS C C 94 173.821 173.821 173.731 0.090 26047 3816 1 8 . 1 1 94 94 HIS CA C 94 57.145 57.145 57.527 -0.382 26047 3817 1 8 . 1 1 94 94 HIS CB C 94 27.977 27.977 27.709 0.268 26047 3818 1 8 . 1 1 94 94 HIS H H 94 7.934 7.934 8.514 -0.580 26047 3819 1 8 . 1 1 95 95 ALA N N 95 122.072 122.072 120.649 1.423 26047 3820 1 8 . 1 1 95 95 ALA HA H 95 4.459 4.459 4.681 -0.222 26047 3821 1 8 . 1 1 95 95 ALA C C 95 177.246 177.246 175.564 1.682 26047 3822 1 8 . 1 1 95 95 ALA CA C 95 52.728 52.728 50.894 1.834 26047 3823 1 8 . 1 1 95 95 ALA CB C 95 20.567 20.567 22.006 -1.439 26047 3824 1 8 . 1 1 95 95 ALA H H 95 7.706 7.706 7.777 -0.071 26047 3825 1 8 . 1 1 96 96 THR N N 96 122.875 122.875 119.500 3.375 26047 3826 1 8 . 1 1 96 96 THR HA H 96 4.650 4.650 4.496 0.154 26047 3827 1 8 . 1 1 96 96 THR C C 96 173.818 173.818 173.801 0.017 26047 3828 1 8 . 1 1 96 96 THR CA C 96 63.778 63.778 63.373 0.405 26047 3829 1 8 . 1 1 96 96 THR CB C 96 69.588 69.588 69.806 -0.218 26047 3830 1 8 . 1 1 96 96 THR H H 96 8.448 8.448 8.250 0.198 26047 3831 1 8 . 1 1 97 97 LEU N N 97 124.809 124.809 124.905 -0.096 26047 3832 1 8 . 1 1 97 97 LEU HA H 97 5.110 5.110 4.742 0.368 26047 3833 1 8 . 1 1 97 97 LEU C C 97 175.041 175.041 175.321 -0.280 26047 3834 1 8 . 1 1 97 97 LEU CA C 97 52.832 52.832 53.905 -1.073 26047 3835 1 8 . 1 1 97 97 LEU CB C 97 46.391 46.391 45.574 0.817 26047 3836 1 8 . 1 1 97 97 LEU H H 97 8.725 8.725 9.012 -0.287 26047 3837 1 8 . 1 1 98 98 VAL N N 98 121.081 121.081 118.679 2.402 26047 3838 1 8 . 1 1 98 98 VAL HA H 98 5.215 5.215 4.504 0.711 26047 3839 1 8 . 1 1 98 98 VAL C C 98 175.150 175.150 174.418 0.732 26047 3840 1 8 . 1 1 98 98 VAL CA C 98 60.662 60.662 61.541 -0.879 26047 3841 1 8 . 1 1 98 98 VAL CB C 98 34.355 34.355 34.015 0.340 26047 3842 1 8 . 1 1 98 98 VAL H H 98 8.692 8.692 8.666 0.026 26047 3843 1 8 . 1 1 99 99 PHE N N 99 123.638 123.638 125.724 -2.086 26047 3844 1 8 . 1 1 99 99 PHE HA H 99 5.754 5.754 5.590 0.164 26047 3845 1 8 . 1 1 99 99 PHE C C 99 174.328 174.328 174.018 0.310 26047 3846 1 8 . 1 1 99 99 PHE CA C 99 55.196 55.196 56.400 -1.204 26047 3847 1 8 . 1 1 99 99 PHE CB C 99 43.396 43.396 43.565 -0.168 26047 3848 1 8 . 1 1 99 99 PHE H H 99 9.724 9.724 9.227 0.497 26047 3849 1 8 . 1 1 100 100 ASP N N 100 124.358 124.358 124.768 -0.410 26047 3850 1 8 . 1 1 100 100 ASP HA H 100 5.164 5.164 5.042 0.122 26047 3851 1 8 . 1 1 100 100 ASP C C 100 176.946 176.946 175.275 1.671 26047 3852 1 8 . 1 1 100 100 ASP CA C 100 52.778 52.778 53.129 -0.351 26047 3853 1 8 . 1 1 100 100 ASP CB C 100 42.320 42.320 43.464 -1.144 26047 3854 1 8 . 1 1 100 100 ASP H H 100 8.775 8.775 8.594 0.181 26047 3855 1 8 . 1 1 101 101 VAL N N 101 126.428 126.428 121.508 4.920 26047 3856 1 8 . 1 1 101 101 VAL HA H 101 5.057 5.057 5.494 -0.437 26047 3857 1 8 . 1 1 101 101 VAL C C 101 172.620 172.620 174.142 -1.522 26047 3858 1 8 . 1 1 101 101 VAL CA C 101 61.041 61.041 58.548 2.493 26047 3859 1 8 . 1 1 101 101 VAL CB C 101 35.481 35.481 34.317 1.164 26047 3860 1 8 . 1 1 101 101 VAL H H 101 9.513 9.513 7.752 1.761 26047 3861 1 8 . 1 1 102 102 GLU N N 102 128.393 128.393 120.500 7.893 26047 3862 1 8 . 1 1 102 102 GLU HA H 102 5.392 5.392 4.928 0.464 26047 3863 1 8 . 1 1 102 102 GLU C C 102 175.174 175.174 175.115 0.059 26047 3864 1 8 . 1 1 102 102 GLU CA C 102 53.979 53.979 53.911 0.068 26047 3865 1 8 . 1 1 102 102 GLU CB C 102 33.852 33.852 32.312 1.540 26047 3866 1 8 . 1 1 102 102 GLU H H 102 9.285 9.285 8.115 1.170 26047 3867 1 8 . 1 1 103 103 LEU N N 103 128.290 128.290 126.526 1.764 26047 3868 1 8 . 1 1 103 103 LEU HA H 103 4.671 4.671 4.257 0.414 26047 3869 1 8 . 1 1 103 103 LEU C C 103 174.266 174.266 175.954 -1.688 26047 3870 1 8 . 1 1 103 103 LEU CA C 103 54.356 54.356 55.280 -0.924 26047 3871 1 8 . 1 1 103 103 LEU CB C 103 41.465 41.465 41.938 -0.473 26047 3872 1 8 . 1 1 103 103 LEU H H 103 8.613 8.613 8.751 -0.138 26047 3873 1 9 . 1 1 -2 -2 PRO HA H -2 4.485 4.485 4.696 -0.211 26047 3874 1 9 . 1 1 -2 -2 PRO C C -2 176.570 176.570 177.249 -0.679 26047 3875 1 9 . 1 1 -2 -2 PRO CA C -2 63.243 63.243 63.853 -0.610 26047 3876 1 9 . 1 1 -2 -2 PRO CB C -2 32.290 32.290 32.046 0.244 26047 3877 1 9 . 1 1 -1 -1 SER N N -1 116.659 116.659 111.714 4.945 26047 3878 1 9 . 1 1 -1 -1 SER HA H -1 4.422 4.422 4.580 -0.158 26047 3879 1 9 . 1 1 -1 -1 SER C C -1 174.384 174.384 174.133 0.251 26047 3880 1 9 . 1 1 -1 -1 SER CA C -1 58.230 58.230 59.045 -0.815 26047 3881 1 9 . 1 1 -1 -1 SER CB C -1 63.838 63.838 63.852 -0.014 26047 3882 1 9 . 1 1 -1 -1 SER H H -1 8.542 8.542 7.934 0.608 26047 3883 1 9 . 1 1 0 0 MET N N 0 122.115 122.115 121.648 0.467 26047 3884 1 9 . 1 1 0 0 MET HA H 0 4.441 4.441 4.672 -0.231 26047 3885 1 9 . 1 1 0 0 MET C C 0 176.182 176.182 175.840 0.342 26047 3886 1 9 . 1 1 0 0 MET CA C 0 55.346 55.346 54.088 1.258 26047 3887 1 9 . 1 1 0 0 MET CB C 0 33.248 33.248 33.818 -0.570 26047 3888 1 9 . 1 1 0 0 MET H H 0 8.356 8.356 7.872 0.484 26047 3889 1 9 . 1 1 1 1 GLY N N 1 110.724 110.724 109.725 0.999 26047 3890 1 9 . 1 1 1 1 GLY C C 1 172.468 172.468 172.886 -0.418 26047 3891 1 9 . 1 1 1 1 GLY CA C 1 45.585 45.585 44.735 0.850 26047 3892 1 9 . 1 1 1 1 GLY H H 1 8.157 8.157 8.079 0.078 26047 3893 1 9 . 1 1 2 2 VAL N N 2 117.765 117.765 119.482 -1.717 26047 3894 1 9 . 1 1 2 2 VAL HA H 2 4.889 4.889 5.248 -0.359 26047 3895 1 9 . 1 1 2 2 VAL C C 2 173.396 173.396 174.170 -0.774 26047 3896 1 9 . 1 1 2 2 VAL CA C 2 59.731 59.731 59.488 0.243 26047 3897 1 9 . 1 1 2 2 VAL CB C 2 34.600 34.600 33.818 0.782 26047 3898 1 9 . 1 1 2 2 VAL H H 2 7.471 7.471 7.113 0.358 26047 3899 1 9 . 1 1 3 3 GLN N N 3 126.962 126.962 128.072 -1.110 26047 3900 1 9 . 1 1 3 3 GLN HA H 3 4.686 4.686 4.689 -0.003 26047 3901 1 9 . 1 1 3 3 GLN C C 3 174.658 174.658 174.113 0.545 26047 3902 1 9 . 1 1 3 3 GLN CA C 3 54.379 54.379 53.494 0.885 26047 3903 1 9 . 1 1 3 3 GLN CB C 3 31.669 31.669 31.626 0.043 26047 3904 1 9 . 1 1 3 3 GLN H H 3 8.514 8.514 8.388 0.126 26047 3905 1 9 . 1 1 4 4 VAL N N 4 125.396 125.396 123.690 1.706 26047 3906 1 9 . 1 1 4 4 VAL HA H 4 4.520 4.520 4.311 0.209 26047 3907 1 9 . 1 1 4 4 VAL C C 4 175.411 175.411 175.153 0.258 26047 3908 1 9 . 1 1 4 4 VAL CA C 4 61.993 61.993 61.656 0.337 26047 3909 1 9 . 1 1 4 4 VAL CB C 4 33.355 33.355 34.022 -0.667 26047 3910 1 9 . 1 1 4 4 VAL H H 4 8.823 8.823 8.445 0.378 26047 3911 1 9 . 1 1 5 5 GLU N N 5 128.706 128.706 128.246 0.460 26047 3912 1 9 . 1 1 5 5 GLU HA H 5 4.782 4.782 4.648 0.134 26047 3913 1 9 . 1 1 5 5 GLU C C 5 175.830 175.830 175.665 0.165 26047 3914 1 9 . 1 1 5 5 GLU CA C 5 54.451 54.451 54.051 0.400 26047 3915 1 9 . 1 1 5 5 GLU CB C 5 32.818 32.818 31.023 1.795 26047 3916 1 9 . 1 1 5 5 GLU H H 5 9.024 9.024 8.659 0.365 26047 3917 1 9 . 1 1 6 6 THR N N 6 124.408 124.408 120.185 4.223 26047 3918 1 9 . 1 1 6 6 THR HA H 6 3.898 3.898 4.256 -0.358 26047 3919 1 9 . 1 1 6 6 THR C C 6 173.675 173.675 174.320 -0.645 26047 3920 1 9 . 1 1 6 6 THR CA C 6 66.715 66.715 63.737 2.978 26047 3921 1 9 . 1 1 6 6 THR CB C 6 68.934 68.934 69.064 -0.130 26047 3922 1 9 . 1 1 6 6 THR H H 6 9.173 9.173 8.724 0.449 26047 3923 1 9 . 1 1 7 7 ILE N N 7 129.476 129.476 127.365 2.111 26047 3924 1 9 . 1 1 7 7 ILE HA H 7 4.071 4.071 4.321 -0.250 26047 3925 1 9 . 1 1 7 7 ILE C C 7 175.768 175.768 176.454 -0.686 26047 3926 1 9 . 1 1 7 7 ILE CA C 7 63.285 63.285 62.116 1.169 26047 3927 1 9 . 1 1 7 7 ILE CB C 7 39.659 39.659 39.455 0.204 26047 3928 1 9 . 1 1 7 7 ILE H H 7 9.329 9.329 9.047 0.282 26047 3929 1 9 . 1 1 8 8 SER N N 8 114.774 114.774 115.634 -0.860 26047 3930 1 9 . 1 1 8 8 SER HA H 8 4.987 4.987 4.949 0.038 26047 3931 1 9 . 1 1 8 8 SER C C 8 171.895 171.895 172.318 -0.423 26047 3932 1 9 . 1 1 8 8 SER CA C 8 55.577 55.577 54.772 0.805 26047 3933 1 9 . 1 1 8 8 SER CB C 8 64.384 64.384 64.531 -0.147 26047 3934 1 9 . 1 1 8 8 SER H H 8 8.300 8.300 8.034 0.266 26047 3935 1 9 . 1 1 9 9 PRO HA H 9 4.331 4.331 4.621 -0.290 26047 3936 1 9 . 1 1 9 9 PRO C C 9 177.628 177.628 176.570 1.058 26047 3937 1 9 . 1 1 9 9 PRO CA C 9 63.646 63.646 62.595 1.051 26047 3938 1 9 . 1 1 9 9 PRO CB C 9 32.910 32.910 32.397 0.513 26047 3939 1 9 . 1 1 10 10 GLY N N 10 107.910 107.910 112.368 -4.458 26047 3940 1 9 . 1 1 10 10 GLY C C 10 174.203 174.203 174.107 0.096 26047 3941 1 9 . 1 1 10 10 GLY CA C 10 44.176 44.176 45.049 -0.873 26047 3942 1 9 . 1 1 10 10 GLY H H 10 8.464 8.464 8.123 0.341 26047 3943 1 9 . 1 1 11 11 ASP N N 11 118.911 118.911 121.389 -2.478 26047 3944 1 9 . 1 1 11 11 ASP HA H 11 4.289 4.289 4.549 -0.260 26047 3945 1 9 . 1 1 11 11 ASP C C 11 178.317 178.317 177.346 0.971 26047 3946 1 9 . 1 1 11 11 ASP CA C 11 54.629 54.629 55.279 -0.650 26047 3947 1 9 . 1 1 11 11 ASP CB C 11 39.382 39.382 42.106 -2.724 26047 3948 1 9 . 1 1 11 11 ASP H H 11 8.049 8.049 8.058 -0.009 26047 3949 1 9 . 1 1 12 12 GLY N N 12 108.262 108.262 107.404 0.858 26047 3950 1 9 . 1 1 12 12 GLY C C 12 173.279 173.279 174.393 -1.114 26047 3951 1 9 . 1 1 12 12 GLY CA C 12 46.049 46.049 45.878 0.171 26047 3952 1 9 . 1 1 12 12 GLY H H 12 8.719 8.719 8.116 0.603 26047 3953 1 9 . 1 1 13 13 ARG N N 13 117.671 117.671 116.363 1.308 26047 3954 1 9 . 1 1 13 13 ARG HA H 13 4.709 4.709 4.677 0.032 26047 3955 1 9 . 1 1 13 13 ARG C C 13 175.038 175.038 174.847 0.191 26047 3956 1 9 . 1 1 13 13 ARG CA C 13 56.794 56.794 55.669 1.125 26047 3957 1 9 . 1 1 13 13 ARG CB C 13 34.416 34.416 31.690 2.726 26047 3958 1 9 . 1 1 13 13 ARG H H 13 8.539 8.539 8.015 0.524 26047 3959 1 9 . 1 1 14 14 THR N N 14 125.323 125.323 118.262 7.061 26047 3960 1 9 . 1 1 14 14 THR HA H 14 4.205 4.205 4.628 -0.422 26047 3961 1 9 . 1 1 14 14 THR C C 14 172.353 172.353 172.752 -0.399 26047 3962 1 9 . 1 1 14 14 THR CA C 14 62.060 62.060 61.728 0.332 26047 3963 1 9 . 1 1 14 14 THR CB C 14 66.395 66.395 68.820 -2.425 26047 3964 1 9 . 1 1 14 14 THR H H 14 10.197 10.197 7.637 2.560 26047 3965 1 9 . 1 1 15 15 PHE N N 15 124.865 124.865 126.209 -1.344 26047 3966 1 9 . 1 1 15 15 PHE HA H 15 5.232 5.232 5.035 0.197 26047 3967 1 9 . 1 1 15 15 PHE C C 15 174.388 174.388 174.789 -0.401 26047 3968 1 9 . 1 1 15 15 PHE CA C 15 54.495 54.495 55.264 -0.769 26047 3969 1 9 . 1 1 15 15 PHE CB C 15 39.883 39.883 39.786 0.097 26047 3970 1 9 . 1 1 15 15 PHE H H 15 8.086 8.086 8.605 -0.519 26047 3971 1 9 . 1 1 19 19 GLY N N 19 112.901 112.901 114.306 -1.405 26047 3972 1 9 . 1 1 19 19 GLY C C 19 174.204 174.204 173.407 0.797 26047 3973 1 9 . 1 1 19 19 GLY CA C 19 44.943 44.943 45.165 -0.222 26047 3974 1 9 . 1 1 19 19 GLY H H 19 8.682 8.682 8.770 -0.088 26047 3975 1 9 . 1 1 20 20 GLN N N 20 118.698 118.698 119.338 -0.640 26047 3976 1 9 . 1 1 20 20 GLN HA H 20 4.497 4.497 4.741 -0.244 26047 3977 1 9 . 1 1 20 20 GLN C C 20 174.974 174.974 174.555 0.419 26047 3978 1 9 . 1 1 20 20 GLN CA C 20 56.335 56.335 53.772 2.563 26047 3979 1 9 . 1 1 20 20 GLN CB C 20 30.891 30.891 29.824 1.067 26047 3980 1 9 . 1 1 20 20 GLN H H 20 8.103 8.103 8.016 0.087 26047 3981 1 9 . 1 1 21 21 THR N N 21 119.715 119.715 116.075 3.640 26047 3982 1 9 . 1 1 21 21 THR HA H 21 4.457 4.457 4.719 -0.262 26047 3983 1 9 . 1 1 21 21 THR C C 21 173.797 173.797 174.519 -0.722 26047 3984 1 9 . 1 1 21 21 THR CA C 21 63.067 63.067 62.352 0.715 26047 3985 1 9 . 1 1 21 21 THR CB C 21 68.825 68.825 69.512 -0.687 26047 3986 1 9 . 1 1 21 21 THR H H 21 8.729 8.729 8.492 0.237 26047 3987 1 9 . 1 1 22 22 CYS N N 22 126.008 126.008 125.336 0.672 26047 3988 1 9 . 1 1 22 22 CYS HA H 22 4.269 4.269 4.645 -0.376 26047 3989 1 9 . 1 1 22 22 CYS C C 22 172.458 172.458 173.539 -1.081 26047 3990 1 9 . 1 1 22 22 CYS CA C 22 58.011 58.011 57.727 0.284 26047 3991 1 9 . 1 1 22 22 CYS CB C 22 28.794 28.794 29.438 -0.644 26047 3992 1 9 . 1 1 22 22 CYS H H 22 8.826 8.826 8.492 0.334 26047 3993 1 9 . 1 1 23 23 VAL N N 23 123.456 123.456 127.800 -4.344 26047 3994 1 9 . 1 1 23 23 VAL HA H 23 4.595 4.595 4.314 0.281 26047 3995 1 9 . 1 1 23 23 VAL C C 23 175.899 175.899 175.045 0.854 26047 3996 1 9 . 1 1 23 23 VAL CA C 23 61.411 61.411 62.210 -0.799 26047 3997 1 9 . 1 1 23 23 VAL CB C 23 31.277 31.277 30.951 0.326 26047 3998 1 9 . 1 1 23 23 VAL H H 23 8.063 8.063 8.907 -0.844 26047 3999 1 9 . 1 1 24 24 VAL N N 24 118.126 118.126 120.918 -2.792 26047 4000 1 9 . 1 1 24 24 VAL HA H 24 5.852 5.852 4.941 0.911 26047 4001 1 9 . 1 1 24 24 VAL C C 24 175.589 175.589 174.445 1.144 26047 4002 1 9 . 1 1 24 24 VAL CA C 24 57.962 57.962 59.833 -1.871 26047 4003 1 9 . 1 1 24 24 VAL CB C 24 35.885 35.885 36.324 -0.439 26047 4004 1 9 . 1 1 24 24 VAL H H 24 9.620 9.620 8.807 0.813 26047 4005 1 9 . 1 1 25 25 HIS N N 25 118.824 118.824 122.498 -3.674 26047 4006 1 9 . 1 1 25 25 HIS HA H 25 5.865 5.865 5.100 0.765 26047 4007 1 9 . 1 1 25 25 HIS C C 25 176.663 176.663 174.779 1.884 26047 4008 1 9 . 1 1 25 25 HIS CA C 25 54.463 54.463 55.706 -1.242 26047 4009 1 9 . 1 1 25 25 HIS CB C 25 35.454 35.454 31.410 4.043 26047 4010 1 9 . 1 1 25 25 HIS H H 25 8.579 8.579 8.363 0.216 26047 4011 1 9 . 1 1 26 26 TYR N N 26 118.524 118.524 123.292 -4.768 26047 4012 1 9 . 1 1 26 26 TYR HA H 26 6.441 6.441 5.641 0.800 26047 4013 1 9 . 1 1 26 26 TYR C C 26 173.864 173.864 174.846 -0.982 26047 4014 1 9 . 1 1 26 26 TYR CA C 26 55.934 55.934 55.148 0.786 26047 4015 1 9 . 1 1 26 26 TYR CB C 26 44.380 44.380 41.268 3.112 26047 4016 1 9 . 1 1 26 26 TYR H H 26 9.937 9.937 9.133 0.804 26047 4017 1 9 . 1 1 27 27 THR N N 27 117.098 117.098 115.816 1.282 26047 4018 1 9 . 1 1 27 27 THR HA H 27 4.482 4.482 4.663 -0.181 26047 4019 1 9 . 1 1 27 27 THR C C 27 172.648 172.648 173.541 -0.893 26047 4020 1 9 . 1 1 27 27 THR CA C 27 63.163 63.163 61.913 1.250 26047 4021 1 9 . 1 1 27 27 THR CB C 27 72.324 72.324 70.737 1.586 26047 4022 1 9 . 1 1 27 27 THR H H 27 8.716 8.716 8.652 0.064 26047 4023 1 9 . 1 1 28 28 GLY N N 28 115.590 115.590 113.499 2.091 26047 4024 1 9 . 1 1 28 28 GLY C C 28 171.083 171.083 171.313 -0.230 26047 4025 1 9 . 1 1 28 28 GLY CA C 28 45.419 45.419 43.334 2.085 26047 4026 1 9 . 1 1 28 28 GLY H H 28 9.316 9.316 9.266 0.050 26047 4027 1 9 . 1 1 29 29 MET N N 29 125.723 125.723 124.470 1.253 26047 4028 1 9 . 1 1 29 29 MET HA H 29 5.251 5.251 4.611 0.640 26047 4029 1 9 . 1 1 29 29 MET C C 29 175.508 175.508 175.594 -0.086 26047 4030 1 9 . 1 1 29 29 MET CA C 29 54.221 54.221 54.159 0.062 26047 4031 1 9 . 1 1 29 29 MET CB C 29 37.913 37.913 36.640 1.273 26047 4032 1 9 . 1 1 29 29 MET H H 29 9.192 9.192 8.803 0.389 26047 4033 1 9 . 1 1 30 30 LEU N N 30 119.150 119.150 123.766 -4.616 26047 4034 1 9 . 1 1 30 30 LEU HA H 30 4.772 4.772 4.235 0.537 26047 4035 1 9 . 1 1 30 30 LEU C C 30 179.278 179.278 178.719 0.559 26047 4036 1 9 . 1 1 30 30 LEU CA C 30 54.169 54.169 55.966 -1.797 26047 4037 1 9 . 1 1 30 30 LEU CB C 30 41.634 41.634 42.612 -0.978 26047 4038 1 9 . 1 1 30 30 LEU H H 30 8.433 8.433 8.836 -0.403 26047 4039 1 9 . 1 1 31 31 GLU N N 31 120.636 120.636 120.954 -0.318 26047 4040 1 9 . 1 1 31 31 GLU HA H 31 3.816 3.816 4.007 -0.191 26047 4041 1 9 . 1 1 31 31 GLU C C 31 176.568 176.568 177.428 -0.860 26047 4042 1 9 . 1 1 31 31 GLU CA C 31 59.788 59.788 59.282 0.505 26047 4043 1 9 . 1 1 31 31 GLU CB C 31 29.883 29.883 29.739 0.144 26047 4044 1 9 . 1 1 31 31 GLU H H 31 9.110 9.110 9.100 0.010 26047 4045 1 9 . 1 1 32 32 ASP N N 32 115.429 115.429 115.473 -0.044 26047 4046 1 9 . 1 1 32 32 ASP HA H 32 4.420 4.420 4.720 -0.300 26047 4047 1 9 . 1 1 32 32 ASP C C 32 177.209 177.209 175.891 1.318 26047 4048 1 9 . 1 1 32 32 ASP CA C 32 53.556 53.556 54.276 -0.721 26047 4049 1 9 . 1 1 32 32 ASP CB C 32 40.030 40.030 41.341 -1.311 26047 4050 1 9 . 1 1 32 32 ASP H H 32 7.826 7.826 8.210 -0.384 26047 4051 1 9 . 1 1 37 37 ASP N N 37 118.871 118.871 122.821 -3.950 26047 4052 1 9 . 1 1 37 37 ASP HA H 37 4.827 4.827 5.051 -0.224 26047 4053 1 9 . 1 1 37 37 ASP C C 37 174.807 174.807 174.497 0.310 26047 4054 1 9 . 1 1 37 37 ASP CA C 37 54.739 54.739 54.916 -0.177 26047 4055 1 9 . 1 1 37 37 ASP CB C 37 44.386 44.386 44.075 0.311 26047 4056 1 9 . 1 1 37 37 ASP H H 37 6.765 6.765 7.765 -1.000 26047 4057 1 9 . 1 1 38 38 SER N N 38 118.532 118.532 118.666 -0.134 26047 4058 1 9 . 1 1 38 38 SER HA H 38 4.581 4.581 4.884 -0.303 26047 4059 1 9 . 1 1 38 38 SER C C 38 174.967 174.967 175.200 -0.233 26047 4060 1 9 . 1 1 38 38 SER CA C 38 57.033 57.033 56.734 0.298 26047 4061 1 9 . 1 1 38 38 SER CB C 38 64.862 64.862 65.726 -0.864 26047 4062 1 9 . 1 1 38 38 SER H H 38 8.196 8.196 8.454 -0.258 26047 4063 1 9 . 1 1 39 39 SER N N 39 124.920 124.920 120.638 4.282 26047 4064 1 9 . 1 1 39 39 SER HA H 39 4.131 4.131 4.413 -0.282 26047 4065 1 9 . 1 1 39 39 SER C C 39 177.101 177.101 176.461 0.640 26047 4066 1 9 . 1 1 39 39 SER CA C 39 61.690 61.690 60.256 1.434 26047 4067 1 9 . 1 1 39 39 SER CB C 39 61.632 61.632 63.341 -1.709 26047 4068 1 9 . 1 1 39 39 SER H H 39 7.872 7.872 8.034 -0.162 26047 4069 1 9 . 1 1 40 40 ARG N N 40 124.309 124.309 121.207 3.102 26047 4070 1 9 . 1 1 40 40 ARG HA H 40 3.607 3.607 4.318 -0.711 26047 4071 1 9 . 1 1 40 40 ARG C C 40 179.844 179.844 178.211 1.633 26047 4072 1 9 . 1 1 40 40 ARG CA C 40 58.859 58.859 58.720 0.139 26047 4073 1 9 . 1 1 40 40 ARG CB C 40 28.763 28.763 29.405 -0.642 26047 4074 1 9 . 1 1 40 40 ARG H H 40 7.617 7.617 7.754 -0.137 26047 4075 1 9 . 1 1 41 41 ASP N N 41 118.394 118.394 120.461 -2.067 26047 4076 1 9 . 1 1 41 41 ASP HA H 41 4.314 4.314 4.463 -0.149 26047 4077 1 9 . 1 1 41 41 ASP C C 41 176.750 176.750 177.146 -0.396 26047 4078 1 9 . 1 1 41 41 ASP CA C 41 56.536 56.536 56.964 -0.428 26047 4079 1 9 . 1 1 41 41 ASP CB C 41 40.095 40.095 40.365 -0.270 26047 4080 1 9 . 1 1 41 41 ASP H H 41 7.079 7.079 8.546 -1.467 26047 4081 1 9 . 1 1 42 42 ARG N N 42 115.037 115.037 117.113 -2.076 26047 4082 1 9 . 1 1 42 42 ARG HA H 42 4.431 4.431 4.401 0.030 26047 4083 1 9 . 1 1 42 42 ARG C C 42 175.430 175.430 175.726 -0.296 26047 4084 1 9 . 1 1 42 42 ARG CA C 42 56.099 56.099 55.797 0.302 26047 4085 1 9 . 1 1 42 42 ARG CB C 42 31.577 31.577 30.450 1.127 26047 4086 1 9 . 1 1 42 42 ARG H H 42 6.859 6.859 7.764 -0.905 26047 4087 1 9 . 1 1 49 49 MET N N 49 123.105 123.105 119.940 3.165 26047 4088 1 9 . 1 1 49 49 MET HA H 49 4.681 4.681 5.109 -0.428 26047 4089 1 9 . 1 1 49 49 MET C C 49 176.492 176.492 175.340 1.152 26047 4090 1 9 . 1 1 49 49 MET CA C 49 54.487 54.487 54.303 0.183 26047 4091 1 9 . 1 1 49 49 MET CB C 49 33.755 33.755 34.738 -0.983 26047 4092 1 9 . 1 1 49 49 MET H H 49 9.261 9.261 8.634 0.627 26047 4093 1 9 . 1 1 50 50 LEU N N 50 131.689 131.689 123.828 7.861 26047 4094 1 9 . 1 1 50 50 LEU HA H 50 4.210 4.210 4.700 -0.490 26047 4095 1 9 . 1 1 50 50 LEU C C 50 177.825 177.825 178.102 -0.277 26047 4096 1 9 . 1 1 50 50 LEU CA C 50 57.249 57.249 54.271 2.978 26047 4097 1 9 . 1 1 50 50 LEU CB C 50 41.752 41.752 41.805 -0.053 26047 4098 1 9 . 1 1 50 50 LEU H H 50 8.633 8.633 7.918 0.715 26047 4099 1 9 . 1 1 54 54 GLU N N 54 117.417 117.417 119.227 -1.810 26047 4100 1 9 . 1 1 54 54 GLU HA H 54 4.220 4.220 4.252 -0.032 26047 4101 1 9 . 1 1 54 54 GLU C C 54 176.221 176.221 176.059 0.162 26047 4102 1 9 . 1 1 54 54 GLU CA C 54 57.447 57.447 57.829 -0.382 26047 4103 1 9 . 1 1 54 54 GLU CB C 54 31.200 31.200 30.509 0.691 26047 4104 1 9 . 1 1 54 54 GLU H H 54 9.389 9.389 8.835 0.554 26047 4105 1 9 . 1 1 55 55 VAL N N 55 108.426 108.426 112.740 -4.314 26047 4106 1 9 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.260 0.054 26047 4107 1 9 . 1 1 55 55 VAL C C 55 175.226 175.226 174.653 0.573 26047 4108 1 9 . 1 1 55 55 VAL CA C 55 57.461 57.461 59.469 -2.008 26047 4109 1 9 . 1 1 55 55 VAL CB C 55 35.557 35.557 34.148 1.409 26047 4110 1 9 . 1 1 55 55 VAL H H 55 6.820 6.820 7.232 -0.412 26047 4111 1 9 . 1 1 56 56 ILE N N 56 111.618 111.618 113.872 -2.254 26047 4112 1 9 . 1 1 56 56 ILE HA H 56 3.853 3.853 4.098 -0.245 26047 4113 1 9 . 1 1 56 56 ILE C C 56 177.344 177.344 176.126 1.218 26047 4114 1 9 . 1 1 56 56 ILE CA C 56 61.975 61.975 60.422 1.553 26047 4115 1 9 . 1 1 56 56 ILE CB C 56 38.342 38.342 38.312 0.030 26047 4116 1 9 . 1 1 56 56 ILE H H 56 7.404 7.404 7.464 -0.060 26047 4117 1 9 . 1 1 57 57 ARG N N 57 124.436 124.436 123.665 0.771 26047 4118 1 9 . 1 1 57 57 ARG HA H 57 4.063 4.063 4.028 0.035 26047 4119 1 9 . 1 1 57 57 ARG C C 57 179.428 179.428 178.565 0.863 26047 4120 1 9 . 1 1 57 57 ARG CA C 57 59.838 59.838 59.687 0.151 26047 4121 1 9 . 1 1 57 57 ARG CB C 57 30.630 30.630 30.218 0.412 26047 4122 1 9 . 1 1 57 57 ARG H H 57 8.631 8.631 8.460 0.171 26047 4123 1 9 . 1 1 58 58 GLY N N 58 107.151 107.151 105.054 2.097 26047 4124 1 9 . 1 1 58 58 GLY C C 58 175.210 175.210 175.460 -0.250 26047 4125 1 9 . 1 1 58 58 GLY CA C 58 47.621 47.621 46.670 0.951 26047 4126 1 9 . 1 1 58 58 GLY H H 58 9.688 9.688 7.988 1.700 26047 4127 1 9 . 1 1 59 59 TRP N N 59 119.956 119.956 121.412 -1.456 26047 4128 1 9 . 1 1 59 59 TRP HA H 59 4.227 4.227 4.529 -0.302 26047 4129 1 9 . 1 1 59 59 TRP C C 59 177.529 177.529 178.626 -1.097 26047 4130 1 9 . 1 1 59 59 TRP CA C 59 59.681 59.681 58.551 1.130 26047 4131 1 9 . 1 1 59 59 TRP CB C 59 29.092 29.092 29.377 -0.285 26047 4132 1 9 . 1 1 59 59 TRP H H 59 7.534 7.534 7.490 0.044 26047 4133 1 9 . 1 1 60 60 GLU N N 60 118.374 118.374 119.073 -0.699 26047 4134 1 9 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.217 -0.327 26047 4135 1 9 . 1 1 60 60 GLU C C 60 178.377 178.377 179.287 -0.910 26047 4136 1 9 . 1 1 60 60 GLU CA C 60 61.081 61.081 59.962 1.119 26047 4137 1 9 . 1 1 60 60 GLU CB C 60 29.417 29.417 29.486 -0.069 26047 4138 1 9 . 1 1 60 60 GLU H H 60 7.275 7.275 7.970 -0.695 26047 4139 1 9 . 1 1 61 61 GLU N N 61 113.896 113.896 117.283 -3.387 26047 4140 1 9 . 1 1 61 61 GLU HA H 61 4.149 4.149 4.370 -0.221 26047 4141 1 9 . 1 1 61 61 GLU C C 61 179.320 179.320 178.236 1.084 26047 4142 1 9 . 1 1 61 61 GLU CA C 61 58.633 58.633 58.136 0.497 26047 4143 1 9 . 1 1 61 61 GLU CB C 61 29.872 29.872 29.750 0.122 26047 4144 1 9 . 1 1 61 61 GLU H H 61 8.390 8.390 8.184 0.206 26047 4145 1 9 . 1 1 62 62 GLY N N 62 106.899 106.899 108.207 -1.308 26047 4146 1 9 . 1 1 62 62 GLY C C 62 174.585 174.585 176.512 -1.927 26047 4147 1 9 . 1 1 62 62 GLY CA C 62 47.194 47.194 46.200 0.994 26047 4148 1 9 . 1 1 62 62 GLY H H 62 7.932 7.932 7.797 0.135 26047 4149 1 9 . 1 1 63 63 VAL N N 63 120.730 120.730 122.702 -1.972 26047 4150 1 9 . 1 1 63 63 VAL HA H 63 3.927 3.927 3.868 0.059 26047 4151 1 9 . 1 1 63 63 VAL C C 63 177.334 177.334 177.463 -0.129 26047 4152 1 9 . 1 1 63 63 VAL CA C 63 65.419 65.419 64.173 1.246 26047 4153 1 9 . 1 1 63 63 VAL CB C 63 31.126 31.126 31.607 -0.481 26047 4154 1 9 . 1 1 63 63 VAL H H 63 8.688 8.688 8.564 0.124 26047 4155 1 9 . 1 1 64 64 ALA N N 64 117.132 117.132 120.568 -3.436 26047 4156 1 9 . 1 1 64 64 ALA HA H 64 4.014 4.014 4.314 -0.300 26047 4157 1 9 . 1 1 64 64 ALA C C 64 177.759 177.759 178.165 -0.406 26047 4158 1 9 . 1 1 64 64 ALA CA C 64 54.526 54.526 53.934 0.592 26047 4159 1 9 . 1 1 64 64 ALA CB C 64 18.715 18.715 18.475 0.240 26047 4160 1 9 . 1 1 64 64 ALA H H 64 7.160 7.160 8.087 -0.927 26047 4161 1 9 . 1 1 65 65 GLN N N 65 112.231 112.231 116.254 -4.023 26047 4162 1 9 . 1 1 65 65 GLN HA H 65 4.359 4.359 4.371 -0.012 26047 4163 1 9 . 1 1 65 65 GLN C C 65 175.568 175.568 175.861 -0.293 26047 4164 1 9 . 1 1 65 65 GLN CA C 65 55.459 55.459 56.030 -0.571 26047 4165 1 9 . 1 1 65 65 GLN CB C 65 30.028 30.028 29.532 0.496 26047 4166 1 9 . 1 1 65 65 GLN H H 65 7.143 7.143 7.864 -0.721 26047 4167 1 9 . 1 1 66 66 MET N N 66 122.412 122.412 118.417 3.995 26047 4168 1 9 . 1 1 66 66 MET HA H 66 4.788 4.788 4.807 -0.019 26047 4169 1 9 . 1 1 66 66 MET C C 66 172.467 172.467 174.976 -2.509 26047 4170 1 9 . 1 1 66 66 MET CA C 66 55.118 55.118 54.221 0.897 26047 4171 1 9 . 1 1 66 66 MET CB C 66 35.667 35.667 34.964 0.703 26047 4172 1 9 . 1 1 66 66 MET H H 66 7.965 7.965 7.517 0.448 26047 4173 1 9 . 1 1 67 67 SER N N 67 107.611 107.611 114.183 -6.572 26047 4174 1 9 . 1 1 67 67 SER HA H 67 4.833 4.833 4.456 0.377 26047 4175 1 9 . 1 1 67 67 SER C C 67 176.275 176.275 174.350 1.925 26047 4176 1 9 . 1 1 67 67 SER CA C 67 54.465 54.465 56.032 -1.567 26047 4177 1 9 . 1 1 67 67 SER CB C 67 65.982 65.982 64.887 1.095 26047 4178 1 9 . 1 1 67 67 SER H H 67 8.182 8.182 8.144 0.038 26047 4179 1 9 . 1 1 68 68 VAL N N 68 119.266 119.266 120.968 -1.702 26047 4180 1 9 . 1 1 68 68 VAL HA H 68 3.105 3.105 3.588 -0.483 26047 4181 1 9 . 1 1 68 68 VAL C C 68 176.390 176.390 176.778 -0.388 26047 4182 1 9 . 1 1 68 68 VAL CA C 68 67.074 67.074 64.982 2.092 26047 4183 1 9 . 1 1 68 68 VAL CB C 68 31.503 31.503 30.814 0.688 26047 4184 1 9 . 1 1 68 68 VAL H H 68 7.650 7.650 8.185 -0.535 26047 4185 1 9 . 1 1 69 69 GLY N N 69 116.900 116.900 114.168 2.732 26047 4186 1 9 . 1 1 69 69 GLY C C 69 173.934 173.934 173.762 0.172 26047 4187 1 9 . 1 1 69 69 GLY CA C 69 44.407 44.407 44.970 -0.563 26047 4188 1 9 . 1 1 69 69 GLY H H 69 8.855 8.855 8.683 0.172 26047 4189 1 9 . 1 1 70 70 GLN N N 70 123.210 123.210 120.647 2.563 26047 4190 1 9 . 1 1 70 70 GLN HA H 70 4.035 4.035 4.765 -0.730 26047 4191 1 9 . 1 1 70 70 GLN C C 70 173.663 173.663 174.420 -0.757 26047 4192 1 9 . 1 1 70 70 GLN CA C 70 55.788 55.788 54.769 1.019 26047 4193 1 9 . 1 1 70 70 GLN CB C 70 30.551 30.551 31.433 -0.882 26047 4194 1 9 . 1 1 70 70 GLN H H 70 8.607 8.607 7.921 0.686 26047 4195 1 9 . 1 1 71 71 ARG N N 71 124.586 124.586 126.070 -1.484 26047 4196 1 9 . 1 1 71 71 ARG HA H 71 5.660 5.660 4.850 0.810 26047 4197 1 9 . 1 1 71 71 ARG C C 71 175.582 175.582 173.987 1.595 26047 4198 1 9 . 1 1 71 71 ARG CA C 71 53.936 53.936 54.710 -0.774 26047 4199 1 9 . 1 1 71 71 ARG CB C 71 33.739 33.739 32.505 1.234 26047 4200 1 9 . 1 1 71 71 ARG H H 71 8.802 8.802 8.688 0.114 26047 4201 1 9 . 1 1 75 75 THR N N 75 121.856 121.856 121.563 0.293 26047 4202 1 9 . 1 1 75 75 THR HA H 75 5.052 5.052 4.719 0.333 26047 4203 1 9 . 1 1 75 75 THR C C 75 175.079 175.079 173.350 1.729 26047 4204 1 9 . 1 1 75 75 THR CA C 75 63.355 63.355 62.866 0.489 26047 4205 1 9 . 1 1 75 75 THR CB C 75 68.790 68.790 69.422 -0.632 26047 4206 1 9 . 1 1 75 75 THR H H 75 8.884 8.884 8.987 -0.103 26047 4207 1 9 . 1 1 76 76 ILE N N 76 129.859 129.859 128.192 1.667 26047 4208 1 9 . 1 1 76 76 ILE HA H 76 4.680 4.680 4.627 0.053 26047 4209 1 9 . 1 1 76 76 ILE C C 76 173.943 173.943 175.388 -1.445 26047 4210 1 9 . 1 1 76 76 ILE CA C 76 60.898 60.898 58.375 2.523 26047 4211 1 9 . 1 1 76 76 ILE CB C 76 41.236 41.236 39.763 1.473 26047 4212 1 9 . 1 1 76 76 ILE H H 76 9.864 9.864 8.679 1.185 26047 4213 1 9 . 1 1 77 77 SER N N 77 123.243 123.243 120.484 2.759 26047 4214 1 9 . 1 1 77 77 SER HA H 77 4.732 4.732 5.073 -0.341 26047 4215 1 9 . 1 1 77 77 SER C C 77 173.647 173.647 174.113 -0.466 26047 4216 1 9 . 1 1 77 77 SER CA C 77 57.726 57.726 55.582 2.144 26047 4217 1 9 . 1 1 77 77 SER CB C 77 62.763 62.763 63.711 -0.948 26047 4218 1 9 . 1 1 77 77 SER H H 77 8.612 8.612 8.646 -0.033 26047 4219 1 9 . 1 1 78 78 PRO HA H 78 4.488 4.488 4.348 0.140 26047 4220 1 9 . 1 1 78 78 PRO C C 78 180.133 180.133 177.086 3.047 26047 4221 1 9 . 1 1 78 78 PRO CA C 78 65.828 65.828 65.032 0.796 26047 4222 1 9 . 1 1 78 78 PRO CB C 78 30.995 30.995 32.099 -1.104 26047 4223 1 9 . 1 1 79 79 ASP N N 79 115.934 115.934 115.934 0.000 26047 4224 1 9 . 1 1 79 79 ASP HA H 79 4.390 4.390 4.558 -0.168 26047 4225 1 9 . 1 1 79 79 ASP C C 79 176.810 176.810 177.413 -0.603 26047 4226 1 9 . 1 1 79 79 ASP CA C 79 56.159 56.159 56.558 -0.399 26047 4227 1 9 . 1 1 79 79 ASP CB C 79 39.361 39.361 40.997 -1.636 26047 4228 1 9 . 1 1 79 79 ASP H H 79 8.799 8.799 8.703 0.096 26047 4229 1 9 . 1 1 80 80 TYR N N 80 120.969 120.969 118.892 2.077 26047 4230 1 9 . 1 1 80 80 TYR HA H 80 4.377 4.377 4.521 -0.144 26047 4231 1 9 . 1 1 80 80 TYR C C 80 173.332 173.332 175.961 -2.629 26047 4232 1 9 . 1 1 80 80 TYR CA C 80 57.597 57.597 59.605 -2.008 26047 4233 1 9 . 1 1 80 80 TYR CB C 80 38.903 38.903 39.766 -0.863 26047 4234 1 9 . 1 1 80 80 TYR H H 80 8.116 8.116 7.755 0.361 26047 4235 1 9 . 1 1 81 81 ALA N N 81 125.669 125.669 123.050 2.619 26047 4236 1 9 . 1 1 81 81 ALA HA H 81 4.421 4.421 4.015 0.406 26047 4237 1 9 . 1 1 81 81 ALA C C 81 175.888 175.888 177.388 -1.500 26047 4238 1 9 . 1 1 81 81 ALA CA C 81 51.701 51.701 54.617 -2.916 26047 4239 1 9 . 1 1 81 81 ALA CB C 81 19.334 19.334 19.162 0.172 26047 4240 1 9 . 1 1 81 81 ALA H H 81 7.801 7.801 8.401 -0.600 26047 4241 1 9 . 1 1 82 82 TYR N N 82 122.080 122.080 114.748 7.332 26047 4242 1 9 . 1 1 82 82 TYR HA H 82 4.566 4.566 4.591 -0.025 26047 4243 1 9 . 1 1 82 82 TYR C C 82 176.653 176.653 176.483 0.170 26047 4244 1 9 . 1 1 82 82 TYR CA C 82 58.865 58.865 58.496 0.369 26047 4245 1 9 . 1 1 82 82 TYR CB C 82 37.995 37.995 41.750 -3.755 26047 4246 1 9 . 1 1 82 82 TYR H H 82 9.321 9.321 7.612 1.709 26047 4247 1 9 . 1 1 83 83 GLY N N 83 108.394 108.394 106.597 1.797 26047 4248 1 9 . 1 1 83 83 GLY C C 83 175.214 175.214 172.789 2.425 26047 4249 1 9 . 1 1 83 83 GLY CA C 83 46.827 46.827 45.346 1.481 26047 4250 1 9 . 1 1 83 83 GLY H H 83 8.535 8.535 7.933 0.602 26047 4251 1 9 . 1 1 84 84 ALA HA H 84 3.273 3.273 4.242 -0.969 26047 4252 1 9 . 1 1 84 84 ALA C C 84 177.536 177.536 177.742 -0.206 26047 4253 1 9 . 1 1 84 84 ALA CA C 84 53.514 53.514 53.743 -0.229 26047 4254 1 9 . 1 1 84 84 ALA CB C 84 19.318 19.318 19.126 0.192 26047 4255 1 9 . 1 1 85 85 THR N N 85 109.341 109.341 113.288 -3.947 26047 4256 1 9 . 1 1 85 85 THR HA H 85 4.038 4.038 4.217 -0.179 26047 4257 1 9 . 1 1 85 85 THR C C 85 177.149 177.149 175.190 1.959 26047 4258 1 9 . 1 1 85 85 THR CA C 85 64.040 64.040 62.266 1.774 26047 4259 1 9 . 1 1 85 85 THR CB C 85 69.466 69.466 69.555 -0.089 26047 4260 1 9 . 1 1 85 85 THR H H 85 7.927 7.927 7.910 0.017 26047 4261 1 9 . 1 1 86 86 GLY N N 86 106.961 106.961 108.757 -1.796 26047 4262 1 9 . 1 1 86 86 GLY C C 86 171.567 171.567 173.026 -1.459 26047 4263 1 9 . 1 1 86 86 GLY CA C 86 45.151 45.151 44.539 0.612 26047 4264 1 9 . 1 1 86 86 GLY H H 86 7.341 7.341 7.639 -0.298 26047 4265 1 9 . 1 1 87 87 HIS N N 87 121.870 121.870 120.356 1.514 26047 4266 1 9 . 1 1 87 87 HIS HA H 87 4.967 4.967 4.653 0.314 26047 4267 1 9 . 1 1 87 87 HIS C C 87 172.750 172.750 173.661 -0.911 26047 4268 1 9 . 1 1 87 87 HIS CA C 87 53.029 53.029 52.637 0.392 26047 4269 1 9 . 1 1 87 87 HIS CB C 87 32.349 32.349 30.624 1.725 26047 4270 1 9 . 1 1 87 87 HIS H H 87 8.799 8.799 8.008 0.791 26047 4271 1 9 . 1 1 88 88 PRO HA H 88 4.132 4.132 4.301 -0.169 26047 4272 1 9 . 1 1 88 88 PRO C C 88 176.585 176.585 177.428 -0.843 26047 4273 1 9 . 1 1 88 88 PRO CA C 88 65.123 65.123 63.687 1.436 26047 4274 1 9 . 1 1 88 88 PRO CB C 88 31.851 31.851 31.749 0.102 26047 4275 1 9 . 1 1 89 89 GLY N N 89 113.445 113.445 113.211 0.234 26047 4276 1 9 . 1 1 89 89 GLY C C 89 174.030 174.030 174.708 -0.678 26047 4277 1 9 . 1 1 89 89 GLY CA C 89 45.251 45.251 45.132 0.119 26047 4278 1 9 . 1 1 89 89 GLY H H 89 8.571 8.571 8.693 -0.122 26047 4279 1 9 . 1 1 90 90 ILE N N 90 118.128 118.128 121.106 -2.978 26047 4280 1 9 . 1 1 90 90 ILE HA H 90 4.252 4.252 4.218 0.034 26047 4281 1 9 . 1 1 90 90 ILE C C 90 174.403 174.403 175.913 -1.510 26047 4282 1 9 . 1 1 90 90 ILE CA C 90 62.855 62.855 62.519 0.336 26047 4283 1 9 . 1 1 90 90 ILE CB C 90 41.565 41.565 39.034 2.531 26047 4284 1 9 . 1 1 90 90 ILE H H 90 8.103 8.103 7.625 0.478 26047 4285 1 9 . 1 1 91 91 ILE N N 91 119.444 119.444 120.391 -0.947 26047 4286 1 9 . 1 1 91 91 ILE HA H 91 4.506 4.506 4.323 0.183 26047 4287 1 9 . 1 1 91 91 ILE C C 91 174.345 174.345 173.798 0.547 26047 4288 1 9 . 1 1 91 91 ILE CA C 91 56.335 56.335 56.988 -0.653 26047 4289 1 9 . 1 1 91 91 ILE CB C 91 40.719 40.719 36.757 3.962 26047 4290 1 9 . 1 1 91 91 ILE H H 91 8.241 8.241 7.544 0.697 26047 4291 1 9 . 1 1 92 92 PRO HA H 92 4.717 4.717 4.688 0.029 26047 4292 1 9 . 1 1 92 92 PRO CB C 92 31.011 31.011 31.363 -0.352 26047 4293 1 9 . 1 1 93 93 PRO HA H 93 3.617 3.617 4.307 -0.690 26047 4294 1 9 . 1 1 93 93 PRO C C 93 175.714 175.714 176.981 -1.267 26047 4295 1 9 . 1 1 93 93 PRO CA C 93 63.618 63.618 63.088 0.530 26047 4296 1 9 . 1 1 93 93 PRO CB C 93 33.171 33.171 32.388 0.783 26047 4297 1 9 . 1 1 94 94 HIS N N 94 115.851 115.851 116.498 -0.647 26047 4298 1 9 . 1 1 94 94 HIS HA H 94 3.804 3.804 4.159 -0.355 26047 4299 1 9 . 1 1 94 94 HIS C C 94 173.821 173.821 173.756 0.065 26047 4300 1 9 . 1 1 94 94 HIS CA C 94 57.145 57.145 57.566 -0.420 26047 4301 1 9 . 1 1 94 94 HIS CB C 94 27.977 27.977 27.731 0.246 26047 4302 1 9 . 1 1 94 94 HIS H H 94 7.934 7.934 8.519 -0.585 26047 4303 1 9 . 1 1 95 95 ALA N N 95 122.072 122.072 120.711 1.361 26047 4304 1 9 . 1 1 95 95 ALA HA H 95 4.459 4.459 4.681 -0.222 26047 4305 1 9 . 1 1 95 95 ALA C C 95 177.246 177.246 175.646 1.600 26047 4306 1 9 . 1 1 95 95 ALA CA C 95 52.728 52.728 50.857 1.871 26047 4307 1 9 . 1 1 95 95 ALA CB C 95 20.567 20.567 21.867 -1.300 26047 4308 1 9 . 1 1 95 95 ALA H H 95 7.706 7.706 7.744 -0.038 26047 4309 1 9 . 1 1 96 96 THR N N 96 122.875 122.875 119.810 3.065 26047 4310 1 9 . 1 1 96 96 THR HA H 96 4.650 4.650 4.392 0.258 26047 4311 1 9 . 1 1 96 96 THR C C 96 173.818 173.818 173.775 0.043 26047 4312 1 9 . 1 1 96 96 THR CA C 96 63.778 63.778 63.440 0.338 26047 4313 1 9 . 1 1 96 96 THR CB C 96 69.588 69.588 69.774 -0.186 26047 4314 1 9 . 1 1 96 96 THR H H 96 8.448 8.448 8.201 0.247 26047 4315 1 9 . 1 1 97 97 LEU N N 97 124.809 124.809 125.213 -0.404 26047 4316 1 9 . 1 1 97 97 LEU HA H 97 5.110 5.110 4.699 0.411 26047 4317 1 9 . 1 1 97 97 LEU C C 97 175.041 175.041 175.255 -0.214 26047 4318 1 9 . 1 1 97 97 LEU CA C 97 52.832 52.832 53.891 -1.059 26047 4319 1 9 . 1 1 97 97 LEU CB C 97 46.391 46.391 45.220 1.171 26047 4320 1 9 . 1 1 97 97 LEU H H 97 8.725 8.725 9.058 -0.333 26047 4321 1 9 . 1 1 98 98 VAL N N 98 121.081 121.081 119.078 2.003 26047 4322 1 9 . 1 1 98 98 VAL HA H 98 5.215 5.215 4.530 0.685 26047 4323 1 9 . 1 1 98 98 VAL C C 98 175.150 175.150 174.436 0.714 26047 4324 1 9 . 1 1 98 98 VAL CA C 98 60.662 60.662 61.195 -0.533 26047 4325 1 9 . 1 1 98 98 VAL CB C 98 34.355 34.355 33.504 0.851 26047 4326 1 9 . 1 1 98 98 VAL H H 98 8.692 8.692 8.603 0.089 26047 4327 1 9 . 1 1 99 99 PHE N N 99 123.638 123.638 125.644 -2.006 26047 4328 1 9 . 1 1 99 99 PHE HA H 99 5.754 5.754 5.632 0.122 26047 4329 1 9 . 1 1 99 99 PHE C C 99 174.328 174.328 174.143 0.185 26047 4330 1 9 . 1 1 99 99 PHE CA C 99 55.196 55.196 56.501 -1.305 26047 4331 1 9 . 1 1 99 99 PHE CB C 99 43.396 43.396 43.587 -0.191 26047 4332 1 9 . 1 1 99 99 PHE H H 99 9.724 9.724 9.368 0.356 26047 4333 1 9 . 1 1 100 100 ASP N N 100 124.358 124.358 124.615 -0.257 26047 4334 1 9 . 1 1 100 100 ASP HA H 100 5.164 5.164 5.031 0.133 26047 4335 1 9 . 1 1 100 100 ASP C C 100 176.946 176.946 175.195 1.751 26047 4336 1 9 . 1 1 100 100 ASP CA C 100 52.778 52.778 53.185 -0.407 26047 4337 1 9 . 1 1 100 100 ASP CB C 100 42.320 42.320 43.531 -1.211 26047 4338 1 9 . 1 1 100 100 ASP H H 100 8.775 8.775 8.555 0.220 26047 4339 1 9 . 1 1 101 101 VAL N N 101 126.428 126.428 121.478 4.950 26047 4340 1 9 . 1 1 101 101 VAL HA H 101 5.057 5.057 5.583 -0.526 26047 4341 1 9 . 1 1 101 101 VAL C C 101 172.620 172.620 174.123 -1.503 26047 4342 1 9 . 1 1 101 101 VAL CA C 101 61.041 61.041 58.521 2.520 26047 4343 1 9 . 1 1 101 101 VAL CB C 101 35.481 35.481 34.402 1.079 26047 4344 1 9 . 1 1 101 101 VAL H H 101 9.513 9.513 7.738 1.775 26047 4345 1 9 . 1 1 102 102 GLU N N 102 128.393 128.393 120.341 8.052 26047 4346 1 9 . 1 1 102 102 GLU HA H 102 5.392 5.392 4.872 0.520 26047 4347 1 9 . 1 1 102 102 GLU C C 102 175.174 175.174 175.024 0.150 26047 4348 1 9 . 1 1 102 102 GLU CA C 102 53.979 53.979 53.936 0.043 26047 4349 1 9 . 1 1 102 102 GLU CB C 102 33.852 33.852 32.645 1.208 26047 4350 1 9 . 1 1 102 102 GLU H H 102 9.285 9.285 8.119 1.166 26047 4351 1 9 . 1 1 103 103 LEU N N 103 128.290 128.290 125.828 2.462 26047 4352 1 9 . 1 1 103 103 LEU HA H 103 4.671 4.671 4.320 0.351 26047 4353 1 9 . 1 1 103 103 LEU C C 103 174.266 174.266 175.841 -1.575 26047 4354 1 9 . 1 1 103 103 LEU CA C 103 54.356 54.356 54.658 -0.302 26047 4355 1 9 . 1 1 103 103 LEU CB C 103 41.465 41.465 40.484 0.981 26047 4356 1 9 . 1 1 103 103 LEU H H 103 8.613 8.613 8.781 -0.168 26047 4357 1 10 . 1 1 -2 -2 PRO HA H -2 4.485 4.485 4.765 -0.280 26047 4358 1 10 . 1 1 -2 -2 PRO C C -2 176.570 176.570 176.262 0.308 26047 4359 1 10 . 1 1 -2 -2 PRO CA C -2 63.243 63.243 62.969 0.274 26047 4360 1 10 . 1 1 -2 -2 PRO CB C -2 32.290 32.290 32.288 0.002 26047 4361 1 10 . 1 1 -1 -1 SER N N -1 116.659 116.659 117.205 -0.546 26047 4362 1 10 . 1 1 -1 -1 SER HA H -1 4.422 4.422 4.712 -0.290 26047 4363 1 10 . 1 1 -1 -1 SER C C -1 174.384 174.384 174.079 0.305 26047 4364 1 10 . 1 1 -1 -1 SER CA C -1 58.230 58.230 57.958 0.272 26047 4365 1 10 . 1 1 -1 -1 SER CB C -1 63.838 63.838 65.488 -1.650 26047 4366 1 10 . 1 1 -1 -1 SER H H -1 8.542 8.542 8.371 0.171 26047 4367 1 10 . 1 1 0 0 MET N N 0 122.115 122.115 121.681 0.434 26047 4368 1 10 . 1 1 0 0 MET HA H 0 4.441 4.441 4.636 -0.195 26047 4369 1 10 . 1 1 0 0 MET C C 0 176.182 176.182 176.826 -0.644 26047 4370 1 10 . 1 1 0 0 MET CA C 0 55.346 55.346 55.793 -0.447 26047 4371 1 10 . 1 1 0 0 MET CB C 0 33.248 33.248 33.583 -0.335 26047 4372 1 10 . 1 1 0 0 MET H H 0 8.356 8.356 8.466 -0.110 26047 4373 1 10 . 1 1 1 1 GLY N N 1 110.724 110.724 106.920 3.804 26047 4374 1 10 . 1 1 1 1 GLY C C 1 172.468 172.468 172.915 -0.447 26047 4375 1 10 . 1 1 1 1 GLY CA C 1 45.585 45.585 44.701 0.884 26047 4376 1 10 . 1 1 1 1 GLY H H 1 8.157 8.157 8.083 0.074 26047 4377 1 10 . 1 1 2 2 VAL N N 2 117.765 117.765 122.241 -4.476 26047 4378 1 10 . 1 1 2 2 VAL HA H 2 4.889 4.889 5.083 -0.194 26047 4379 1 10 . 1 1 2 2 VAL C C 2 173.396 173.396 174.438 -1.042 26047 4380 1 10 . 1 1 2 2 VAL CA C 2 59.731 59.731 59.769 -0.038 26047 4381 1 10 . 1 1 2 2 VAL CB C 2 34.600 34.600 33.881 0.719 26047 4382 1 10 . 1 1 2 2 VAL H H 2 7.471 7.471 7.269 0.202 26047 4383 1 10 . 1 1 3 3 GLN N N 3 126.962 126.962 128.672 -1.710 26047 4384 1 10 . 1 1 3 3 GLN HA H 3 4.686 4.686 4.690 -0.004 26047 4385 1 10 . 1 1 3 3 GLN C C 3 174.658 174.658 174.350 0.308 26047 4386 1 10 . 1 1 3 3 GLN CA C 3 54.379 54.379 54.768 -0.389 26047 4387 1 10 . 1 1 3 3 GLN CB C 3 31.669 31.669 31.336 0.333 26047 4388 1 10 . 1 1 3 3 GLN H H 3 8.514 8.514 8.155 0.359 26047 4389 1 10 . 1 1 4 4 VAL N N 4 125.396 125.396 123.229 2.167 26047 4390 1 10 . 1 1 4 4 VAL HA H 4 4.520 4.520 4.362 0.158 26047 4391 1 10 . 1 1 4 4 VAL C C 4 175.411 175.411 174.685 0.726 26047 4392 1 10 . 1 1 4 4 VAL CA C 4 61.993 61.993 61.156 0.838 26047 4393 1 10 . 1 1 4 4 VAL CB C 4 33.355 33.355 33.376 -0.021 26047 4394 1 10 . 1 1 4 4 VAL H H 4 8.823 8.823 8.624 0.199 26047 4395 1 10 . 1 1 5 5 GLU N N 5 128.706 128.706 128.383 0.323 26047 4396 1 10 . 1 1 5 5 GLU HA H 5 4.782 4.782 4.653 0.129 26047 4397 1 10 . 1 1 5 5 GLU C C 5 175.830 175.830 175.312 0.518 26047 4398 1 10 . 1 1 5 5 GLU CA C 5 54.451 54.451 54.501 -0.050 26047 4399 1 10 . 1 1 5 5 GLU CB C 5 32.818 32.818 31.915 0.903 26047 4400 1 10 . 1 1 5 5 GLU H H 5 9.024 9.024 8.577 0.447 26047 4401 1 10 . 1 1 6 6 THR N N 6 124.408 124.408 119.738 4.670 26047 4402 1 10 . 1 1 6 6 THR HA H 6 3.898 3.898 4.236 -0.338 26047 4403 1 10 . 1 1 6 6 THR C C 6 173.675 173.675 174.158 -0.483 26047 4404 1 10 . 1 1 6 6 THR CA C 6 66.715 66.715 63.750 2.965 26047 4405 1 10 . 1 1 6 6 THR CB C 6 68.934 68.934 69.216 -0.282 26047 4406 1 10 . 1 1 6 6 THR H H 6 9.173 9.173 8.661 0.512 26047 4407 1 10 . 1 1 7 7 ILE N N 7 129.476 129.476 126.845 2.631 26047 4408 1 10 . 1 1 7 7 ILE HA H 7 4.071 4.071 4.312 -0.241 26047 4409 1 10 . 1 1 7 7 ILE C C 7 175.768 175.768 176.346 -0.578 26047 4410 1 10 . 1 1 7 7 ILE CA C 7 63.285 63.285 61.889 1.396 26047 4411 1 10 . 1 1 7 7 ILE CB C 7 39.659 39.659 39.385 0.274 26047 4412 1 10 . 1 1 7 7 ILE H H 7 9.329 9.329 9.055 0.274 26047 4413 1 10 . 1 1 8 8 SER N N 8 114.774 114.774 115.567 -0.793 26047 4414 1 10 . 1 1 8 8 SER HA H 8 4.987 4.987 4.966 0.021 26047 4415 1 10 . 1 1 8 8 SER C C 8 171.895 171.895 172.108 -0.213 26047 4416 1 10 . 1 1 8 8 SER CA C 8 55.577 55.577 54.731 0.846 26047 4417 1 10 . 1 1 8 8 SER CB C 8 64.384 64.384 64.702 -0.318 26047 4418 1 10 . 1 1 8 8 SER H H 8 8.300 8.300 8.015 0.285 26047 4419 1 10 . 1 1 9 9 PRO HA H 9 4.331 4.331 4.600 -0.269 26047 4420 1 10 . 1 1 9 9 PRO C C 9 177.628 177.628 176.708 0.920 26047 4421 1 10 . 1 1 9 9 PRO CA C 9 63.646 63.646 62.413 1.233 26047 4422 1 10 . 1 1 9 9 PRO CB C 9 32.910 32.910 32.803 0.107 26047 4423 1 10 . 1 1 10 10 GLY N N 10 107.910 107.910 112.295 -4.385 26047 4424 1 10 . 1 1 10 10 GLY C C 10 174.203 174.203 174.101 0.102 26047 4425 1 10 . 1 1 10 10 GLY CA C 10 44.176 44.176 45.051 -0.875 26047 4426 1 10 . 1 1 10 10 GLY H H 10 8.464 8.464 8.129 0.335 26047 4427 1 10 . 1 1 11 11 ASP N N 11 118.911 118.911 121.380 -2.469 26047 4428 1 10 . 1 1 11 11 ASP HA H 11 4.289 4.289 4.552 -0.263 26047 4429 1 10 . 1 1 11 11 ASP C C 11 178.317 178.317 177.337 0.980 26047 4430 1 10 . 1 1 11 11 ASP CA C 11 54.629 54.629 55.264 -0.635 26047 4431 1 10 . 1 1 11 11 ASP CB C 11 39.382 39.382 42.126 -2.744 26047 4432 1 10 . 1 1 11 11 ASP H H 11 8.049 8.049 8.042 0.007 26047 4433 1 10 . 1 1 12 12 GLY N N 12 108.262 108.262 107.408 0.854 26047 4434 1 10 . 1 1 12 12 GLY C C 12 173.279 173.279 174.396 -1.117 26047 4435 1 10 . 1 1 12 12 GLY CA C 12 46.049 46.049 45.870 0.179 26047 4436 1 10 . 1 1 12 12 GLY H H 12 8.719 8.719 8.116 0.603 26047 4437 1 10 . 1 1 13 13 ARG N N 13 117.671 117.671 116.926 0.745 26047 4438 1 10 . 1 1 13 13 ARG HA H 13 4.709 4.709 4.658 0.051 26047 4439 1 10 . 1 1 13 13 ARG C C 13 175.038 175.038 174.846 0.192 26047 4440 1 10 . 1 1 13 13 ARG CA C 13 56.794 56.794 55.738 1.056 26047 4441 1 10 . 1 1 13 13 ARG CB C 13 34.416 34.416 31.585 2.830 26047 4442 1 10 . 1 1 13 13 ARG H H 13 8.539 8.539 8.026 0.513 26047 4443 1 10 . 1 1 14 14 THR N N 14 125.323 125.323 118.158 7.165 26047 4444 1 10 . 1 1 14 14 THR HA H 14 4.205 4.205 4.619 -0.414 26047 4445 1 10 . 1 1 14 14 THR C C 14 172.353 172.353 172.841 -0.488 26047 4446 1 10 . 1 1 14 14 THR CA C 14 62.060 62.060 61.844 0.215 26047 4447 1 10 . 1 1 14 14 THR CB C 14 66.395 66.395 68.924 -2.530 26047 4448 1 10 . 1 1 14 14 THR H H 14 10.197 10.197 7.593 2.604 26047 4449 1 10 . 1 1 15 15 PHE N N 15 124.865 124.865 126.267 -1.402 26047 4450 1 10 . 1 1 15 15 PHE HA H 15 5.232 5.232 5.092 0.140 26047 4451 1 10 . 1 1 15 15 PHE C C 15 174.388 174.388 174.724 -0.336 26047 4452 1 10 . 1 1 15 15 PHE CA C 15 54.495 54.495 55.221 -0.726 26047 4453 1 10 . 1 1 15 15 PHE CB C 15 39.883 39.883 39.775 0.108 26047 4454 1 10 . 1 1 15 15 PHE H H 15 8.086 8.086 8.624 -0.538 26047 4455 1 10 . 1 1 19 19 GLY N N 19 112.901 112.901 112.554 0.347 26047 4456 1 10 . 1 1 19 19 GLY C C 19 174.204 174.204 173.267 0.937 26047 4457 1 10 . 1 1 19 19 GLY CA C 19 44.943 44.943 44.892 0.051 26047 4458 1 10 . 1 1 19 19 GLY H H 19 8.682 8.682 8.361 0.321 26047 4459 1 10 . 1 1 20 20 GLN N N 20 118.698 118.698 119.947 -1.249 26047 4460 1 10 . 1 1 20 20 GLN HA H 20 4.497 4.497 4.581 -0.084 26047 4461 1 10 . 1 1 20 20 GLN C C 20 174.974 174.974 174.913 0.061 26047 4462 1 10 . 1 1 20 20 GLN CA C 20 56.335 56.335 54.203 2.131 26047 4463 1 10 . 1 1 20 20 GLN CB C 20 30.891 30.891 29.749 1.142 26047 4464 1 10 . 1 1 20 20 GLN H H 20 8.103 8.103 7.686 0.417 26047 4465 1 10 . 1 1 21 21 THR N N 21 119.715 119.715 116.039 3.676 26047 4466 1 10 . 1 1 21 21 THR HA H 21 4.457 4.457 4.735 -0.278 26047 4467 1 10 . 1 1 21 21 THR C C 21 173.797 173.797 174.168 -0.371 26047 4468 1 10 . 1 1 21 21 THR CA C 21 63.067 63.067 62.058 1.009 26047 4469 1 10 . 1 1 21 21 THR CB C 21 68.825 68.825 69.446 -0.621 26047 4470 1 10 . 1 1 21 21 THR H H 21 8.729 8.729 8.454 0.275 26047 4471 1 10 . 1 1 22 22 CYS N N 22 126.008 126.008 124.743 1.265 26047 4472 1 10 . 1 1 22 22 CYS HA H 22 4.269 4.269 4.645 -0.376 26047 4473 1 10 . 1 1 22 22 CYS C C 22 172.458 172.458 173.244 -0.786 26047 4474 1 10 . 1 1 22 22 CYS CA C 22 58.011 58.011 56.526 1.485 26047 4475 1 10 . 1 1 22 22 CYS CB C 22 28.794 28.794 28.667 0.127 26047 4476 1 10 . 1 1 22 22 CYS H H 22 8.826 8.826 8.387 0.439 26047 4477 1 10 . 1 1 23 23 VAL N N 23 123.456 123.456 130.329 -6.873 26047 4478 1 10 . 1 1 23 23 VAL HA H 23 4.595 4.595 4.374 0.221 26047 4479 1 10 . 1 1 23 23 VAL C C 23 175.899 175.899 174.935 0.964 26047 4480 1 10 . 1 1 23 23 VAL CA C 23 61.411 61.411 62.348 -0.937 26047 4481 1 10 . 1 1 23 23 VAL CB C 23 31.277 31.277 30.960 0.317 26047 4482 1 10 . 1 1 23 23 VAL H H 23 8.063 8.063 8.799 -0.736 26047 4483 1 10 . 1 1 24 24 VAL N N 24 118.126 118.126 121.462 -3.336 26047 4484 1 10 . 1 1 24 24 VAL HA H 24 5.852 5.852 4.999 0.853 26047 4485 1 10 . 1 1 24 24 VAL C C 24 175.589 175.589 174.308 1.281 26047 4486 1 10 . 1 1 24 24 VAL CA C 24 57.962 57.962 59.284 -1.322 26047 4487 1 10 . 1 1 24 24 VAL CB C 24 35.885 35.885 35.686 0.199 26047 4488 1 10 . 1 1 24 24 VAL H H 24 9.620 9.620 8.812 0.808 26047 4489 1 10 . 1 1 25 25 HIS N N 25 118.824 118.824 122.947 -4.123 26047 4490 1 10 . 1 1 25 25 HIS HA H 25 5.865 5.865 5.212 0.653 26047 4491 1 10 . 1 1 25 25 HIS C C 25 176.663 176.663 174.913 1.750 26047 4492 1 10 . 1 1 25 25 HIS CA C 25 54.463 54.463 55.338 -0.875 26047 4493 1 10 . 1 1 25 25 HIS CB C 25 35.454 35.454 31.882 3.572 26047 4494 1 10 . 1 1 25 25 HIS H H 25 8.579 8.579 8.234 0.345 26047 4495 1 10 . 1 1 26 26 TYR N N 26 118.524 118.524 123.460 -4.936 26047 4496 1 10 . 1 1 26 26 TYR HA H 26 6.441 6.441 5.645 0.796 26047 4497 1 10 . 1 1 26 26 TYR C C 26 173.864 173.864 174.711 -0.847 26047 4498 1 10 . 1 1 26 26 TYR CA C 26 55.934 55.934 55.184 0.750 26047 4499 1 10 . 1 1 26 26 TYR CB C 26 44.380 44.380 40.972 3.408 26047 4500 1 10 . 1 1 26 26 TYR H H 26 9.937 9.937 9.111 0.826 26047 4501 1 10 . 1 1 27 27 THR N N 27 117.098 117.098 114.631 2.467 26047 4502 1 10 . 1 1 27 27 THR HA H 27 4.482 4.482 4.423 0.059 26047 4503 1 10 . 1 1 27 27 THR C C 27 172.648 172.648 173.388 -0.740 26047 4504 1 10 . 1 1 27 27 THR CA C 27 63.163 63.163 61.989 1.174 26047 4505 1 10 . 1 1 27 27 THR CB C 27 72.324 72.324 70.045 2.279 26047 4506 1 10 . 1 1 27 27 THR H H 27 8.716 8.716 8.726 -0.010 26047 4507 1 10 . 1 1 28 28 GLY N N 28 115.590 115.590 113.983 1.607 26047 4508 1 10 . 1 1 28 28 GLY C C 28 171.083 171.083 171.603 -0.520 26047 4509 1 10 . 1 1 28 28 GLY CA C 28 45.419 45.419 43.398 2.022 26047 4510 1 10 . 1 1 28 28 GLY H H 28 9.316 9.316 8.548 0.768 26047 4511 1 10 . 1 1 29 29 MET N N 29 125.723 125.723 124.263 1.460 26047 4512 1 10 . 1 1 29 29 MET HA H 29 5.251 5.251 4.556 0.695 26047 4513 1 10 . 1 1 29 29 MET C C 29 175.508 175.508 175.541 -0.033 26047 4514 1 10 . 1 1 29 29 MET CA C 29 54.221 54.221 54.245 -0.024 26047 4515 1 10 . 1 1 29 29 MET CB C 29 37.913 37.913 36.808 1.105 26047 4516 1 10 . 1 1 29 29 MET H H 29 9.192 9.192 8.722 0.470 26047 4517 1 10 . 1 1 30 30 LEU N N 30 119.150 119.150 123.634 -4.484 26047 4518 1 10 . 1 1 30 30 LEU HA H 30 4.772 4.772 4.221 0.551 26047 4519 1 10 . 1 1 30 30 LEU C C 30 179.278 179.278 178.733 0.545 26047 4520 1 10 . 1 1 30 30 LEU CA C 30 54.169 54.169 56.006 -1.837 26047 4521 1 10 . 1 1 30 30 LEU CB C 30 41.634 41.634 42.605 -0.971 26047 4522 1 10 . 1 1 30 30 LEU H H 30 8.433 8.433 8.797 -0.364 26047 4523 1 10 . 1 1 31 31 GLU N N 31 120.636 120.636 120.963 -0.327 26047 4524 1 10 . 1 1 31 31 GLU HA H 31 3.816 3.816 4.006 -0.190 26047 4525 1 10 . 1 1 31 31 GLU C C 31 176.568 176.568 177.452 -0.884 26047 4526 1 10 . 1 1 31 31 GLU CA C 31 59.788 59.788 59.238 0.550 26047 4527 1 10 . 1 1 31 31 GLU CB C 31 29.883 29.883 29.699 0.184 26047 4528 1 10 . 1 1 31 31 GLU H H 31 9.110 9.110 8.985 0.125 26047 4529 1 10 . 1 1 32 32 ASP N N 32 115.429 115.429 115.211 0.218 26047 4530 1 10 . 1 1 32 32 ASP HA H 32 4.420 4.420 4.697 -0.277 26047 4531 1 10 . 1 1 32 32 ASP C C 32 177.209 177.209 176.261 0.948 26047 4532 1 10 . 1 1 32 32 ASP CA C 32 53.556 53.556 54.424 -0.868 26047 4533 1 10 . 1 1 32 32 ASP CB C 32 40.030 40.030 41.529 -1.499 26047 4534 1 10 . 1 1 32 32 ASP H H 32 7.826 7.826 8.315 -0.489 26047 4535 1 10 . 1 1 37 37 ASP N N 37 118.871 118.871 121.824 -2.953 26047 4536 1 10 . 1 1 37 37 ASP HA H 37 4.827 4.827 4.701 0.126 26047 4537 1 10 . 1 1 37 37 ASP C C 37 174.807 174.807 174.061 0.746 26047 4538 1 10 . 1 1 37 37 ASP CA C 37 54.739 54.739 55.325 -0.586 26047 4539 1 10 . 1 1 37 37 ASP CB C 37 44.386 44.386 43.935 0.451 26047 4540 1 10 . 1 1 37 37 ASP H H 37 6.765 6.765 7.680 -0.915 26047 4541 1 10 . 1 1 38 38 SER N N 38 118.532 118.532 117.461 1.071 26047 4542 1 10 . 1 1 38 38 SER HA H 38 4.581 4.581 4.550 0.031 26047 4543 1 10 . 1 1 38 38 SER C C 38 174.967 174.967 174.890 0.077 26047 4544 1 10 . 1 1 38 38 SER CA C 38 57.033 57.033 55.605 1.428 26047 4545 1 10 . 1 1 38 38 SER CB C 38 64.862 64.862 65.109 -0.247 26047 4546 1 10 . 1 1 38 38 SER H H 38 8.196 8.196 8.252 -0.056 26047 4547 1 10 . 1 1 39 39 SER N N 39 124.920 124.920 122.270 2.650 26047 4548 1 10 . 1 1 39 39 SER HA H 39 4.131 4.131 4.420 -0.289 26047 4549 1 10 . 1 1 39 39 SER C C 39 177.101 177.101 176.578 0.523 26047 4550 1 10 . 1 1 39 39 SER CA C 39 61.690 61.690 60.414 1.276 26047 4551 1 10 . 1 1 39 39 SER CB C 39 61.632 61.632 63.488 -1.856 26047 4552 1 10 . 1 1 39 39 SER H H 39 7.872 7.872 8.041 -0.169 26047 4553 1 10 . 1 1 40 40 ARG N N 40 124.309 124.309 120.353 3.956 26047 4554 1 10 . 1 1 40 40 ARG HA H 40 3.607 3.607 4.198 -0.591 26047 4555 1 10 . 1 1 40 40 ARG C C 40 179.844 179.844 178.422 1.422 26047 4556 1 10 . 1 1 40 40 ARG CA C 40 58.859 58.859 58.266 0.593 26047 4557 1 10 . 1 1 40 40 ARG CB C 40 28.763 28.763 29.103 -0.340 26047 4558 1 10 . 1 1 40 40 ARG H H 40 7.617 7.617 7.755 -0.138 26047 4559 1 10 . 1 1 41 41 ASP N N 41 118.394 118.394 119.977 -1.583 26047 4560 1 10 . 1 1 41 41 ASP HA H 41 4.314 4.314 4.454 -0.140 26047 4561 1 10 . 1 1 41 41 ASP C C 41 176.750 176.750 177.111 -0.361 26047 4562 1 10 . 1 1 41 41 ASP CA C 41 56.536 56.536 56.551 -0.015 26047 4563 1 10 . 1 1 41 41 ASP CB C 41 40.095 40.095 40.719 -0.624 26047 4564 1 10 . 1 1 41 41 ASP H H 41 7.079 7.079 7.985 -0.906 26047 4565 1 10 . 1 1 42 42 ARG N N 42 115.037 115.037 116.377 -1.340 26047 4566 1 10 . 1 1 42 42 ARG HA H 42 4.431 4.431 4.404 0.027 26047 4567 1 10 . 1 1 42 42 ARG C C 42 175.430 175.430 175.734 -0.304 26047 4568 1 10 . 1 1 42 42 ARG CA C 42 56.099 56.099 55.442 0.657 26047 4569 1 10 . 1 1 42 42 ARG CB C 42 31.577 31.577 30.875 0.702 26047 4570 1 10 . 1 1 42 42 ARG H H 42 6.859 6.859 7.675 -0.816 26047 4571 1 10 . 1 1 49 49 MET N N 49 123.105 123.105 120.674 2.431 26047 4572 1 10 . 1 1 49 49 MET HA H 49 4.681 4.681 4.908 -0.227 26047 4573 1 10 . 1 1 49 49 MET C C 49 176.492 176.492 174.983 1.509 26047 4574 1 10 . 1 1 49 49 MET CA C 49 54.487 54.487 54.569 -0.082 26047 4575 1 10 . 1 1 49 49 MET CB C 49 33.755 33.755 34.696 -0.941 26047 4576 1 10 . 1 1 49 49 MET H H 49 9.261 9.261 8.383 0.878 26047 4577 1 10 . 1 1 50 50 LEU N N 50 131.689 131.689 123.624 8.065 26047 4578 1 10 . 1 1 50 50 LEU HA H 50 4.210 4.210 4.778 -0.568 26047 4579 1 10 . 1 1 50 50 LEU C C 50 177.825 177.825 178.035 -0.210 26047 4580 1 10 . 1 1 50 50 LEU CA C 50 57.249 57.249 54.103 3.146 26047 4581 1 10 . 1 1 50 50 LEU CB C 50 41.752 41.752 41.560 0.192 26047 4582 1 10 . 1 1 50 50 LEU H H 50 8.633 8.633 7.845 0.788 26047 4583 1 10 . 1 1 54 54 GLU N N 54 117.417 117.417 119.595 -2.178 26047 4584 1 10 . 1 1 54 54 GLU HA H 54 4.220 4.220 4.305 -0.085 26047 4585 1 10 . 1 1 54 54 GLU C C 54 176.221 176.221 176.068 0.153 26047 4586 1 10 . 1 1 54 54 GLU CA C 54 57.447 57.447 57.980 -0.533 26047 4587 1 10 . 1 1 54 54 GLU CB C 54 31.200 31.200 30.475 0.725 26047 4588 1 10 . 1 1 54 54 GLU H H 54 9.389 9.389 8.889 0.500 26047 4589 1 10 . 1 1 55 55 VAL N N 55 108.426 108.426 114.832 -6.406 26047 4590 1 10 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.226 0.088 26047 4591 1 10 . 1 1 55 55 VAL C C 55 175.226 175.226 175.470 -0.244 26047 4592 1 10 . 1 1 55 55 VAL CA C 55 57.461 57.461 60.213 -2.752 26047 4593 1 10 . 1 1 55 55 VAL CB C 55 35.557 35.557 33.335 2.222 26047 4594 1 10 . 1 1 55 55 VAL H H 55 6.820 6.820 7.415 -0.595 26047 4595 1 10 . 1 1 56 56 ILE N N 56 111.618 111.618 113.327 -1.709 26047 4596 1 10 . 1 1 56 56 ILE HA H 56 3.853 3.853 4.087 -0.234 26047 4597 1 10 . 1 1 56 56 ILE C C 56 177.344 177.344 176.495 0.849 26047 4598 1 10 . 1 1 56 56 ILE CA C 56 61.975 61.975 60.261 1.714 26047 4599 1 10 . 1 1 56 56 ILE CB C 56 38.342 38.342 38.296 0.046 26047 4600 1 10 . 1 1 56 56 ILE H H 56 7.404 7.404 7.407 -0.003 26047 4601 1 10 . 1 1 57 57 ARG N N 57 124.436 124.436 123.720 0.716 26047 4602 1 10 . 1 1 57 57 ARG HA H 57 4.063 4.063 4.029 0.034 26047 4603 1 10 . 1 1 57 57 ARG C C 57 179.428 179.428 178.567 0.861 26047 4604 1 10 . 1 1 57 57 ARG CA C 57 59.838 59.838 59.696 0.142 26047 4605 1 10 . 1 1 57 57 ARG CB C 57 30.630 30.630 30.223 0.407 26047 4606 1 10 . 1 1 57 57 ARG H H 57 8.631 8.631 8.368 0.263 26047 4607 1 10 . 1 1 58 58 GLY N N 58 107.151 107.151 105.065 2.086 26047 4608 1 10 . 1 1 58 58 GLY C C 58 175.210 175.210 175.432 -0.222 26047 4609 1 10 . 1 1 58 58 GLY CA C 58 47.621 47.621 46.628 0.993 26047 4610 1 10 . 1 1 58 58 GLY H H 58 9.688 9.688 7.975 1.713 26047 4611 1 10 . 1 1 59 59 TRP N N 59 119.956 119.956 121.494 -1.538 26047 4612 1 10 . 1 1 59 59 TRP HA H 59 4.227 4.227 4.519 -0.292 26047 4613 1 10 . 1 1 59 59 TRP C C 59 177.529 177.529 178.607 -1.078 26047 4614 1 10 . 1 1 59 59 TRP CA C 59 59.681 59.681 58.655 1.026 26047 4615 1 10 . 1 1 59 59 TRP CB C 59 29.092 29.092 29.392 -0.300 26047 4616 1 10 . 1 1 59 59 TRP H H 59 7.534 7.534 7.505 0.029 26047 4617 1 10 . 1 1 60 60 GLU N N 60 118.374 118.374 119.030 -0.656 26047 4618 1 10 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.210 -0.320 26047 4619 1 10 . 1 1 60 60 GLU C C 60 178.377 178.377 179.343 -0.966 26047 4620 1 10 . 1 1 60 60 GLU CA C 60 61.081 61.081 59.977 1.104 26047 4621 1 10 . 1 1 60 60 GLU CB C 60 29.417 29.417 29.488 -0.071 26047 4622 1 10 . 1 1 60 60 GLU H H 60 7.275 7.275 7.976 -0.701 26047 4623 1 10 . 1 1 61 61 GLU N N 61 113.896 113.896 117.383 -3.487 26047 4624 1 10 . 1 1 61 61 GLU HA H 61 4.149 4.149 4.367 -0.218 26047 4625 1 10 . 1 1 61 61 GLU C C 61 179.320 179.320 178.253 1.067 26047 4626 1 10 . 1 1 61 61 GLU CA C 61 58.633 58.633 58.193 0.440 26047 4627 1 10 . 1 1 61 61 GLU CB C 61 29.872 29.872 29.725 0.147 26047 4628 1 10 . 1 1 61 61 GLU H H 61 8.390 8.390 8.154 0.236 26047 4629 1 10 . 1 1 62 62 GLY N N 62 106.899 106.899 108.198 -1.299 26047 4630 1 10 . 1 1 62 62 GLY C C 62 174.585 174.585 176.518 -1.933 26047 4631 1 10 . 1 1 62 62 GLY CA C 62 47.194 47.194 46.169 1.025 26047 4632 1 10 . 1 1 62 62 GLY H H 62 7.932 7.932 7.716 0.216 26047 4633 1 10 . 1 1 63 63 VAL N N 63 120.730 120.730 122.752 -2.022 26047 4634 1 10 . 1 1 63 63 VAL HA H 63 3.927 3.927 3.880 0.047 26047 4635 1 10 . 1 1 63 63 VAL C C 63 177.334 177.334 177.470 -0.136 26047 4636 1 10 . 1 1 63 63 VAL CA C 63 65.419 65.419 64.141 1.278 26047 4637 1 10 . 1 1 63 63 VAL CB C 63 31.126 31.126 31.485 -0.359 26047 4638 1 10 . 1 1 63 63 VAL H H 63 8.688 8.688 8.600 0.088 26047 4639 1 10 . 1 1 64 64 ALA N N 64 117.132 117.132 120.616 -3.484 26047 4640 1 10 . 1 1 64 64 ALA HA H 64 4.014 4.014 4.311 -0.297 26047 4641 1 10 . 1 1 64 64 ALA C C 64 177.759 177.759 178.165 -0.406 26047 4642 1 10 . 1 1 64 64 ALA CA C 64 54.526 54.526 53.911 0.615 26047 4643 1 10 . 1 1 64 64 ALA CB C 64 18.715 18.715 18.479 0.236 26047 4644 1 10 . 1 1 64 64 ALA H H 64 7.160 7.160 8.040 -0.880 26047 4645 1 10 . 1 1 65 65 GLN N N 65 112.231 112.231 116.198 -3.967 26047 4646 1 10 . 1 1 65 65 GLN HA H 65 4.359 4.359 4.381 -0.022 26047 4647 1 10 . 1 1 65 65 GLN C C 65 175.568 175.568 175.863 -0.295 26047 4648 1 10 . 1 1 65 65 GLN CA C 65 55.459 55.459 55.983 -0.524 26047 4649 1 10 . 1 1 65 65 GLN CB C 65 30.028 30.028 29.586 0.442 26047 4650 1 10 . 1 1 65 65 GLN H H 65 7.143 7.143 7.835 -0.692 26047 4651 1 10 . 1 1 66 66 MET N N 66 122.412 122.412 118.617 3.795 26047 4652 1 10 . 1 1 66 66 MET HA H 66 4.788 4.788 4.802 -0.014 26047 4653 1 10 . 1 1 66 66 MET C C 66 172.467 172.467 175.003 -2.536 26047 4654 1 10 . 1 1 66 66 MET CA C 66 55.118 55.118 54.306 0.812 26047 4655 1 10 . 1 1 66 66 MET CB C 66 35.667 35.667 34.917 0.750 26047 4656 1 10 . 1 1 66 66 MET H H 66 7.965 7.965 7.519 0.446 26047 4657 1 10 . 1 1 67 67 SER N N 67 107.611 107.611 114.216 -6.605 26047 4658 1 10 . 1 1 67 67 SER HA H 67 4.833 4.833 4.469 0.364 26047 4659 1 10 . 1 1 67 67 SER C C 67 176.275 176.275 174.352 1.923 26047 4660 1 10 . 1 1 67 67 SER CA C 67 54.465 54.465 56.002 -1.537 26047 4661 1 10 . 1 1 67 67 SER CB C 67 65.982 65.982 64.854 1.128 26047 4662 1 10 . 1 1 67 67 SER H H 67 8.182 8.182 8.151 0.031 26047 4663 1 10 . 1 1 68 68 VAL N N 68 119.266 119.266 121.026 -1.760 26047 4664 1 10 . 1 1 68 68 VAL HA H 68 3.105 3.105 3.588 -0.483 26047 4665 1 10 . 1 1 68 68 VAL C C 68 176.390 176.390 176.767 -0.377 26047 4666 1 10 . 1 1 68 68 VAL CA C 68 67.074 67.074 65.002 2.072 26047 4667 1 10 . 1 1 68 68 VAL CB C 68 31.503 31.503 30.802 0.701 26047 4668 1 10 . 1 1 68 68 VAL H H 68 7.650 7.650 8.173 -0.523 26047 4669 1 10 . 1 1 69 69 GLY N N 69 116.900 116.900 114.165 2.735 26047 4670 1 10 . 1 1 69 69 GLY C C 69 173.934 173.934 173.789 0.145 26047 4671 1 10 . 1 1 69 69 GLY CA C 69 44.407 44.407 44.953 -0.546 26047 4672 1 10 . 1 1 69 69 GLY H H 69 8.855 8.855 8.669 0.186 26047 4673 1 10 . 1 1 70 70 GLN N N 70 123.210 123.210 120.707 2.503 26047 4674 1 10 . 1 1 70 70 GLN HA H 70 4.035 4.035 4.763 -0.728 26047 4675 1 10 . 1 1 70 70 GLN C C 70 173.663 173.663 174.434 -0.771 26047 4676 1 10 . 1 1 70 70 GLN CA C 70 55.788 55.788 54.836 0.952 26047 4677 1 10 . 1 1 70 70 GLN CB C 70 30.551 30.551 31.392 -0.841 26047 4678 1 10 . 1 1 70 70 GLN H H 70 8.607 8.607 7.940 0.667 26047 4679 1 10 . 1 1 71 71 ARG N N 71 124.586 124.586 125.917 -1.331 26047 4680 1 10 . 1 1 71 71 ARG HA H 71 5.660 5.660 4.865 0.795 26047 4681 1 10 . 1 1 71 71 ARG C C 71 175.582 175.582 173.966 1.616 26047 4682 1 10 . 1 1 71 71 ARG CA C 71 53.936 53.936 54.699 -0.763 26047 4683 1 10 . 1 1 71 71 ARG CB C 71 33.739 33.739 32.673 1.066 26047 4684 1 10 . 1 1 71 71 ARG H H 71 8.802 8.802 8.720 0.082 26047 4685 1 10 . 1 1 75 75 THR N N 75 121.856 121.856 120.587 1.269 26047 4686 1 10 . 1 1 75 75 THR HA H 75 5.052 5.052 4.807 0.245 26047 4687 1 10 . 1 1 75 75 THR C C 75 175.079 175.079 173.472 1.607 26047 4688 1 10 . 1 1 75 75 THR CA C 75 63.355 63.355 62.206 1.149 26047 4689 1 10 . 1 1 75 75 THR CB C 75 68.790 68.790 69.254 -0.464 26047 4690 1 10 . 1 1 75 75 THR H H 75 8.884 8.884 8.601 0.283 26047 4691 1 10 . 1 1 76 76 ILE N N 76 129.859 129.859 128.549 1.310 26047 4692 1 10 . 1 1 76 76 ILE HA H 76 4.680 4.680 4.548 0.132 26047 4693 1 10 . 1 1 76 76 ILE C C 76 173.943 173.943 175.289 -1.346 26047 4694 1 10 . 1 1 76 76 ILE CA C 76 60.898 60.898 58.706 2.192 26047 4695 1 10 . 1 1 76 76 ILE CB C 76 41.236 41.236 38.734 2.502 26047 4696 1 10 . 1 1 76 76 ILE H H 76 9.864 9.864 8.542 1.322 26047 4697 1 10 . 1 1 77 77 SER N N 77 123.243 123.243 121.818 1.425 26047 4698 1 10 . 1 1 77 77 SER HA H 77 4.732 4.732 5.060 -0.328 26047 4699 1 10 . 1 1 77 77 SER C C 77 173.647 173.647 174.357 -0.710 26047 4700 1 10 . 1 1 77 77 SER CA C 77 57.726 57.726 55.539 2.187 26047 4701 1 10 . 1 1 77 77 SER CB C 77 62.763 62.763 63.534 -0.771 26047 4702 1 10 . 1 1 77 77 SER H H 77 8.612 8.612 8.835 -0.223 26047 4703 1 10 . 1 1 78 78 PRO HA H 78 4.488 4.488 4.407 0.081 26047 4704 1 10 . 1 1 78 78 PRO C C 78 180.133 180.133 177.052 3.081 26047 4705 1 10 . 1 1 78 78 PRO CA C 78 65.828 65.828 65.107 0.721 26047 4706 1 10 . 1 1 78 78 PRO CB C 78 30.995 30.995 32.041 -1.046 26047 4707 1 10 . 1 1 79 79 ASP N N 79 115.934 115.934 115.803 0.131 26047 4708 1 10 . 1 1 79 79 ASP HA H 79 4.390 4.390 4.561 -0.171 26047 4709 1 10 . 1 1 79 79 ASP C C 79 176.810 176.810 177.316 -0.506 26047 4710 1 10 . 1 1 79 79 ASP CA C 79 56.159 56.159 56.443 -0.284 26047 4711 1 10 . 1 1 79 79 ASP CB C 79 39.361 39.361 41.025 -1.664 26047 4712 1 10 . 1 1 79 79 ASP H H 79 8.799 8.799 8.697 0.102 26047 4713 1 10 . 1 1 80 80 TYR N N 80 120.969 120.969 118.949 2.020 26047 4714 1 10 . 1 1 80 80 TYR HA H 80 4.377 4.377 4.509 -0.132 26047 4715 1 10 . 1 1 80 80 TYR C C 80 173.332 173.332 175.869 -2.537 26047 4716 1 10 . 1 1 80 80 TYR CA C 80 57.597 57.597 59.712 -2.115 26047 4717 1 10 . 1 1 80 80 TYR CB C 80 38.903 38.903 39.720 -0.817 26047 4718 1 10 . 1 1 80 80 TYR H H 80 8.116 8.116 7.763 0.353 26047 4719 1 10 . 1 1 81 81 ALA N N 81 125.669 125.669 122.937 2.732 26047 4720 1 10 . 1 1 81 81 ALA HA H 81 4.421 4.421 4.021 0.400 26047 4721 1 10 . 1 1 81 81 ALA C C 81 175.888 175.888 177.375 -1.487 26047 4722 1 10 . 1 1 81 81 ALA CA C 81 51.701 51.701 54.497 -2.796 26047 4723 1 10 . 1 1 81 81 ALA CB C 81 19.334 19.334 19.152 0.182 26047 4724 1 10 . 1 1 81 81 ALA H H 81 7.801 7.801 8.403 -0.602 26047 4725 1 10 . 1 1 82 82 TYR N N 82 122.080 122.080 114.874 7.206 26047 4726 1 10 . 1 1 82 82 TYR HA H 82 4.566 4.566 4.585 -0.019 26047 4727 1 10 . 1 1 82 82 TYR C C 82 176.653 176.653 176.559 0.094 26047 4728 1 10 . 1 1 82 82 TYR CA C 82 58.865 58.865 58.315 0.550 26047 4729 1 10 . 1 1 82 82 TYR CB C 82 37.995 37.995 41.784 -3.789 26047 4730 1 10 . 1 1 82 82 TYR H H 82 9.321 9.321 7.620 1.701 26047 4731 1 10 . 1 1 83 83 GLY N N 83 108.394 108.394 106.453 1.941 26047 4732 1 10 . 1 1 83 83 GLY C C 83 175.214 175.214 172.759 2.455 26047 4733 1 10 . 1 1 83 83 GLY CA C 83 46.827 46.827 45.324 1.503 26047 4734 1 10 . 1 1 83 83 GLY H H 83 8.535 8.535 7.934 0.601 26047 4735 1 10 . 1 1 84 84 ALA HA H 84 3.273 3.273 4.239 -0.966 26047 4736 1 10 . 1 1 84 84 ALA C C 84 177.536 177.536 177.934 -0.398 26047 4737 1 10 . 1 1 84 84 ALA CA C 84 53.514 53.514 53.574 -0.060 26047 4738 1 10 . 1 1 84 84 ALA CB C 84 19.318 19.318 19.026 0.291 26047 4739 1 10 . 1 1 85 85 THR N N 85 109.341 109.341 113.411 -4.070 26047 4740 1 10 . 1 1 85 85 THR HA H 85 4.038 4.038 4.227 -0.189 26047 4741 1 10 . 1 1 85 85 THR C C 85 177.149 177.149 175.102 2.047 26047 4742 1 10 . 1 1 85 85 THR CA C 85 64.040 64.040 62.246 1.794 26047 4743 1 10 . 1 1 85 85 THR CB C 85 69.466 69.466 69.654 -0.188 26047 4744 1 10 . 1 1 85 85 THR H H 85 7.927 7.927 7.971 -0.044 26047 4745 1 10 . 1 1 86 86 GLY N N 86 106.961 106.961 109.452 -2.491 26047 4746 1 10 . 1 1 86 86 GLY C C 86 171.567 171.567 172.829 -1.262 26047 4747 1 10 . 1 1 86 86 GLY CA C 86 45.151 45.151 44.489 0.662 26047 4748 1 10 . 1 1 86 86 GLY H H 86 7.341 7.341 7.644 -0.303 26047 4749 1 10 . 1 1 87 87 HIS N N 87 121.870 121.870 120.157 1.713 26047 4750 1 10 . 1 1 87 87 HIS HA H 87 4.967 4.967 4.654 0.313 26047 4751 1 10 . 1 1 87 87 HIS C C 87 172.750 172.750 173.690 -0.940 26047 4752 1 10 . 1 1 87 87 HIS CA C 87 53.029 53.029 52.650 0.379 26047 4753 1 10 . 1 1 87 87 HIS CB C 87 32.349 32.349 30.588 1.761 26047 4754 1 10 . 1 1 87 87 HIS H H 87 8.799 8.799 7.987 0.812 26047 4755 1 10 . 1 1 88 88 PRO HA H 88 4.132 4.132 4.306 -0.174 26047 4756 1 10 . 1 1 88 88 PRO C C 88 176.585 176.585 177.470 -0.885 26047 4757 1 10 . 1 1 88 88 PRO CA C 88 65.123 65.123 63.676 1.447 26047 4758 1 10 . 1 1 88 88 PRO CB C 88 31.851 31.851 31.763 0.088 26047 4759 1 10 . 1 1 89 89 GLY N N 89 113.445 113.445 112.987 0.458 26047 4760 1 10 . 1 1 89 89 GLY C C 89 174.030 174.030 174.648 -0.618 26047 4761 1 10 . 1 1 89 89 GLY CA C 89 45.251 45.251 45.151 0.100 26047 4762 1 10 . 1 1 89 89 GLY H H 89 8.571 8.571 8.711 -0.140 26047 4763 1 10 . 1 1 90 90 ILE N N 90 118.128 118.128 120.937 -2.809 26047 4764 1 10 . 1 1 90 90 ILE HA H 90 4.252 4.252 4.224 0.028 26047 4765 1 10 . 1 1 90 90 ILE C C 90 174.403 174.403 175.905 -1.502 26047 4766 1 10 . 1 1 90 90 ILE CA C 90 62.855 62.855 62.471 0.384 26047 4767 1 10 . 1 1 90 90 ILE CB C 90 41.565 41.565 39.168 2.397 26047 4768 1 10 . 1 1 90 90 ILE H H 90 8.103 8.103 7.550 0.553 26047 4769 1 10 . 1 1 91 91 ILE N N 91 119.444 119.444 120.196 -0.752 26047 4770 1 10 . 1 1 91 91 ILE HA H 91 4.506 4.506 4.290 0.216 26047 4771 1 10 . 1 1 91 91 ILE C C 91 174.345 174.345 173.922 0.423 26047 4772 1 10 . 1 1 91 91 ILE CA C 91 56.335 56.335 57.053 -0.718 26047 4773 1 10 . 1 1 91 91 ILE CB C 91 40.719 40.719 36.560 4.159 26047 4774 1 10 . 1 1 91 91 ILE H H 91 8.241 8.241 7.569 0.672 26047 4775 1 10 . 1 1 92 92 PRO HA H 92 4.717 4.717 4.655 0.062 26047 4776 1 10 . 1 1 92 92 PRO CB C 92 31.011 31.011 31.290 -0.279 26047 4777 1 10 . 1 1 93 93 PRO HA H 93 3.617 3.617 4.304 -0.687 26047 4778 1 10 . 1 1 93 93 PRO C C 93 175.714 175.714 176.987 -1.273 26047 4779 1 10 . 1 1 93 93 PRO CA C 93 63.618 63.618 63.080 0.538 26047 4780 1 10 . 1 1 93 93 PRO CB C 93 33.171 33.171 32.405 0.766 26047 4781 1 10 . 1 1 94 94 HIS N N 94 115.851 115.851 116.509 -0.658 26047 4782 1 10 . 1 1 94 94 HIS HA H 94 3.804 3.804 4.155 -0.351 26047 4783 1 10 . 1 1 94 94 HIS C C 94 173.821 173.821 173.761 0.060 26047 4784 1 10 . 1 1 94 94 HIS CA C 94 57.145 57.145 57.574 -0.429 26047 4785 1 10 . 1 1 94 94 HIS CB C 94 27.977 27.977 27.730 0.247 26047 4786 1 10 . 1 1 94 94 HIS H H 94 7.934 7.934 8.517 -0.583 26047 4787 1 10 . 1 1 95 95 ALA N N 95 122.072 122.072 120.746 1.326 26047 4788 1 10 . 1 1 95 95 ALA HA H 95 4.459 4.459 4.685 -0.226 26047 4789 1 10 . 1 1 95 95 ALA C C 95 177.246 177.246 175.658 1.588 26047 4790 1 10 . 1 1 95 95 ALA CA C 95 52.728 52.728 50.886 1.842 26047 4791 1 10 . 1 1 95 95 ALA CB C 95 20.567 20.567 21.839 -1.272 26047 4792 1 10 . 1 1 95 95 ALA H H 95 7.706 7.706 7.735 -0.029 26047 4793 1 10 . 1 1 96 96 THR N N 96 122.875 122.875 119.902 2.973 26047 4794 1 10 . 1 1 96 96 THR HA H 96 4.650 4.650 4.446 0.204 26047 4795 1 10 . 1 1 96 96 THR C C 96 173.818 173.818 173.854 -0.036 26047 4796 1 10 . 1 1 96 96 THR CA C 96 63.778 63.778 63.346 0.432 26047 4797 1 10 . 1 1 96 96 THR CB C 96 69.588 69.588 69.805 -0.217 26047 4798 1 10 . 1 1 96 96 THR H H 96 8.448 8.448 8.233 0.215 26047 4799 1 10 . 1 1 97 97 LEU N N 97 124.809 124.809 125.302 -0.493 26047 4800 1 10 . 1 1 97 97 LEU HA H 97 5.110 5.110 4.754 0.356 26047 4801 1 10 . 1 1 97 97 LEU C C 97 175.041 175.041 175.502 -0.461 26047 4802 1 10 . 1 1 97 97 LEU CA C 97 52.832 52.832 53.897 -1.065 26047 4803 1 10 . 1 1 97 97 LEU CB C 97 46.391 46.391 45.322 1.069 26047 4804 1 10 . 1 1 97 97 LEU H H 97 8.725 8.725 9.203 -0.478 26047 4805 1 10 . 1 1 98 98 VAL N N 98 121.081 121.081 118.946 2.135 26047 4806 1 10 . 1 1 98 98 VAL HA H 98 5.215 5.215 4.539 0.676 26047 4807 1 10 . 1 1 98 98 VAL C C 98 175.150 175.150 174.497 0.653 26047 4808 1 10 . 1 1 98 98 VAL CA C 98 60.662 60.662 61.634 -0.972 26047 4809 1 10 . 1 1 98 98 VAL CB C 98 34.355 34.355 33.793 0.562 26047 4810 1 10 . 1 1 98 98 VAL H H 98 8.692 8.692 8.551 0.141 26047 4811 1 10 . 1 1 99 99 PHE N N 99 123.638 123.638 126.659 -3.021 26047 4812 1 10 . 1 1 99 99 PHE HA H 99 5.754 5.754 5.649 0.105 26047 4813 1 10 . 1 1 99 99 PHE C C 99 174.328 174.328 174.220 0.108 26047 4814 1 10 . 1 1 99 99 PHE CA C 99 55.196 55.196 56.135 -0.939 26047 4815 1 10 . 1 1 99 99 PHE CB C 99 43.396 43.396 43.312 0.083 26047 4816 1 10 . 1 1 99 99 PHE H H 99 9.724 9.724 9.374 0.350 26047 4817 1 10 . 1 1 100 100 ASP N N 100 124.358 124.358 124.295 0.063 26047 4818 1 10 . 1 1 100 100 ASP HA H 100 5.164 5.164 5.051 0.113 26047 4819 1 10 . 1 1 100 100 ASP C C 100 176.946 176.946 175.490 1.456 26047 4820 1 10 . 1 1 100 100 ASP CA C 100 52.778 52.778 53.302 -0.524 26047 4821 1 10 . 1 1 100 100 ASP CB C 100 42.320 42.320 43.194 -0.874 26047 4822 1 10 . 1 1 100 100 ASP H H 100 8.775 8.775 8.507 0.268 26047 4823 1 10 . 1 1 101 101 VAL N N 101 126.428 126.428 120.394 6.034 26047 4824 1 10 . 1 1 101 101 VAL HA H 101 5.057 5.057 5.402 -0.345 26047 4825 1 10 . 1 1 101 101 VAL C C 101 172.620 172.620 174.009 -1.389 26047 4826 1 10 . 1 1 101 101 VAL CA C 101 61.041 61.041 59.322 1.719 26047 4827 1 10 . 1 1 101 101 VAL CB C 101 35.481 35.481 34.838 0.643 26047 4828 1 10 . 1 1 101 101 VAL H H 101 9.513 9.513 7.705 1.808 26047 4829 1 10 . 1 1 102 102 GLU N N 102 128.393 128.393 121.228 7.165 26047 4830 1 10 . 1 1 102 102 GLU HA H 102 5.392 5.392 4.928 0.464 26047 4831 1 10 . 1 1 102 102 GLU C C 102 175.174 175.174 175.131 0.043 26047 4832 1 10 . 1 1 102 102 GLU CA C 102 53.979 53.979 53.797 0.182 26047 4833 1 10 . 1 1 102 102 GLU CB C 102 33.852 33.852 32.806 1.046 26047 4834 1 10 . 1 1 102 102 GLU H H 102 9.285 9.285 8.188 1.097 26047 4835 1 10 . 1 1 103 103 LEU N N 103 128.290 128.290 125.725 2.565 26047 4836 1 10 . 1 1 103 103 LEU HA H 103 4.671 4.671 4.321 0.350 26047 4837 1 10 . 1 1 103 103 LEU C C 103 174.266 174.266 175.840 -1.574 26047 4838 1 10 . 1 1 103 103 LEU CA C 103 54.356 54.356 54.700 -0.344 26047 4839 1 10 . 1 1 103 103 LEU CB C 103 41.465 41.465 40.544 0.921 26047 4840 1 10 . 1 1 103 103 LEU H H 103 8.613 8.613 8.762 -0.149 26047 4841 1 11 . 1 1 -2 -2 PRO HA H -2 4.485 4.485 4.612 -0.127 26047 4842 1 11 . 1 1 -2 -2 PRO C C -2 176.570 176.570 176.993 -0.423 26047 4843 1 11 . 1 1 -2 -2 PRO CA C -2 63.243 63.243 63.120 0.123 26047 4844 1 11 . 1 1 -2 -2 PRO CB C -2 32.290 32.290 32.073 0.217 26047 4845 1 11 . 1 1 -1 -1 SER N N -1 116.659 116.659 115.375 1.284 26047 4846 1 11 . 1 1 -1 -1 SER HA H -1 4.422 4.422 4.585 -0.163 26047 4847 1 11 . 1 1 -1 -1 SER C C -1 174.384 174.384 173.842 0.542 26047 4848 1 11 . 1 1 -1 -1 SER CA C -1 58.230 58.230 57.479 0.751 26047 4849 1 11 . 1 1 -1 -1 SER CB C -1 63.838 63.838 64.315 -0.477 26047 4850 1 11 . 1 1 -1 -1 SER H H -1 8.542 8.542 7.841 0.701 26047 4851 1 11 . 1 1 0 0 MET N N 0 122.115 122.115 122.175 -0.060 26047 4852 1 11 . 1 1 0 0 MET HA H 0 4.441 4.441 4.663 -0.222 26047 4853 1 11 . 1 1 0 0 MET C C 0 176.182 176.182 176.109 0.073 26047 4854 1 11 . 1 1 0 0 MET CA C 0 55.346 55.346 55.470 -0.124 26047 4855 1 11 . 1 1 0 0 MET CB C 0 33.248 33.248 35.559 -2.311 26047 4856 1 11 . 1 1 0 0 MET H H 0 8.356 8.356 8.479 -0.123 26047 4857 1 11 . 1 1 1 1 GLY N N 1 110.724 110.724 108.997 1.727 26047 4858 1 11 . 1 1 1 1 GLY C C 1 172.468 172.468 172.930 -0.462 26047 4859 1 11 . 1 1 1 1 GLY CA C 1 45.585 45.585 44.884 0.701 26047 4860 1 11 . 1 1 1 1 GLY H H 1 8.157 8.157 8.337 -0.180 26047 4861 1 11 . 1 1 2 2 VAL N N 2 117.765 117.765 119.980 -2.215 26047 4862 1 11 . 1 1 2 2 VAL HA H 2 4.889 4.889 5.145 -0.256 26047 4863 1 11 . 1 1 2 2 VAL C C 2 173.396 173.396 174.675 -1.279 26047 4864 1 11 . 1 1 2 2 VAL CA C 2 59.731 59.731 59.860 -0.129 26047 4865 1 11 . 1 1 2 2 VAL CB C 2 34.600 34.600 33.329 1.271 26047 4866 1 11 . 1 1 2 2 VAL H H 2 7.471 7.471 7.016 0.455 26047 4867 1 11 . 1 1 3 3 GLN N N 3 126.962 126.962 128.512 -1.550 26047 4868 1 11 . 1 1 3 3 GLN HA H 3 4.686 4.686 4.607 0.079 26047 4869 1 11 . 1 1 3 3 GLN C C 3 174.658 174.658 174.575 0.083 26047 4870 1 11 . 1 1 3 3 GLN CA C 3 54.379 54.379 54.853 -0.474 26047 4871 1 11 . 1 1 3 3 GLN CB C 3 31.669 31.669 31.309 0.360 26047 4872 1 11 . 1 1 3 3 GLN H H 3 8.514 8.514 8.321 0.193 26047 4873 1 11 . 1 1 4 4 VAL N N 4 125.396 125.396 125.178 0.218 26047 4874 1 11 . 1 1 4 4 VAL HA H 4 4.520 4.520 4.324 0.196 26047 4875 1 11 . 1 1 4 4 VAL C C 4 175.411 175.411 175.670 -0.259 26047 4876 1 11 . 1 1 4 4 VAL CA C 4 61.993 61.993 61.789 0.204 26047 4877 1 11 . 1 1 4 4 VAL CB C 4 33.355 33.355 33.257 0.098 26047 4878 1 11 . 1 1 4 4 VAL H H 4 8.823 8.823 8.726 0.097 26047 4879 1 11 . 1 1 5 5 GLU N N 5 128.706 128.706 127.796 0.910 26047 4880 1 11 . 1 1 5 5 GLU HA H 5 4.782 4.782 4.660 0.122 26047 4881 1 11 . 1 1 5 5 GLU C C 5 175.830 175.830 175.661 0.169 26047 4882 1 11 . 1 1 5 5 GLU CA C 5 54.451 54.451 54.515 -0.064 26047 4883 1 11 . 1 1 5 5 GLU CB C 5 32.818 32.818 31.419 1.399 26047 4884 1 11 . 1 1 5 5 GLU H H 5 9.024 9.024 8.670 0.354 26047 4885 1 11 . 1 1 6 6 THR N N 6 124.408 124.408 120.283 4.125 26047 4886 1 11 . 1 1 6 6 THR HA H 6 3.898 3.898 4.209 -0.311 26047 4887 1 11 . 1 1 6 6 THR C C 6 173.675 173.675 174.159 -0.484 26047 4888 1 11 . 1 1 6 6 THR CA C 6 66.715 66.715 63.445 3.270 26047 4889 1 11 . 1 1 6 6 THR CB C 6 68.934 68.934 69.320 -0.386 26047 4890 1 11 . 1 1 6 6 THR H H 6 9.173 9.173 8.648 0.525 26047 4891 1 11 . 1 1 7 7 ILE N N 7 129.476 129.476 127.605 1.871 26047 4892 1 11 . 1 1 7 7 ILE HA H 7 4.071 4.071 4.281 -0.210 26047 4893 1 11 . 1 1 7 7 ILE C C 7 175.768 175.768 176.242 -0.474 26047 4894 1 11 . 1 1 7 7 ILE CA C 7 63.285 63.285 61.881 1.404 26047 4895 1 11 . 1 1 7 7 ILE CB C 7 39.659 39.659 39.385 0.275 26047 4896 1 11 . 1 1 7 7 ILE H H 7 9.329 9.329 9.031 0.298 26047 4897 1 11 . 1 1 8 8 SER N N 8 114.774 114.774 115.375 -0.601 26047 4898 1 11 . 1 1 8 8 SER HA H 8 4.987 4.987 4.953 0.034 26047 4899 1 11 . 1 1 8 8 SER C C 8 171.895 171.895 172.197 -0.302 26047 4900 1 11 . 1 1 8 8 SER CA C 8 55.577 55.577 54.858 0.719 26047 4901 1 11 . 1 1 8 8 SER CB C 8 64.384 64.384 64.812 -0.428 26047 4902 1 11 . 1 1 8 8 SER H H 8 8.300 8.300 7.995 0.305 26047 4903 1 11 . 1 1 9 9 PRO HA H 9 4.331 4.331 4.598 -0.267 26047 4904 1 11 . 1 1 9 9 PRO C C 9 177.628 177.628 176.673 0.955 26047 4905 1 11 . 1 1 9 9 PRO CA C 9 63.646 63.646 62.453 1.193 26047 4906 1 11 . 1 1 9 9 PRO CB C 9 32.910 32.910 32.822 0.088 26047 4907 1 11 . 1 1 10 10 GLY N N 10 107.910 107.910 112.362 -4.452 26047 4908 1 11 . 1 1 10 10 GLY C C 10 174.203 174.203 174.129 0.074 26047 4909 1 11 . 1 1 10 10 GLY CA C 10 44.176 44.176 45.035 -0.859 26047 4910 1 11 . 1 1 10 10 GLY H H 10 8.464 8.464 8.115 0.349 26047 4911 1 11 . 1 1 11 11 ASP N N 11 118.911 118.911 121.403 -2.492 26047 4912 1 11 . 1 1 11 11 ASP HA H 11 4.289 4.289 4.548 -0.259 26047 4913 1 11 . 1 1 11 11 ASP C C 11 178.317 178.317 177.357 0.960 26047 4914 1 11 . 1 1 11 11 ASP CA C 11 54.629 54.629 55.291 -0.662 26047 4915 1 11 . 1 1 11 11 ASP CB C 11 39.382 39.382 42.096 -2.713 26047 4916 1 11 . 1 1 11 11 ASP H H 11 8.049 8.049 8.065 -0.016 26047 4917 1 11 . 1 1 12 12 GLY N N 12 108.262 108.262 107.397 0.865 26047 4918 1 11 . 1 1 12 12 GLY C C 12 173.279 173.279 174.399 -1.120 26047 4919 1 11 . 1 1 12 12 GLY CA C 12 46.049 46.049 45.878 0.171 26047 4920 1 11 . 1 1 12 12 GLY H H 12 8.719 8.719 8.119 0.600 26047 4921 1 11 . 1 1 13 13 ARG N N 13 117.671 117.671 116.936 0.735 26047 4922 1 11 . 1 1 13 13 ARG HA H 13 4.709 4.709 4.659 0.050 26047 4923 1 11 . 1 1 13 13 ARG C C 13 175.038 175.038 174.850 0.188 26047 4924 1 11 . 1 1 13 13 ARG CA C 13 56.794 56.794 55.730 1.064 26047 4925 1 11 . 1 1 13 13 ARG CB C 13 34.416 34.416 31.583 2.833 26047 4926 1 11 . 1 1 13 13 ARG H H 13 8.539 8.539 8.022 0.517 26047 4927 1 11 . 1 1 14 14 THR N N 14 125.323 125.323 118.178 7.145 26047 4928 1 11 . 1 1 14 14 THR HA H 14 4.205 4.205 4.618 -0.413 26047 4929 1 11 . 1 1 14 14 THR C C 14 172.353 172.353 172.841 -0.488 26047 4930 1 11 . 1 1 14 14 THR CA C 14 62.060 62.060 61.806 0.254 26047 4931 1 11 . 1 1 14 14 THR CB C 14 66.395 66.395 68.974 -2.579 26047 4932 1 11 . 1 1 14 14 THR H H 14 10.197 10.197 7.595 2.602 26047 4933 1 11 . 1 1 15 15 PHE N N 15 124.865 124.865 126.343 -1.478 26047 4934 1 11 . 1 1 15 15 PHE HA H 15 5.232 5.232 5.207 0.025 26047 4935 1 11 . 1 1 15 15 PHE C C 15 174.388 174.388 174.752 -0.364 26047 4936 1 11 . 1 1 15 15 PHE CA C 15 54.495 54.495 55.075 -0.580 26047 4937 1 11 . 1 1 15 15 PHE CB C 15 39.883 39.883 39.429 0.454 26047 4938 1 11 . 1 1 15 15 PHE H H 15 8.086 8.086 8.630 -0.544 26047 4939 1 11 . 1 1 19 19 GLY N N 19 112.901 112.901 113.109 -0.208 26047 4940 1 11 . 1 1 19 19 GLY C C 19 174.204 174.204 173.400 0.804 26047 4941 1 11 . 1 1 19 19 GLY CA C 19 44.943 44.943 45.408 -0.466 26047 4942 1 11 . 1 1 19 19 GLY H H 19 8.682 8.682 8.531 0.151 26047 4943 1 11 . 1 1 20 20 GLN N N 20 118.698 118.698 119.775 -1.077 26047 4944 1 11 . 1 1 20 20 GLN HA H 20 4.497 4.497 4.687 -0.190 26047 4945 1 11 . 1 1 20 20 GLN C C 20 174.974 174.974 174.336 0.638 26047 4946 1 11 . 1 1 20 20 GLN CA C 20 56.335 56.335 53.562 2.773 26047 4947 1 11 . 1 1 20 20 GLN CB C 20 30.891 30.891 29.785 1.106 26047 4948 1 11 . 1 1 20 20 GLN H H 20 8.103 8.103 7.964 0.139 26047 4949 1 11 . 1 1 21 21 THR N N 21 119.715 119.715 116.352 3.363 26047 4950 1 11 . 1 1 21 21 THR HA H 21 4.457 4.457 5.004 -0.547 26047 4951 1 11 . 1 1 21 21 THR C C 21 173.797 173.797 174.477 -0.680 26047 4952 1 11 . 1 1 21 21 THR CA C 21 63.067 63.067 62.199 0.868 26047 4953 1 11 . 1 1 21 21 THR CB C 21 68.825 68.825 69.477 -0.652 26047 4954 1 11 . 1 1 21 21 THR H H 21 8.729 8.729 8.380 0.349 26047 4955 1 11 . 1 1 22 22 CYS N N 22 126.008 126.008 125.241 0.767 26047 4956 1 11 . 1 1 22 22 CYS HA H 22 4.269 4.269 4.713 -0.444 26047 4957 1 11 . 1 1 22 22 CYS C C 22 172.458 172.458 173.462 -1.004 26047 4958 1 11 . 1 1 22 22 CYS CA C 22 58.011 58.011 57.422 0.589 26047 4959 1 11 . 1 1 22 22 CYS CB C 22 28.794 28.794 29.273 -0.479 26047 4960 1 11 . 1 1 22 22 CYS H H 22 8.826 8.826 8.489 0.337 26047 4961 1 11 . 1 1 23 23 VAL N N 23 123.456 123.456 128.010 -4.554 26047 4962 1 11 . 1 1 23 23 VAL HA H 23 4.595 4.595 4.318 0.277 26047 4963 1 11 . 1 1 23 23 VAL C C 23 175.899 175.899 174.912 0.987 26047 4964 1 11 . 1 1 23 23 VAL CA C 23 61.411 61.411 62.238 -0.827 26047 4965 1 11 . 1 1 23 23 VAL CB C 23 31.277 31.277 31.245 0.032 26047 4966 1 11 . 1 1 23 23 VAL H H 23 8.063 8.063 8.891 -0.828 26047 4967 1 11 . 1 1 24 24 VAL N N 24 118.126 118.126 121.419 -3.293 26047 4968 1 11 . 1 1 24 24 VAL HA H 24 5.852 5.852 5.006 0.846 26047 4969 1 11 . 1 1 24 24 VAL C C 24 175.589 175.589 174.329 1.260 26047 4970 1 11 . 1 1 24 24 VAL CA C 24 57.962 57.962 59.338 -1.376 26047 4971 1 11 . 1 1 24 24 VAL CB C 24 35.885 35.885 35.675 0.210 26047 4972 1 11 . 1 1 24 24 VAL H H 24 9.620 9.620 8.787 0.833 26047 4973 1 11 . 1 1 25 25 HIS N N 25 118.824 118.824 123.072 -4.248 26047 4974 1 11 . 1 1 25 25 HIS HA H 25 5.865 5.865 5.237 0.628 26047 4975 1 11 . 1 1 25 25 HIS C C 25 176.663 176.663 174.893 1.770 26047 4976 1 11 . 1 1 25 25 HIS CA C 25 54.463 54.463 55.349 -0.886 26047 4977 1 11 . 1 1 25 25 HIS CB C 25 35.454 35.454 31.898 3.556 26047 4978 1 11 . 1 1 25 25 HIS H H 25 8.579 8.579 8.246 0.333 26047 4979 1 11 . 1 1 26 26 TYR N N 26 118.524 118.524 122.902 -4.378 26047 4980 1 11 . 1 1 26 26 TYR HA H 26 6.441 6.441 5.632 0.809 26047 4981 1 11 . 1 1 26 26 TYR C C 26 173.864 173.864 174.821 -0.957 26047 4982 1 11 . 1 1 26 26 TYR CA C 26 55.934 55.934 55.208 0.726 26047 4983 1 11 . 1 1 26 26 TYR CB C 26 44.380 44.380 41.222 3.158 26047 4984 1 11 . 1 1 26 26 TYR H H 26 9.937 9.937 9.135 0.802 26047 4985 1 11 . 1 1 27 27 THR N N 27 117.098 117.098 115.033 2.065 26047 4986 1 11 . 1 1 27 27 THR HA H 27 4.482 4.482 4.398 0.084 26047 4987 1 11 . 1 1 27 27 THR C C 27 172.648 172.648 173.278 -0.630 26047 4988 1 11 . 1 1 27 27 THR CA C 27 63.163 63.163 61.791 1.372 26047 4989 1 11 . 1 1 27 27 THR CB C 27 72.324 72.324 70.237 2.087 26047 4990 1 11 . 1 1 27 27 THR H H 27 8.716 8.716 8.676 0.040 26047 4991 1 11 . 1 1 28 28 GLY N N 28 115.590 115.590 113.924 1.666 26047 4992 1 11 . 1 1 28 28 GLY C C 28 171.083 171.083 171.296 -0.213 26047 4993 1 11 . 1 1 28 28 GLY CA C 28 45.419 45.419 43.360 2.059 26047 4994 1 11 . 1 1 28 28 GLY H H 28 9.316 9.316 9.129 0.187 26047 4995 1 11 . 1 1 29 29 MET N N 29 125.723 125.723 124.273 1.450 26047 4996 1 11 . 1 1 29 29 MET HA H 29 5.251 5.251 4.544 0.707 26047 4997 1 11 . 1 1 29 29 MET C C 29 175.508 175.508 175.481 0.027 26047 4998 1 11 . 1 1 29 29 MET CA C 29 54.221 54.221 54.153 0.068 26047 4999 1 11 . 1 1 29 29 MET CB C 29 37.913 37.913 36.859 1.054 26047 5000 1 11 . 1 1 29 29 MET H H 29 9.192 9.192 8.768 0.424 26047 5001 1 11 . 1 1 30 30 LEU N N 30 119.150 119.150 123.342 -4.192 26047 5002 1 11 . 1 1 30 30 LEU HA H 30 4.772 4.772 4.242 0.530 26047 5003 1 11 . 1 1 30 30 LEU C C 30 179.278 179.278 178.703 0.575 26047 5004 1 11 . 1 1 30 30 LEU CA C 30 54.169 54.169 55.988 -1.819 26047 5005 1 11 . 1 1 30 30 LEU CB C 30 41.634 41.634 42.603 -0.969 26047 5006 1 11 . 1 1 30 30 LEU H H 30 8.433 8.433 8.782 -0.349 26047 5007 1 11 . 1 1 31 31 GLU N N 31 120.636 120.636 120.956 -0.320 26047 5008 1 11 . 1 1 31 31 GLU HA H 31 3.816 3.816 4.006 -0.190 26047 5009 1 11 . 1 1 31 31 GLU C C 31 176.568 176.568 177.422 -0.854 26047 5010 1 11 . 1 1 31 31 GLU CA C 31 59.788 59.788 59.239 0.549 26047 5011 1 11 . 1 1 31 31 GLU CB C 31 29.883 29.883 29.695 0.188 26047 5012 1 11 . 1 1 31 31 GLU H H 31 9.110 9.110 9.005 0.105 26047 5013 1 11 . 1 1 32 32 ASP N N 32 115.429 115.429 115.216 0.213 26047 5014 1 11 . 1 1 32 32 ASP HA H 32 4.420 4.420 4.697 -0.277 26047 5015 1 11 . 1 1 32 32 ASP C C 32 177.209 177.209 176.256 0.953 26047 5016 1 11 . 1 1 32 32 ASP CA C 32 53.556 53.556 54.423 -0.867 26047 5017 1 11 . 1 1 32 32 ASP CB C 32 40.030 40.030 41.534 -1.504 26047 5018 1 11 . 1 1 32 32 ASP H H 32 7.826 7.826 8.308 -0.482 26047 5019 1 11 . 1 1 37 37 ASP N N 37 118.871 118.871 122.086 -3.215 26047 5020 1 11 . 1 1 37 37 ASP HA H 37 4.827 4.827 4.716 0.111 26047 5021 1 11 . 1 1 37 37 ASP C C 37 174.807 174.807 173.956 0.851 26047 5022 1 11 . 1 1 37 37 ASP CA C 37 54.739 54.739 55.483 -0.745 26047 5023 1 11 . 1 1 37 37 ASP CB C 37 44.386 44.386 43.653 0.733 26047 5024 1 11 . 1 1 37 37 ASP H H 37 6.765 6.765 7.683 -0.918 26047 5025 1 11 . 1 1 38 38 SER N N 38 118.532 118.532 119.102 -0.570 26047 5026 1 11 . 1 1 38 38 SER HA H 38 4.581 4.581 4.666 -0.085 26047 5027 1 11 . 1 1 38 38 SER C C 38 174.967 174.967 175.013 -0.046 26047 5028 1 11 . 1 1 38 38 SER CA C 38 57.033 57.033 55.956 1.077 26047 5029 1 11 . 1 1 38 38 SER CB C 38 64.862 64.862 65.341 -0.479 26047 5030 1 11 . 1 1 38 38 SER H H 38 8.196 8.196 8.366 -0.170 26047 5031 1 11 . 1 1 39 39 SER N N 39 124.920 124.920 122.994 1.926 26047 5032 1 11 . 1 1 39 39 SER HA H 39 4.131 4.131 4.416 -0.285 26047 5033 1 11 . 1 1 39 39 SER C C 39 177.101 177.101 176.516 0.585 26047 5034 1 11 . 1 1 39 39 SER CA C 39 61.690 61.690 60.456 1.234 26047 5035 1 11 . 1 1 39 39 SER CB C 39 61.632 61.632 63.420 -1.788 26047 5036 1 11 . 1 1 39 39 SER H H 39 7.872 7.872 8.133 -0.261 26047 5037 1 11 . 1 1 40 40 ARG N N 40 124.309 124.309 120.574 3.735 26047 5038 1 11 . 1 1 40 40 ARG HA H 40 3.607 3.607 4.295 -0.688 26047 5039 1 11 . 1 1 40 40 ARG C C 40 179.844 179.844 178.462 1.382 26047 5040 1 11 . 1 1 40 40 ARG CA C 40 58.859 58.859 58.275 0.584 26047 5041 1 11 . 1 1 40 40 ARG CB C 40 28.763 28.763 29.138 -0.375 26047 5042 1 11 . 1 1 40 40 ARG H H 40 7.617 7.617 7.725 -0.108 26047 5043 1 11 . 1 1 41 41 ASP N N 41 118.394 118.394 120.742 -2.348 26047 5044 1 11 . 1 1 41 41 ASP HA H 41 4.314 4.314 4.446 -0.132 26047 5045 1 11 . 1 1 41 41 ASP C C 41 176.750 176.750 177.003 -0.253 26047 5046 1 11 . 1 1 41 41 ASP CA C 41 56.536 56.536 56.570 -0.034 26047 5047 1 11 . 1 1 41 41 ASP CB C 41 40.095 40.095 40.804 -0.709 26047 5048 1 11 . 1 1 41 41 ASP H H 41 7.079 7.079 7.937 -0.858 26047 5049 1 11 . 1 1 42 42 ARG N N 42 115.037 115.037 116.364 -1.327 26047 5050 1 11 . 1 1 42 42 ARG HA H 42 4.431 4.431 4.438 -0.007 26047 5051 1 11 . 1 1 42 42 ARG C C 42 175.430 175.430 175.637 -0.207 26047 5052 1 11 . 1 1 42 42 ARG CA C 42 56.099 56.099 55.658 0.441 26047 5053 1 11 . 1 1 42 42 ARG CB C 42 31.577 31.577 30.952 0.625 26047 5054 1 11 . 1 1 42 42 ARG H H 42 6.859 6.859 7.691 -0.832 26047 5055 1 11 . 1 1 49 49 MET N N 49 123.105 123.105 121.163 1.942 26047 5056 1 11 . 1 1 49 49 MET HA H 49 4.681 4.681 4.914 -0.233 26047 5057 1 11 . 1 1 49 49 MET C C 49 176.492 176.492 174.800 1.692 26047 5058 1 11 . 1 1 49 49 MET CA C 49 54.487 54.487 54.584 -0.097 26047 5059 1 11 . 1 1 49 49 MET CB C 49 33.755 33.755 34.845 -1.090 26047 5060 1 11 . 1 1 49 49 MET H H 49 9.261 9.261 8.686 0.575 26047 5061 1 11 . 1 1 50 50 LEU N N 50 131.689 131.689 126.091 5.598 26047 5062 1 11 . 1 1 50 50 LEU HA H 50 4.210 4.210 4.828 -0.618 26047 5063 1 11 . 1 1 50 50 LEU C C 50 177.825 177.825 177.566 0.259 26047 5064 1 11 . 1 1 50 50 LEU CA C 50 57.249 57.249 54.700 2.549 26047 5065 1 11 . 1 1 50 50 LEU CB C 50 41.752 41.752 42.263 -0.511 26047 5066 1 11 . 1 1 50 50 LEU H H 50 8.633 8.633 7.744 0.889 26047 5067 1 11 . 1 1 54 54 GLU N N 54 117.417 117.417 119.309 -1.892 26047 5068 1 11 . 1 1 54 54 GLU HA H 54 4.220 4.220 4.267 -0.047 26047 5069 1 11 . 1 1 54 54 GLU C C 54 176.221 176.221 176.133 0.088 26047 5070 1 11 . 1 1 54 54 GLU CA C 54 57.447 57.447 57.786 -0.339 26047 5071 1 11 . 1 1 54 54 GLU CB C 54 31.200 31.200 30.597 0.603 26047 5072 1 11 . 1 1 54 54 GLU H H 54 9.389 9.389 8.871 0.518 26047 5073 1 11 . 1 1 55 55 VAL N N 55 108.426 108.426 113.852 -5.426 26047 5074 1 11 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.168 0.146 26047 5075 1 11 . 1 1 55 55 VAL C C 55 175.226 175.226 174.951 0.275 26047 5076 1 11 . 1 1 55 55 VAL CA C 55 57.461 57.461 59.732 -2.271 26047 5077 1 11 . 1 1 55 55 VAL CB C 55 35.557 35.557 33.681 1.877 26047 5078 1 11 . 1 1 55 55 VAL H H 55 6.820 6.820 7.310 -0.490 26047 5079 1 11 . 1 1 56 56 ILE N N 56 111.618 111.618 113.700 -2.082 26047 5080 1 11 . 1 1 56 56 ILE HA H 56 3.853 3.853 4.133 -0.280 26047 5081 1 11 . 1 1 56 56 ILE C C 56 177.344 177.344 176.178 1.166 26047 5082 1 11 . 1 1 56 56 ILE CA C 56 61.975 61.975 60.245 1.730 26047 5083 1 11 . 1 1 56 56 ILE CB C 56 38.342 38.342 38.438 -0.097 26047 5084 1 11 . 1 1 56 56 ILE H H 56 7.404 7.404 7.417 -0.013 26047 5085 1 11 . 1 1 57 57 ARG N N 57 124.436 124.436 123.614 0.822 26047 5086 1 11 . 1 1 57 57 ARG HA H 57 4.063 4.063 4.029 0.034 26047 5087 1 11 . 1 1 57 57 ARG C C 57 179.428 179.428 178.549 0.879 26047 5088 1 11 . 1 1 57 57 ARG CA C 57 59.838 59.838 59.671 0.167 26047 5089 1 11 . 1 1 57 57 ARG CB C 57 30.630 30.630 30.206 0.424 26047 5090 1 11 . 1 1 57 57 ARG H H 57 8.631 8.631 8.468 0.163 26047 5091 1 11 . 1 1 58 58 GLY N N 58 107.151 107.151 104.959 2.192 26047 5092 1 11 . 1 1 58 58 GLY C C 58 175.210 175.210 175.412 -0.202 26047 5093 1 11 . 1 1 58 58 GLY CA C 58 47.621 47.621 46.576 1.045 26047 5094 1 11 . 1 1 58 58 GLY H H 58 9.688 9.688 7.988 1.700 26047 5095 1 11 . 1 1 59 59 TRP N N 59 119.956 119.956 121.661 -1.705 26047 5096 1 11 . 1 1 59 59 TRP HA H 59 4.227 4.227 4.505 -0.278 26047 5097 1 11 . 1 1 59 59 TRP C C 59 177.529 177.529 178.532 -1.003 26047 5098 1 11 . 1 1 59 59 TRP CA C 59 59.681 59.681 59.062 0.619 26047 5099 1 11 . 1 1 59 59 TRP CB C 59 29.092 29.092 29.492 -0.400 26047 5100 1 11 . 1 1 59 59 TRP H H 59 7.534 7.534 7.549 -0.015 26047 5101 1 11 . 1 1 60 60 GLU N N 60 118.374 118.374 118.814 -0.440 26047 5102 1 11 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.219 -0.329 26047 5103 1 11 . 1 1 60 60 GLU C C 60 178.377 178.377 179.287 -0.910 26047 5104 1 11 . 1 1 60 60 GLU CA C 60 61.081 61.081 59.902 1.179 26047 5105 1 11 . 1 1 60 60 GLU CB C 60 29.417 29.417 29.479 -0.062 26047 5106 1 11 . 1 1 60 60 GLU H H 60 7.275 7.275 7.968 -0.693 26047 5107 1 11 . 1 1 61 61 GLU N N 61 113.896 113.896 117.641 -3.745 26047 5108 1 11 . 1 1 61 61 GLU HA H 61 4.149 4.149 4.371 -0.222 26047 5109 1 11 . 1 1 61 61 GLU C C 61 179.320 179.320 178.292 1.028 26047 5110 1 11 . 1 1 61 61 GLU CA C 61 58.633 58.633 58.186 0.447 26047 5111 1 11 . 1 1 61 61 GLU CB C 61 29.872 29.872 29.713 0.159 26047 5112 1 11 . 1 1 61 61 GLU H H 61 8.390 8.390 8.134 0.256 26047 5113 1 11 . 1 1 62 62 GLY N N 62 106.899 106.899 108.208 -1.309 26047 5114 1 11 . 1 1 62 62 GLY C C 62 174.585 174.585 176.404 -1.819 26047 5115 1 11 . 1 1 62 62 GLY CA C 62 47.194 47.194 46.086 1.108 26047 5116 1 11 . 1 1 62 62 GLY H H 62 7.932 7.932 7.624 0.308 26047 5117 1 11 . 1 1 63 63 VAL N N 63 120.730 120.730 122.482 -1.752 26047 5118 1 11 . 1 1 63 63 VAL HA H 63 3.927 3.927 3.900 0.027 26047 5119 1 11 . 1 1 63 63 VAL C C 63 177.334 177.334 177.366 -0.032 26047 5120 1 11 . 1 1 63 63 VAL CA C 63 65.419 65.419 65.028 0.392 26047 5121 1 11 . 1 1 63 63 VAL CB C 63 31.126 31.126 31.440 -0.314 26047 5122 1 11 . 1 1 63 63 VAL H H 63 8.688 8.688 8.600 0.088 26047 5123 1 11 . 1 1 64 64 ALA N N 64 117.132 117.132 120.674 -3.542 26047 5124 1 11 . 1 1 64 64 ALA HA H 64 4.014 4.014 4.317 -0.303 26047 5125 1 11 . 1 1 64 64 ALA C C 64 177.759 177.759 178.154 -0.395 26047 5126 1 11 . 1 1 64 64 ALA CA C 64 54.526 54.526 53.803 0.723 26047 5127 1 11 . 1 1 64 64 ALA CB C 64 18.715 18.715 18.643 0.072 26047 5128 1 11 . 1 1 64 64 ALA H H 64 7.160 7.160 8.142 -0.982 26047 5129 1 11 . 1 1 65 65 GLN N N 65 112.231 112.231 116.235 -4.004 26047 5130 1 11 . 1 1 65 65 GLN HA H 65 4.359 4.359 4.360 -0.001 26047 5131 1 11 . 1 1 65 65 GLN C C 65 175.568 175.568 175.856 -0.288 26047 5132 1 11 . 1 1 65 65 GLN CA C 65 55.459 55.459 56.078 -0.619 26047 5133 1 11 . 1 1 65 65 GLN CB C 65 30.028 30.028 29.548 0.480 26047 5134 1 11 . 1 1 65 65 GLN H H 65 7.143 7.143 7.816 -0.673 26047 5135 1 11 . 1 1 66 66 MET N N 66 122.412 122.412 117.815 4.597 26047 5136 1 11 . 1 1 66 66 MET HA H 66 4.788 4.788 4.830 -0.042 26047 5137 1 11 . 1 1 66 66 MET C C 66 172.467 172.467 175.151 -2.684 26047 5138 1 11 . 1 1 66 66 MET CA C 66 55.118 55.118 54.418 0.700 26047 5139 1 11 . 1 1 66 66 MET CB C 66 35.667 35.667 34.958 0.709 26047 5140 1 11 . 1 1 66 66 MET H H 66 7.965 7.965 7.456 0.509 26047 5141 1 11 . 1 1 67 67 SER N N 67 107.611 107.611 114.146 -6.535 26047 5142 1 11 . 1 1 67 67 SER HA H 67 4.833 4.833 4.480 0.353 26047 5143 1 11 . 1 1 67 67 SER C C 67 176.275 176.275 174.345 1.930 26047 5144 1 11 . 1 1 67 67 SER CA C 67 54.465 54.465 56.032 -1.567 26047 5145 1 11 . 1 1 67 67 SER CB C 67 65.982 65.982 64.914 1.068 26047 5146 1 11 . 1 1 67 67 SER H H 67 8.182 8.182 8.136 0.046 26047 5147 1 11 . 1 1 68 68 VAL N N 68 119.266 119.266 120.952 -1.686 26047 5148 1 11 . 1 1 68 68 VAL HA H 68 3.105 3.105 3.593 -0.488 26047 5149 1 11 . 1 1 68 68 VAL C C 68 176.390 176.390 176.791 -0.401 26047 5150 1 11 . 1 1 68 68 VAL CA C 68 67.074 67.074 64.987 2.087 26047 5151 1 11 . 1 1 68 68 VAL CB C 68 31.503 31.503 30.850 0.653 26047 5152 1 11 . 1 1 68 68 VAL H H 68 7.650 7.650 8.220 -0.570 26047 5153 1 11 . 1 1 69 69 GLY N N 69 116.900 116.900 114.147 2.753 26047 5154 1 11 . 1 1 69 69 GLY C C 69 173.934 173.934 173.755 0.179 26047 5155 1 11 . 1 1 69 69 GLY CA C 69 44.407 44.407 44.990 -0.583 26047 5156 1 11 . 1 1 69 69 GLY H H 69 8.855 8.855 8.672 0.183 26047 5157 1 11 . 1 1 70 70 GLN N N 70 123.210 123.210 120.635 2.575 26047 5158 1 11 . 1 1 70 70 GLN HA H 70 4.035 4.035 4.758 -0.723 26047 5159 1 11 . 1 1 70 70 GLN C C 70 173.663 173.663 174.435 -0.772 26047 5160 1 11 . 1 1 70 70 GLN CA C 70 55.788 55.788 54.761 1.028 26047 5161 1 11 . 1 1 70 70 GLN CB C 70 30.551 30.551 31.428 -0.877 26047 5162 1 11 . 1 1 70 70 GLN H H 70 8.607 8.607 7.913 0.694 26047 5163 1 11 . 1 1 71 71 ARG N N 71 124.586 124.586 126.180 -1.594 26047 5164 1 11 . 1 1 71 71 ARG HA H 71 5.660 5.660 4.842 0.818 26047 5165 1 11 . 1 1 71 71 ARG C C 71 175.582 175.582 173.996 1.586 26047 5166 1 11 . 1 1 71 71 ARG CA C 71 53.936 53.936 54.697 -0.761 26047 5167 1 11 . 1 1 71 71 ARG CB C 71 33.739 33.739 32.519 1.220 26047 5168 1 11 . 1 1 71 71 ARG H H 71 8.802 8.802 8.673 0.129 26047 5169 1 11 . 1 1 75 75 THR N N 75 121.856 121.856 121.398 0.458 26047 5170 1 11 . 1 1 75 75 THR HA H 75 5.052 5.052 4.730 0.322 26047 5171 1 11 . 1 1 75 75 THR C C 75 175.079 175.079 173.766 1.313 26047 5172 1 11 . 1 1 75 75 THR CA C 75 63.355 63.355 62.912 0.443 26047 5173 1 11 . 1 1 75 75 THR CB C 75 68.790 68.790 69.252 -0.462 26047 5174 1 11 . 1 1 75 75 THR H H 75 8.884 8.884 8.845 0.039 26047 5175 1 11 . 1 1 76 76 ILE N N 76 129.859 129.859 128.192 1.667 26047 5176 1 11 . 1 1 76 76 ILE HA H 76 4.680 4.680 4.574 0.106 26047 5177 1 11 . 1 1 76 76 ILE C C 76 173.943 173.943 175.368 -1.425 26047 5178 1 11 . 1 1 76 76 ILE CA C 76 60.898 60.898 58.536 2.362 26047 5179 1 11 . 1 1 76 76 ILE CB C 76 41.236 41.236 39.836 1.400 26047 5180 1 11 . 1 1 76 76 ILE H H 76 9.864 9.864 8.600 1.264 26047 5181 1 11 . 1 1 77 77 SER N N 77 123.243 123.243 120.766 2.477 26047 5182 1 11 . 1 1 77 77 SER HA H 77 4.732 4.732 5.061 -0.329 26047 5183 1 11 . 1 1 77 77 SER C C 77 173.647 173.647 174.012 -0.365 26047 5184 1 11 . 1 1 77 77 SER CA C 77 57.726 57.726 55.376 2.350 26047 5185 1 11 . 1 1 77 77 SER CB C 77 62.763 62.763 63.596 -0.833 26047 5186 1 11 . 1 1 77 77 SER H H 77 8.612 8.612 8.636 -0.024 26047 5187 1 11 . 1 1 78 78 PRO HA H 78 4.488 4.488 4.376 0.112 26047 5188 1 11 . 1 1 78 78 PRO C C 78 180.133 180.133 177.259 2.874 26047 5189 1 11 . 1 1 78 78 PRO CA C 78 65.828 65.828 65.062 0.766 26047 5190 1 11 . 1 1 78 78 PRO CB C 78 30.995 30.995 32.222 -1.227 26047 5191 1 11 . 1 1 79 79 ASP N N 79 115.934 115.934 115.937 -0.003 26047 5192 1 11 . 1 1 79 79 ASP HA H 79 4.390 4.390 4.570 -0.180 26047 5193 1 11 . 1 1 79 79 ASP C C 79 176.810 176.810 177.385 -0.575 26047 5194 1 11 . 1 1 79 79 ASP CA C 79 56.159 56.159 56.528 -0.369 26047 5195 1 11 . 1 1 79 79 ASP CB C 79 39.361 39.361 41.022 -1.661 26047 5196 1 11 . 1 1 79 79 ASP H H 79 8.799 8.799 8.698 0.101 26047 5197 1 11 . 1 1 80 80 TYR N N 80 120.969 120.969 118.886 2.083 26047 5198 1 11 . 1 1 80 80 TYR HA H 80 4.377 4.377 4.530 -0.153 26047 5199 1 11 . 1 1 80 80 TYR C C 80 173.332 173.332 175.900 -2.568 26047 5200 1 11 . 1 1 80 80 TYR CA C 80 57.597 57.597 59.526 -1.929 26047 5201 1 11 . 1 1 80 80 TYR CB C 80 38.903 38.903 39.748 -0.845 26047 5202 1 11 . 1 1 80 80 TYR H H 80 8.116 8.116 7.782 0.334 26047 5203 1 11 . 1 1 81 81 ALA N N 81 125.669 125.669 123.052 2.617 26047 5204 1 11 . 1 1 81 81 ALA HA H 81 4.421 4.421 4.037 0.384 26047 5205 1 11 . 1 1 81 81 ALA C C 81 175.888 175.888 177.351 -1.463 26047 5206 1 11 . 1 1 81 81 ALA CA C 81 51.701 51.701 54.564 -2.863 26047 5207 1 11 . 1 1 81 81 ALA CB C 81 19.334 19.334 19.170 0.164 26047 5208 1 11 . 1 1 81 81 ALA H H 81 7.801 7.801 8.387 -0.586 26047 5209 1 11 . 1 1 82 82 TYR N N 82 122.080 122.080 114.969 7.111 26047 5210 1 11 . 1 1 82 82 TYR HA H 82 4.566 4.566 4.609 -0.043 26047 5211 1 11 . 1 1 82 82 TYR C C 82 176.653 176.653 176.122 0.531 26047 5212 1 11 . 1 1 82 82 TYR CA C 82 58.865 58.865 58.285 0.580 26047 5213 1 11 . 1 1 82 82 TYR CB C 82 37.995 37.995 41.961 -3.966 26047 5214 1 11 . 1 1 82 82 TYR H H 82 9.321 9.321 7.614 1.707 26047 5215 1 11 . 1 1 83 83 GLY N N 83 108.394 108.394 106.419 1.975 26047 5216 1 11 . 1 1 83 83 GLY C C 83 175.214 175.214 172.977 2.237 26047 5217 1 11 . 1 1 83 83 GLY CA C 83 46.827 46.827 45.055 1.772 26047 5218 1 11 . 1 1 83 83 GLY H H 83 8.535 8.535 7.903 0.632 26047 5219 1 11 . 1 1 84 84 ALA HA H 84 3.273 3.273 4.248 -0.975 26047 5220 1 11 . 1 1 84 84 ALA C C 84 177.536 177.536 177.730 -0.194 26047 5221 1 11 . 1 1 84 84 ALA CA C 84 53.514 53.514 53.591 -0.077 26047 5222 1 11 . 1 1 84 84 ALA CB C 84 19.318 19.318 19.096 0.222 26047 5223 1 11 . 1 1 85 85 THR N N 85 109.341 109.341 113.373 -4.032 26047 5224 1 11 . 1 1 85 85 THR HA H 85 4.038 4.038 4.238 -0.200 26047 5225 1 11 . 1 1 85 85 THR C C 85 177.149 177.149 175.456 1.693 26047 5226 1 11 . 1 1 85 85 THR CA C 85 64.040 64.040 62.529 1.511 26047 5227 1 11 . 1 1 85 85 THR CB C 85 69.466 69.466 69.572 -0.106 26047 5228 1 11 . 1 1 85 85 THR H H 85 7.927 7.927 7.991 -0.064 26047 5229 1 11 . 1 1 86 86 GLY N N 86 106.961 106.961 109.230 -2.269 26047 5230 1 11 . 1 1 86 86 GLY C C 86 171.567 171.567 173.009 -1.442 26047 5231 1 11 . 1 1 86 86 GLY CA C 86 45.151 45.151 44.600 0.551 26047 5232 1 11 . 1 1 86 86 GLY H H 86 7.341 7.341 7.721 -0.380 26047 5233 1 11 . 1 1 87 87 HIS N N 87 121.870 121.870 120.398 1.472 26047 5234 1 11 . 1 1 87 87 HIS HA H 87 4.967 4.967 4.666 0.301 26047 5235 1 11 . 1 1 87 87 HIS C C 87 172.750 172.750 173.656 -0.906 26047 5236 1 11 . 1 1 87 87 HIS CA C 87 53.029 53.029 52.642 0.387 26047 5237 1 11 . 1 1 87 87 HIS CB C 87 32.349 32.349 30.674 1.675 26047 5238 1 11 . 1 1 87 87 HIS H H 87 8.799 8.799 8.054 0.745 26047 5239 1 11 . 1 1 88 88 PRO HA H 88 4.132 4.132 4.300 -0.168 26047 5240 1 11 . 1 1 88 88 PRO C C 88 176.585 176.585 177.404 -0.819 26047 5241 1 11 . 1 1 88 88 PRO CA C 88 65.123 65.123 63.664 1.459 26047 5242 1 11 . 1 1 88 88 PRO CB C 88 31.851 31.851 31.701 0.150 26047 5243 1 11 . 1 1 89 89 GLY N N 89 113.445 113.445 113.273 0.172 26047 5244 1 11 . 1 1 89 89 GLY C C 89 174.030 174.030 174.720 -0.690 26047 5245 1 11 . 1 1 89 89 GLY CA C 89 45.251 45.251 45.140 0.111 26047 5246 1 11 . 1 1 89 89 GLY H H 89 8.571 8.571 8.701 -0.130 26047 5247 1 11 . 1 1 90 90 ILE N N 90 118.128 118.128 121.100 -2.972 26047 5248 1 11 . 1 1 90 90 ILE HA H 90 4.252 4.252 4.217 0.035 26047 5249 1 11 . 1 1 90 90 ILE C C 90 174.403 174.403 175.908 -1.505 26047 5250 1 11 . 1 1 90 90 ILE CA C 90 62.855 62.855 62.534 0.321 26047 5251 1 11 . 1 1 90 90 ILE CB C 90 41.565 41.565 39.030 2.535 26047 5252 1 11 . 1 1 90 90 ILE H H 90 8.103 8.103 7.619 0.484 26047 5253 1 11 . 1 1 91 91 ILE N N 91 119.444 119.444 120.388 -0.944 26047 5254 1 11 . 1 1 91 91 ILE HA H 91 4.506 4.506 4.336 0.170 26047 5255 1 11 . 1 1 91 91 ILE C C 91 174.345 174.345 173.833 0.512 26047 5256 1 11 . 1 1 91 91 ILE CA C 91 56.335 56.335 56.999 -0.664 26047 5257 1 11 . 1 1 91 91 ILE CB C 91 40.719 40.719 36.717 4.002 26047 5258 1 11 . 1 1 91 91 ILE H H 91 8.241 8.241 7.544 0.697 26047 5259 1 11 . 1 1 92 92 PRO HA H 92 4.717 4.717 4.692 0.025 26047 5260 1 11 . 1 1 92 92 PRO CB C 92 31.011 31.011 31.386 -0.375 26047 5261 1 11 . 1 1 93 93 PRO HA H 93 3.617 3.617 4.339 -0.722 26047 5262 1 11 . 1 1 93 93 PRO C C 93 175.714 175.714 176.665 -0.951 26047 5263 1 11 . 1 1 93 93 PRO CA C 93 63.618 63.618 63.221 0.397 26047 5264 1 11 . 1 1 93 93 PRO CB C 93 33.171 33.171 32.446 0.725 26047 5265 1 11 . 1 1 94 94 HIS N N 94 115.851 115.851 115.419 0.432 26047 5266 1 11 . 1 1 94 94 HIS HA H 94 3.804 3.804 4.234 -0.430 26047 5267 1 11 . 1 1 94 94 HIS C C 94 173.821 173.821 173.850 -0.029 26047 5268 1 11 . 1 1 94 94 HIS CA C 94 57.145 57.145 57.139 0.006 26047 5269 1 11 . 1 1 94 94 HIS CB C 94 27.977 27.977 28.068 -0.091 26047 5270 1 11 . 1 1 94 94 HIS H H 94 7.934 7.934 8.284 -0.350 26047 5271 1 11 . 1 1 95 95 ALA N N 95 122.072 122.072 120.941 1.131 26047 5272 1 11 . 1 1 95 95 ALA HA H 95 4.459 4.459 4.647 -0.188 26047 5273 1 11 . 1 1 95 95 ALA C C 95 177.246 177.246 175.541 1.705 26047 5274 1 11 . 1 1 95 95 ALA CA C 95 52.728 52.728 50.863 1.865 26047 5275 1 11 . 1 1 95 95 ALA CB C 95 20.567 20.567 21.822 -1.255 26047 5276 1 11 . 1 1 95 95 ALA H H 95 7.706 7.706 7.748 -0.042 26047 5277 1 11 . 1 1 96 96 THR N N 96 122.875 122.875 119.036 3.839 26047 5278 1 11 . 1 1 96 96 THR HA H 96 4.650 4.650 4.522 0.128 26047 5279 1 11 . 1 1 96 96 THR C C 96 173.818 173.818 173.960 -0.142 26047 5280 1 11 . 1 1 96 96 THR CA C 96 63.778 63.778 63.572 0.206 26047 5281 1 11 . 1 1 96 96 THR CB C 96 69.588 69.588 69.666 -0.078 26047 5282 1 11 . 1 1 96 96 THR H H 96 8.448 8.448 8.242 0.206 26047 5283 1 11 . 1 1 97 97 LEU N N 97 124.809 124.809 124.864 -0.055 26047 5284 1 11 . 1 1 97 97 LEU HA H 97 5.110 5.110 4.670 0.440 26047 5285 1 11 . 1 1 97 97 LEU C C 97 175.041 175.041 175.328 -0.287 26047 5286 1 11 . 1 1 97 97 LEU CA C 97 52.832 52.832 54.087 -1.255 26047 5287 1 11 . 1 1 97 97 LEU CB C 97 46.391 46.391 45.219 1.172 26047 5288 1 11 . 1 1 97 97 LEU H H 97 8.725 8.725 9.048 -0.323 26047 5289 1 11 . 1 1 98 98 VAL N N 98 121.081 121.081 119.043 2.038 26047 5290 1 11 . 1 1 98 98 VAL HA H 98 5.215 5.215 4.513 0.702 26047 5291 1 11 . 1 1 98 98 VAL C C 98 175.150 175.150 174.404 0.746 26047 5292 1 11 . 1 1 98 98 VAL CA C 98 60.662 60.662 61.591 -0.929 26047 5293 1 11 . 1 1 98 98 VAL CB C 98 34.355 34.355 33.848 0.507 26047 5294 1 11 . 1 1 98 98 VAL H H 98 8.692 8.692 8.709 -0.017 26047 5295 1 11 . 1 1 99 99 PHE N N 99 123.638 123.638 126.138 -2.500 26047 5296 1 11 . 1 1 99 99 PHE HA H 99 5.754 5.754 5.585 0.169 26047 5297 1 11 . 1 1 99 99 PHE C C 99 174.328 174.328 174.124 0.204 26047 5298 1 11 . 1 1 99 99 PHE CA C 99 55.196 55.196 56.485 -1.289 26047 5299 1 11 . 1 1 99 99 PHE CB C 99 43.396 43.396 43.716 -0.320 26047 5300 1 11 . 1 1 99 99 PHE H H 99 9.724 9.724 9.250 0.474 26047 5301 1 11 . 1 1 100 100 ASP N N 100 124.358 124.358 124.663 -0.305 26047 5302 1 11 . 1 1 100 100 ASP HA H 100 5.164 5.164 5.062 0.102 26047 5303 1 11 . 1 1 100 100 ASP C C 100 176.946 176.946 175.379 1.567 26047 5304 1 11 . 1 1 100 100 ASP CA C 100 52.778 52.778 53.160 -0.382 26047 5305 1 11 . 1 1 100 100 ASP CB C 100 42.320 42.320 43.111 -0.791 26047 5306 1 11 . 1 1 100 100 ASP H H 100 8.775 8.775 8.582 0.193 26047 5307 1 11 . 1 1 101 101 VAL N N 101 126.428 126.428 119.840 6.588 26047 5308 1 11 . 1 1 101 101 VAL HA H 101 5.057 5.057 5.463 -0.406 26047 5309 1 11 . 1 1 101 101 VAL C C 101 172.620 172.620 174.100 -1.480 26047 5310 1 11 . 1 1 101 101 VAL CA C 101 61.041 61.041 59.203 1.838 26047 5311 1 11 . 1 1 101 101 VAL CB C 101 35.481 35.481 34.362 1.119 26047 5312 1 11 . 1 1 101 101 VAL H H 101 9.513 9.513 7.717 1.796 26047 5313 1 11 . 1 1 102 102 GLU N N 102 128.393 128.393 120.566 7.827 26047 5314 1 11 . 1 1 102 102 GLU HA H 102 5.392 5.392 4.905 0.487 26047 5315 1 11 . 1 1 102 102 GLU C C 102 175.174 175.174 175.062 0.112 26047 5316 1 11 . 1 1 102 102 GLU CA C 102 53.979 53.979 53.755 0.224 26047 5317 1 11 . 1 1 102 102 GLU CB C 102 33.852 33.852 32.715 1.137 26047 5318 1 11 . 1 1 102 102 GLU H H 102 9.285 9.285 8.221 1.064 26047 5319 1 11 . 1 1 103 103 LEU N N 103 128.290 128.290 125.659 2.631 26047 5320 1 11 . 1 1 103 103 LEU HA H 103 4.671 4.671 4.327 0.344 26047 5321 1 11 . 1 1 103 103 LEU C C 103 174.266 174.266 175.841 -1.575 26047 5322 1 11 . 1 1 103 103 LEU CA C 103 54.356 54.356 54.705 -0.348 26047 5323 1 11 . 1 1 103 103 LEU CB C 103 41.465 41.465 40.533 0.932 26047 5324 1 11 . 1 1 103 103 LEU H H 103 8.613 8.613 8.767 -0.154 26047 5325 1 12 . 1 1 -2 -2 PRO HA H -2 4.485 4.485 4.652 -0.167 26047 5326 1 12 . 1 1 -2 -2 PRO C C -2 176.570 176.570 175.835 0.735 26047 5327 1 12 . 1 1 -2 -2 PRO CA C -2 63.243 63.243 62.794 0.449 26047 5328 1 12 . 1 1 -2 -2 PRO CB C -2 32.290 32.290 32.332 -0.042 26047 5329 1 12 . 1 1 -1 -1 SER N N -1 116.659 116.659 118.928 -2.269 26047 5330 1 12 . 1 1 -1 -1 SER HA H -1 4.422 4.422 4.658 -0.236 26047 5331 1 12 . 1 1 -1 -1 SER C C -1 174.384 174.384 174.789 -0.405 26047 5332 1 12 . 1 1 -1 -1 SER CA C -1 58.230 58.230 57.516 0.714 26047 5333 1 12 . 1 1 -1 -1 SER CB C -1 63.838 63.838 65.320 -1.482 26047 5334 1 12 . 1 1 -1 -1 SER H H -1 8.542 8.542 8.225 0.317 26047 5335 1 12 . 1 1 0 0 MET N N 0 122.115 122.115 119.706 2.409 26047 5336 1 12 . 1 1 0 0 MET HA H 0 4.441 4.441 4.114 0.327 26047 5337 1 12 . 1 1 0 0 MET C C 0 176.182 176.182 176.795 -0.613 26047 5338 1 12 . 1 1 0 0 MET CA C 0 55.346 55.346 57.349 -2.002 26047 5339 1 12 . 1 1 0 0 MET CB C 0 33.248 33.248 31.500 1.748 26047 5340 1 12 . 1 1 0 0 MET H H 0 8.356 8.356 9.223 -0.867 26047 5341 1 12 . 1 1 1 1 GLY N N 1 110.724 110.724 105.273 5.451 26047 5342 1 12 . 1 1 1 1 GLY C C 1 172.468 172.468 172.810 -0.342 26047 5343 1 12 . 1 1 1 1 GLY CA C 1 45.585 45.585 44.612 0.973 26047 5344 1 12 . 1 1 1 1 GLY H H 1 8.157 8.157 8.275 -0.118 26047 5345 1 12 . 1 1 2 2 VAL N N 2 117.765 117.765 121.917 -4.152 26047 5346 1 12 . 1 1 2 2 VAL HA H 2 4.889 4.889 5.134 -0.245 26047 5347 1 12 . 1 1 2 2 VAL C C 2 173.396 173.396 174.508 -1.112 26047 5348 1 12 . 1 1 2 2 VAL CA C 2 59.731 59.731 59.649 0.082 26047 5349 1 12 . 1 1 2 2 VAL CB C 2 34.600 34.600 33.342 1.258 26047 5350 1 12 . 1 1 2 2 VAL H H 2 7.471 7.471 7.529 -0.058 26047 5351 1 12 . 1 1 3 3 GLN N N 3 126.962 126.962 128.657 -1.695 26047 5352 1 12 . 1 1 3 3 GLN HA H 3 4.686 4.686 4.612 0.074 26047 5353 1 12 . 1 1 3 3 GLN C C 3 174.658 174.658 174.068 0.590 26047 5354 1 12 . 1 1 3 3 GLN CA C 3 54.379 54.379 54.694 -0.314 26047 5355 1 12 . 1 1 3 3 GLN CB C 3 31.669 31.669 31.252 0.417 26047 5356 1 12 . 1 1 3 3 GLN H H 3 8.514 8.514 8.094 0.420 26047 5357 1 12 . 1 1 4 4 VAL N N 4 125.396 125.396 123.599 1.797 26047 5358 1 12 . 1 1 4 4 VAL HA H 4 4.520 4.520 4.355 0.165 26047 5359 1 12 . 1 1 4 4 VAL C C 4 175.411 175.411 174.697 0.714 26047 5360 1 12 . 1 1 4 4 VAL CA C 4 61.993 61.993 60.884 1.109 26047 5361 1 12 . 1 1 4 4 VAL CB C 4 33.355 33.355 33.978 -0.623 26047 5362 1 12 . 1 1 4 4 VAL H H 4 8.823 8.823 8.590 0.233 26047 5363 1 12 . 1 1 5 5 GLU N N 5 128.706 128.706 127.944 0.762 26047 5364 1 12 . 1 1 5 5 GLU HA H 5 4.782 4.782 4.656 0.126 26047 5365 1 12 . 1 1 5 5 GLU C C 5 175.830 175.830 175.429 0.401 26047 5366 1 12 . 1 1 5 5 GLU CA C 5 54.451 54.451 54.495 -0.043 26047 5367 1 12 . 1 1 5 5 GLU CB C 5 32.818 32.818 31.619 1.199 26047 5368 1 12 . 1 1 5 5 GLU H H 5 9.024 9.024 8.558 0.466 26047 5369 1 12 . 1 1 6 6 THR N N 6 124.408 124.408 120.166 4.242 26047 5370 1 12 . 1 1 6 6 THR HA H 6 3.898 3.898 4.211 -0.313 26047 5371 1 12 . 1 1 6 6 THR C C 6 173.675 173.675 174.166 -0.491 26047 5372 1 12 . 1 1 6 6 THR CA C 6 66.715 66.715 63.472 3.243 26047 5373 1 12 . 1 1 6 6 THR CB C 6 68.934 68.934 69.316 -0.382 26047 5374 1 12 . 1 1 6 6 THR H H 6 9.173 9.173 8.639 0.534 26047 5375 1 12 . 1 1 7 7 ILE N N 7 129.476 129.476 127.196 2.280 26047 5376 1 12 . 1 1 7 7 ILE HA H 7 4.071 4.071 4.315 -0.244 26047 5377 1 12 . 1 1 7 7 ILE C C 7 175.768 175.768 176.291 -0.523 26047 5378 1 12 . 1 1 7 7 ILE CA C 7 63.285 63.285 61.865 1.420 26047 5379 1 12 . 1 1 7 7 ILE CB C 7 39.659 39.659 39.474 0.185 26047 5380 1 12 . 1 1 7 7 ILE H H 7 9.329 9.329 9.082 0.247 26047 5381 1 12 . 1 1 8 8 SER N N 8 114.774 114.774 115.725 -0.951 26047 5382 1 12 . 1 1 8 8 SER HA H 8 4.987 4.987 4.960 0.027 26047 5383 1 12 . 1 1 8 8 SER C C 8 171.895 171.895 172.142 -0.247 26047 5384 1 12 . 1 1 8 8 SER CA C 8 55.577 55.577 54.969 0.608 26047 5385 1 12 . 1 1 8 8 SER CB C 8 64.384 64.384 64.749 -0.365 26047 5386 1 12 . 1 1 8 8 SER H H 8 8.300 8.300 8.061 0.239 26047 5387 1 12 . 1 1 9 9 PRO HA H 9 4.331 4.331 4.607 -0.276 26047 5388 1 12 . 1 1 9 9 PRO C C 9 177.628 177.628 176.607 1.021 26047 5389 1 12 . 1 1 9 9 PRO CA C 9 63.646 63.646 62.530 1.116 26047 5390 1 12 . 1 1 9 9 PRO CB C 9 32.910 32.910 32.378 0.532 26047 5391 1 12 . 1 1 10 10 GLY N N 10 107.910 107.910 112.307 -4.397 26047 5392 1 12 . 1 1 10 10 GLY C C 10 174.203 174.203 174.102 0.101 26047 5393 1 12 . 1 1 10 10 GLY CA C 10 44.176 44.176 45.048 -0.872 26047 5394 1 12 . 1 1 10 10 GLY H H 10 8.464 8.464 8.128 0.336 26047 5395 1 12 . 1 1 11 11 ASP N N 11 118.911 118.911 120.948 -2.037 26047 5396 1 12 . 1 1 11 11 ASP HA H 11 4.289 4.289 4.637 -0.348 26047 5397 1 12 . 1 1 11 11 ASP C C 11 178.317 178.317 177.369 0.948 26047 5398 1 12 . 1 1 11 11 ASP CA C 11 54.629 54.629 55.837 -1.208 26047 5399 1 12 . 1 1 11 11 ASP CB C 11 39.382 39.382 42.195 -2.813 26047 5400 1 12 . 1 1 11 11 ASP H H 11 8.049 8.049 8.090 -0.041 26047 5401 1 12 . 1 1 12 12 GLY N N 12 108.262 108.262 106.761 1.501 26047 5402 1 12 . 1 1 12 12 GLY C C 12 173.279 173.279 174.208 -0.929 26047 5403 1 12 . 1 1 12 12 GLY CA C 12 46.049 46.049 46.386 -0.337 26047 5404 1 12 . 1 1 12 12 GLY H H 12 8.719 8.719 8.161 0.558 26047 5405 1 12 . 1 1 13 13 ARG N N 13 117.671 117.671 116.707 0.964 26047 5406 1 12 . 1 1 13 13 ARG HA H 13 4.709 4.709 4.645 0.064 26047 5407 1 12 . 1 1 13 13 ARG C C 13 175.038 175.038 175.046 -0.008 26047 5408 1 12 . 1 1 13 13 ARG CA C 13 56.794 56.794 55.666 1.128 26047 5409 1 12 . 1 1 13 13 ARG CB C 13 34.416 34.416 31.485 2.931 26047 5410 1 12 . 1 1 13 13 ARG H H 13 8.539 8.539 8.030 0.509 26047 5411 1 12 . 1 1 14 14 THR N N 14 125.323 125.323 118.445 6.878 26047 5412 1 12 . 1 1 14 14 THR HA H 14 4.205 4.205 4.583 -0.378 26047 5413 1 12 . 1 1 14 14 THR C C 14 172.353 172.353 172.923 -0.570 26047 5414 1 12 . 1 1 14 14 THR CA C 14 62.060 62.060 61.029 1.031 26047 5415 1 12 . 1 1 14 14 THR CB C 14 66.395 66.395 69.344 -2.949 26047 5416 1 12 . 1 1 14 14 THR H H 14 10.197 10.197 7.579 2.618 26047 5417 1 12 . 1 1 15 15 PHE N N 15 124.865 124.865 126.150 -1.285 26047 5418 1 12 . 1 1 15 15 PHE HA H 15 5.232 5.232 5.071 0.161 26047 5419 1 12 . 1 1 15 15 PHE C C 15 174.388 174.388 174.763 -0.375 26047 5420 1 12 . 1 1 15 15 PHE CA C 15 54.495 54.495 54.939 -0.444 26047 5421 1 12 . 1 1 15 15 PHE CB C 15 39.883 39.883 39.183 0.700 26047 5422 1 12 . 1 1 15 15 PHE H H 15 8.086 8.086 8.734 -0.648 26047 5423 1 12 . 1 1 19 19 GLY N N 19 112.901 112.901 112.557 0.344 26047 5424 1 12 . 1 1 19 19 GLY C C 19 174.204 174.204 173.321 0.883 26047 5425 1 12 . 1 1 19 19 GLY CA C 19 44.943 44.943 44.906 0.037 26047 5426 1 12 . 1 1 19 19 GLY H H 19 8.682 8.682 8.385 0.297 26047 5427 1 12 . 1 1 20 20 GLN N N 20 118.698 118.698 120.158 -1.460 26047 5428 1 12 . 1 1 20 20 GLN HA H 20 4.497 4.497 4.577 -0.080 26047 5429 1 12 . 1 1 20 20 GLN C C 20 174.974 174.974 174.835 0.139 26047 5430 1 12 . 1 1 20 20 GLN CA C 20 56.335 56.335 54.442 1.893 26047 5431 1 12 . 1 1 20 20 GLN CB C 20 30.891 30.891 29.902 0.989 26047 5432 1 12 . 1 1 20 20 GLN H H 20 8.103 8.103 8.121 -0.018 26047 5433 1 12 . 1 1 21 21 THR N N 21 119.715 119.715 115.729 3.986 26047 5434 1 12 . 1 1 21 21 THR HA H 21 4.457 4.457 4.676 -0.219 26047 5435 1 12 . 1 1 21 21 THR C C 21 173.797 173.797 174.250 -0.453 26047 5436 1 12 . 1 1 21 21 THR CA C 21 63.067 63.067 61.954 1.113 26047 5437 1 12 . 1 1 21 21 THR CB C 21 68.825 68.825 69.488 -0.663 26047 5438 1 12 . 1 1 21 21 THR H H 21 8.729 8.729 8.435 0.294 26047 5439 1 12 . 1 1 22 22 CYS N N 22 126.008 126.008 124.239 1.769 26047 5440 1 12 . 1 1 22 22 CYS HA H 22 4.269 4.269 4.668 -0.399 26047 5441 1 12 . 1 1 22 22 CYS C C 22 172.458 172.458 173.437 -0.979 26047 5442 1 12 . 1 1 22 22 CYS CA C 22 58.011 58.011 57.034 0.977 26047 5443 1 12 . 1 1 22 22 CYS CB C 22 28.794 28.794 28.671 0.123 26047 5444 1 12 . 1 1 22 22 CYS H H 22 8.826 8.826 8.408 0.418 26047 5445 1 12 . 1 1 23 23 VAL N N 23 123.456 123.456 130.658 -7.202 26047 5446 1 12 . 1 1 23 23 VAL HA H 23 4.595 4.595 4.350 0.245 26047 5447 1 12 . 1 1 23 23 VAL C C 23 175.899 175.899 174.698 1.201 26047 5448 1 12 . 1 1 23 23 VAL CA C 23 61.411 61.411 62.620 -1.209 26047 5449 1 12 . 1 1 23 23 VAL CB C 23 31.277 31.277 31.476 -0.199 26047 5450 1 12 . 1 1 23 23 VAL H H 23 8.063 8.063 8.767 -0.704 26047 5451 1 12 . 1 1 24 24 VAL N N 24 118.126 118.126 121.229 -3.103 26047 5452 1 12 . 1 1 24 24 VAL HA H 24 5.852 5.852 4.996 0.856 26047 5453 1 12 . 1 1 24 24 VAL C C 24 175.589 175.589 174.247 1.342 26047 5454 1 12 . 1 1 24 24 VAL CA C 24 57.962 57.962 59.306 -1.344 26047 5455 1 12 . 1 1 24 24 VAL CB C 24 35.885 35.885 35.627 0.258 26047 5456 1 12 . 1 1 24 24 VAL H H 24 9.620 9.620 8.815 0.805 26047 5457 1 12 . 1 1 25 25 HIS N N 25 118.824 118.824 123.200 -4.376 26047 5458 1 12 . 1 1 25 25 HIS HA H 25 5.865 5.865 5.076 0.789 26047 5459 1 12 . 1 1 25 25 HIS C C 25 176.663 176.663 174.766 1.897 26047 5460 1 12 . 1 1 25 25 HIS CA C 25 54.463 54.463 55.536 -1.073 26047 5461 1 12 . 1 1 25 25 HIS CB C 25 35.454 35.454 31.672 3.782 26047 5462 1 12 . 1 1 25 25 HIS H H 25 8.579 8.579 8.288 0.291 26047 5463 1 12 . 1 1 26 26 TYR N N 26 118.524 118.524 123.360 -4.836 26047 5464 1 12 . 1 1 26 26 TYR HA H 26 6.441 6.441 5.647 0.794 26047 5465 1 12 . 1 1 26 26 TYR C C 26 173.864 173.864 174.679 -0.815 26047 5466 1 12 . 1 1 26 26 TYR CA C 26 55.934 55.934 55.146 0.788 26047 5467 1 12 . 1 1 26 26 TYR CB C 26 44.380 44.380 40.922 3.458 26047 5468 1 12 . 1 1 26 26 TYR H H 26 9.937 9.937 9.090 0.847 26047 5469 1 12 . 1 1 27 27 THR N N 27 117.098 117.098 115.329 1.769 26047 5470 1 12 . 1 1 27 27 THR HA H 27 4.482 4.482 4.678 -0.196 26047 5471 1 12 . 1 1 27 27 THR C C 27 172.648 172.648 173.668 -1.020 26047 5472 1 12 . 1 1 27 27 THR CA C 27 63.163 63.163 61.793 1.370 26047 5473 1 12 . 1 1 27 27 THR CB C 27 72.324 72.324 70.371 1.953 26047 5474 1 12 . 1 1 27 27 THR H H 27 8.716 8.716 8.715 0.001 26047 5475 1 12 . 1 1 28 28 GLY N N 28 115.590 115.590 113.720 1.870 26047 5476 1 12 . 1 1 28 28 GLY C C 28 171.083 171.083 171.425 -0.342 26047 5477 1 12 . 1 1 28 28 GLY CA C 28 45.419 45.419 43.195 2.224 26047 5478 1 12 . 1 1 28 28 GLY H H 28 9.316 9.316 9.208 0.108 26047 5479 1 12 . 1 1 29 29 MET N N 29 125.723 125.723 124.492 1.231 26047 5480 1 12 . 1 1 29 29 MET HA H 29 5.251 5.251 4.597 0.654 26047 5481 1 12 . 1 1 29 29 MET C C 29 175.508 175.508 175.578 -0.070 26047 5482 1 12 . 1 1 29 29 MET CA C 29 54.221 54.221 54.161 0.060 26047 5483 1 12 . 1 1 29 29 MET CB C 29 37.913 37.913 36.638 1.276 26047 5484 1 12 . 1 1 29 29 MET H H 29 9.192 9.192 8.788 0.404 26047 5485 1 12 . 1 1 30 30 LEU N N 30 119.150 119.150 123.737 -4.587 26047 5486 1 12 . 1 1 30 30 LEU HA H 30 4.772 4.772 4.245 0.527 26047 5487 1 12 . 1 1 30 30 LEU C C 30 179.278 179.278 178.703 0.575 26047 5488 1 12 . 1 1 30 30 LEU CA C 30 54.169 54.169 55.955 -1.786 26047 5489 1 12 . 1 1 30 30 LEU CB C 30 41.634 41.634 42.615 -0.981 26047 5490 1 12 . 1 1 30 30 LEU H H 30 8.433 8.433 8.824 -0.391 26047 5491 1 12 . 1 1 31 31 GLU N N 31 120.636 120.636 120.860 -0.224 26047 5492 1 12 . 1 1 31 31 GLU HA H 31 3.816 3.816 3.992 -0.176 26047 5493 1 12 . 1 1 31 31 GLU C C 31 176.568 176.568 177.500 -0.932 26047 5494 1 12 . 1 1 31 31 GLU CA C 31 59.788 59.788 59.288 0.500 26047 5495 1 12 . 1 1 31 31 GLU CB C 31 29.883 29.883 29.714 0.169 26047 5496 1 12 . 1 1 31 31 GLU H H 31 9.110 9.110 9.062 0.048 26047 5497 1 12 . 1 1 32 32 ASP N N 32 115.429 115.429 115.227 0.202 26047 5498 1 12 . 1 1 32 32 ASP HA H 32 4.420 4.420 4.707 -0.287 26047 5499 1 12 . 1 1 32 32 ASP C C 32 177.209 177.209 175.974 1.235 26047 5500 1 12 . 1 1 32 32 ASP CA C 32 53.556 53.556 54.084 -0.528 26047 5501 1 12 . 1 1 32 32 ASP CB C 32 40.030 40.030 41.516 -1.486 26047 5502 1 12 . 1 1 32 32 ASP H H 32 7.826 7.826 8.181 -0.355 26047 5503 1 12 . 1 1 37 37 ASP N N 37 118.871 118.871 122.053 -3.182 26047 5504 1 12 . 1 1 37 37 ASP HA H 37 4.827 4.827 5.000 -0.173 26047 5505 1 12 . 1 1 37 37 ASP C C 37 174.807 174.807 173.949 0.858 26047 5506 1 12 . 1 1 37 37 ASP CA C 37 54.739 54.739 54.815 -0.076 26047 5507 1 12 . 1 1 37 37 ASP CB C 37 44.386 44.386 45.682 -1.296 26047 5508 1 12 . 1 1 37 37 ASP H H 37 6.765 6.765 7.712 -0.947 26047 5509 1 12 . 1 1 38 38 SER N N 38 118.532 118.532 118.820 -0.288 26047 5510 1 12 . 1 1 38 38 SER HA H 38 4.581 4.581 4.868 -0.287 26047 5511 1 12 . 1 1 38 38 SER C C 38 174.967 174.967 175.214 -0.247 26047 5512 1 12 . 1 1 38 38 SER CA C 38 57.033 57.033 57.006 0.027 26047 5513 1 12 . 1 1 38 38 SER CB C 38 64.862 64.862 64.942 -0.080 26047 5514 1 12 . 1 1 38 38 SER H H 38 8.196 8.196 8.412 -0.216 26047 5515 1 12 . 1 1 39 39 SER N N 39 124.920 124.920 121.372 3.548 26047 5516 1 12 . 1 1 39 39 SER HA H 39 4.131 4.131 4.407 -0.276 26047 5517 1 12 . 1 1 39 39 SER C C 39 177.101 177.101 176.522 0.579 26047 5518 1 12 . 1 1 39 39 SER CA C 39 61.690 61.690 60.676 1.014 26047 5519 1 12 . 1 1 39 39 SER CB C 39 61.632 61.632 63.373 -1.741 26047 5520 1 12 . 1 1 39 39 SER H H 39 7.872 7.872 7.926 -0.054 26047 5521 1 12 . 1 1 40 40 ARG N N 40 124.309 124.309 120.894 3.415 26047 5522 1 12 . 1 1 40 40 ARG HA H 40 3.607 3.607 4.316 -0.709 26047 5523 1 12 . 1 1 40 40 ARG C C 40 179.844 179.844 178.257 1.587 26047 5524 1 12 . 1 1 40 40 ARG CA C 40 58.859 58.859 58.598 0.261 26047 5525 1 12 . 1 1 40 40 ARG CB C 40 28.763 28.763 29.629 -0.866 26047 5526 1 12 . 1 1 40 40 ARG H H 40 7.617 7.617 7.898 -0.281 26047 5527 1 12 . 1 1 41 41 ASP N N 41 118.394 118.394 120.493 -2.099 26047 5528 1 12 . 1 1 41 41 ASP HA H 41 4.314 4.314 4.462 -0.148 26047 5529 1 12 . 1 1 41 41 ASP C C 41 176.750 176.750 177.162 -0.412 26047 5530 1 12 . 1 1 41 41 ASP CA C 41 56.536 56.536 56.967 -0.431 26047 5531 1 12 . 1 1 41 41 ASP CB C 41 40.095 40.095 40.361 -0.266 26047 5532 1 12 . 1 1 41 41 ASP H H 41 7.079 7.079 8.543 -1.464 26047 5533 1 12 . 1 1 42 42 ARG N N 42 115.037 115.037 117.220 -2.183 26047 5534 1 12 . 1 1 42 42 ARG HA H 42 4.431 4.431 4.429 0.002 26047 5535 1 12 . 1 1 42 42 ARG C C 42 175.430 175.430 175.690 -0.260 26047 5536 1 12 . 1 1 42 42 ARG CA C 42 56.099 56.099 55.818 0.281 26047 5537 1 12 . 1 1 42 42 ARG CB C 42 31.577 31.577 30.575 1.002 26047 5538 1 12 . 1 1 42 42 ARG H H 42 6.859 6.859 7.837 -0.978 26047 5539 1 12 . 1 1 49 49 MET N N 49 123.105 123.105 120.178 2.927 26047 5540 1 12 . 1 1 49 49 MET HA H 49 4.681 4.681 5.037 -0.356 26047 5541 1 12 . 1 1 49 49 MET C C 49 176.492 176.492 175.337 1.155 26047 5542 1 12 . 1 1 49 49 MET CA C 49 54.487 54.487 54.273 0.214 26047 5543 1 12 . 1 1 49 49 MET CB C 49 33.755 33.755 34.566 -0.811 26047 5544 1 12 . 1 1 49 49 MET H H 49 9.261 9.261 8.662 0.599 26047 5545 1 12 . 1 1 50 50 LEU N N 50 131.689 131.689 124.099 7.590 26047 5546 1 12 . 1 1 50 50 LEU HA H 50 4.210 4.210 4.705 -0.495 26047 5547 1 12 . 1 1 50 50 LEU C C 50 177.825 177.825 178.127 -0.302 26047 5548 1 12 . 1 1 50 50 LEU CA C 50 57.249 57.249 54.297 2.952 26047 5549 1 12 . 1 1 50 50 LEU CB C 50 41.752 41.752 41.702 0.050 26047 5550 1 12 . 1 1 50 50 LEU H H 50 8.633 8.633 7.827 0.806 26047 5551 1 12 . 1 1 54 54 GLU N N 54 117.417 117.417 119.766 -2.349 26047 5552 1 12 . 1 1 54 54 GLU HA H 54 4.220 4.220 4.269 -0.049 26047 5553 1 12 . 1 1 54 54 GLU C C 54 176.221 176.221 175.961 0.260 26047 5554 1 12 . 1 1 54 54 GLU CA C 54 57.447 57.447 57.766 -0.319 26047 5555 1 12 . 1 1 54 54 GLU CB C 54 31.200 31.200 30.405 0.795 26047 5556 1 12 . 1 1 54 54 GLU H H 54 9.389 9.389 8.817 0.572 26047 5557 1 12 . 1 1 55 55 VAL N N 55 108.426 108.426 113.644 -5.218 26047 5558 1 12 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.250 0.064 26047 5559 1 12 . 1 1 55 55 VAL C C 55 175.226 175.226 174.809 0.417 26047 5560 1 12 . 1 1 55 55 VAL CA C 55 57.461 57.461 59.630 -2.169 26047 5561 1 12 . 1 1 55 55 VAL CB C 55 35.557 35.557 34.142 1.415 26047 5562 1 12 . 1 1 55 55 VAL H H 55 6.820 6.820 7.328 -0.508 26047 5563 1 12 . 1 1 56 56 ILE N N 56 111.618 111.618 113.956 -2.338 26047 5564 1 12 . 1 1 56 56 ILE HA H 56 3.853 3.853 4.055 -0.202 26047 5565 1 12 . 1 1 56 56 ILE C C 56 177.344 177.344 176.335 1.009 26047 5566 1 12 . 1 1 56 56 ILE CA C 56 61.975 61.975 60.527 1.448 26047 5567 1 12 . 1 1 56 56 ILE CB C 56 38.342 38.342 38.253 0.089 26047 5568 1 12 . 1 1 56 56 ILE H H 56 7.404 7.404 7.478 -0.074 26047 5569 1 12 . 1 1 57 57 ARG N N 57 124.436 124.436 123.740 0.696 26047 5570 1 12 . 1 1 57 57 ARG HA H 57 4.063 4.063 4.018 0.045 26047 5571 1 12 . 1 1 57 57 ARG C C 57 179.428 179.428 178.543 0.885 26047 5572 1 12 . 1 1 57 57 ARG CA C 57 59.838 59.838 59.659 0.179 26047 5573 1 12 . 1 1 57 57 ARG CB C 57 30.630 30.630 30.199 0.431 26047 5574 1 12 . 1 1 57 57 ARG H H 57 8.631 8.631 8.404 0.227 26047 5575 1 12 . 1 1 58 58 GLY N N 58 107.151 107.151 105.092 2.059 26047 5576 1 12 . 1 1 58 58 GLY C C 58 175.210 175.210 175.453 -0.243 26047 5577 1 12 . 1 1 58 58 GLY CA C 58 47.621 47.621 46.657 0.964 26047 5578 1 12 . 1 1 58 58 GLY H H 58 9.688 9.688 7.987 1.701 26047 5579 1 12 . 1 1 59 59 TRP N N 59 119.956 119.956 121.432 -1.476 26047 5580 1 12 . 1 1 59 59 TRP HA H 59 4.227 4.227 4.527 -0.300 26047 5581 1 12 . 1 1 59 59 TRP C C 59 177.529 177.529 178.620 -1.091 26047 5582 1 12 . 1 1 59 59 TRP CA C 59 59.681 59.681 58.506 1.175 26047 5583 1 12 . 1 1 59 59 TRP CB C 59 29.092 29.092 29.367 -0.275 26047 5584 1 12 . 1 1 59 59 TRP H H 59 7.534 7.534 7.491 0.043 26047 5585 1 12 . 1 1 60 60 GLU N N 60 118.374 118.374 119.026 -0.652 26047 5586 1 12 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.213 -0.324 26047 5587 1 12 . 1 1 60 60 GLU C C 60 178.377 178.377 179.326 -0.949 26047 5588 1 12 . 1 1 60 60 GLU CA C 60 61.081 61.081 59.971 1.111 26047 5589 1 12 . 1 1 60 60 GLU CB C 60 29.417 29.417 29.483 -0.066 26047 5590 1 12 . 1 1 60 60 GLU H H 60 7.275 7.275 7.968 -0.693 26047 5591 1 12 . 1 1 61 61 GLU N N 61 113.896 113.896 117.294 -3.398 26047 5592 1 12 . 1 1 61 61 GLU HA H 61 4.149 4.149 4.369 -0.220 26047 5593 1 12 . 1 1 61 61 GLU C C 61 179.320 179.320 178.234 1.086 26047 5594 1 12 . 1 1 61 61 GLU CA C 61 58.633 58.633 58.149 0.484 26047 5595 1 12 . 1 1 61 61 GLU CB C 61 29.872 29.872 29.742 0.130 26047 5596 1 12 . 1 1 61 61 GLU H H 61 8.390 8.390 8.178 0.212 26047 5597 1 12 . 1 1 62 62 GLY N N 62 106.899 106.899 108.205 -1.306 26047 5598 1 12 . 1 1 62 62 GLY C C 62 174.585 174.585 176.410 -1.825 26047 5599 1 12 . 1 1 62 62 GLY CA C 62 47.194 47.194 46.176 1.018 26047 5600 1 12 . 1 1 62 62 GLY H H 62 7.932 7.932 7.766 0.166 26047 5601 1 12 . 1 1 63 63 VAL N N 63 120.730 120.730 122.511 -1.781 26047 5602 1 12 . 1 1 63 63 VAL HA H 63 3.927 3.927 3.871 0.056 26047 5603 1 12 . 1 1 63 63 VAL C C 63 177.334 177.334 177.394 -0.060 26047 5604 1 12 . 1 1 63 63 VAL CA C 63 65.419 65.419 65.360 0.059 26047 5605 1 12 . 1 1 63 63 VAL CB C 63 31.126 31.126 31.615 -0.489 26047 5606 1 12 . 1 1 63 63 VAL H H 63 8.688 8.688 8.651 0.037 26047 5607 1 12 . 1 1 64 64 ALA N N 64 117.132 117.132 120.316 -3.184 26047 5608 1 12 . 1 1 64 64 ALA HA H 64 4.014 4.014 4.308 -0.294 26047 5609 1 12 . 1 1 64 64 ALA C C 64 177.759 177.759 178.131 -0.372 26047 5610 1 12 . 1 1 64 64 ALA CA C 64 54.526 54.526 53.775 0.751 26047 5611 1 12 . 1 1 64 64 ALA CB C 64 18.715 18.715 18.624 0.091 26047 5612 1 12 . 1 1 64 64 ALA H H 64 7.160 7.160 8.171 -1.011 26047 5613 1 12 . 1 1 65 65 GLN N N 65 112.231 112.231 116.197 -3.966 26047 5614 1 12 . 1 1 65 65 GLN HA H 65 4.359 4.359 4.378 -0.019 26047 5615 1 12 . 1 1 65 65 GLN C C 65 175.568 175.568 175.877 -0.309 26047 5616 1 12 . 1 1 65 65 GLN CA C 65 55.459 55.459 56.004 -0.545 26047 5617 1 12 . 1 1 65 65 GLN CB C 65 30.028 30.028 29.604 0.424 26047 5618 1 12 . 1 1 65 65 GLN H H 65 7.143 7.143 7.855 -0.712 26047 5619 1 12 . 1 1 66 66 MET N N 66 122.412 122.412 118.642 3.770 26047 5620 1 12 . 1 1 66 66 MET HA H 66 4.788 4.788 4.799 -0.011 26047 5621 1 12 . 1 1 66 66 MET C C 66 172.467 172.467 175.029 -2.562 26047 5622 1 12 . 1 1 66 66 MET CA C 66 55.118 55.118 54.344 0.774 26047 5623 1 12 . 1 1 66 66 MET CB C 66 35.667 35.667 34.852 0.814 26047 5624 1 12 . 1 1 66 66 MET H H 66 7.965 7.965 7.509 0.456 26047 5625 1 12 . 1 1 67 67 SER N N 67 107.611 107.611 114.195 -6.584 26047 5626 1 12 . 1 1 67 67 SER HA H 67 4.833 4.833 4.412 0.421 26047 5627 1 12 . 1 1 67 67 SER C C 67 176.275 176.275 174.500 1.775 26047 5628 1 12 . 1 1 67 67 SER CA C 67 54.465 54.465 55.743 -1.278 26047 5629 1 12 . 1 1 67 67 SER CB C 67 65.982 65.982 64.916 1.066 26047 5630 1 12 . 1 1 67 67 SER H H 67 8.182 8.182 8.203 -0.021 26047 5631 1 12 . 1 1 68 68 VAL N N 68 119.266 119.266 120.847 -1.581 26047 5632 1 12 . 1 1 68 68 VAL HA H 68 3.105 3.105 3.582 -0.477 26047 5633 1 12 . 1 1 68 68 VAL C C 68 176.390 176.390 176.733 -0.343 26047 5634 1 12 . 1 1 68 68 VAL CA C 68 67.074 67.074 64.958 2.116 26047 5635 1 12 . 1 1 68 68 VAL CB C 68 31.503 31.503 30.064 1.439 26047 5636 1 12 . 1 1 68 68 VAL H H 68 7.650 7.650 8.223 -0.573 26047 5637 1 12 . 1 1 69 69 GLY N N 69 116.900 116.900 114.753 2.147 26047 5638 1 12 . 1 1 69 69 GLY C C 69 173.934 173.934 173.801 0.133 26047 5639 1 12 . 1 1 69 69 GLY CA C 69 44.407 44.407 44.993 -0.586 26047 5640 1 12 . 1 1 69 69 GLY H H 69 8.855 8.855 8.792 0.063 26047 5641 1 12 . 1 1 70 70 GLN N N 70 123.210 123.210 120.728 2.482 26047 5642 1 12 . 1 1 70 70 GLN HA H 70 4.035 4.035 4.757 -0.722 26047 5643 1 12 . 1 1 70 70 GLN C C 70 173.663 173.663 174.442 -0.779 26047 5644 1 12 . 1 1 70 70 GLN CA C 70 55.788 55.788 54.828 0.960 26047 5645 1 12 . 1 1 70 70 GLN CB C 70 30.551 30.551 31.366 -0.815 26047 5646 1 12 . 1 1 70 70 GLN H H 70 8.607 8.607 7.935 0.672 26047 5647 1 12 . 1 1 71 71 ARG N N 71 124.586 124.586 126.115 -1.529 26047 5648 1 12 . 1 1 71 71 ARG HA H 71 5.660 5.660 4.863 0.797 26047 5649 1 12 . 1 1 71 71 ARG C C 71 175.582 175.582 173.984 1.598 26047 5650 1 12 . 1 1 71 71 ARG CA C 71 53.936 53.936 54.691 -0.755 26047 5651 1 12 . 1 1 71 71 ARG CB C 71 33.739 33.739 32.599 1.140 26047 5652 1 12 . 1 1 71 71 ARG H H 71 8.802 8.802 8.696 0.106 26047 5653 1 12 . 1 1 75 75 THR N N 75 121.856 121.856 120.598 1.258 26047 5654 1 12 . 1 1 75 75 THR HA H 75 5.052 5.052 4.750 0.302 26047 5655 1 12 . 1 1 75 75 THR C C 75 175.079 175.079 173.634 1.445 26047 5656 1 12 . 1 1 75 75 THR CA C 75 63.355 63.355 62.685 0.670 26047 5657 1 12 . 1 1 75 75 THR CB C 75 68.790 68.790 69.341 -0.551 26047 5658 1 12 . 1 1 75 75 THR H H 75 8.884 8.884 8.655 0.229 26047 5659 1 12 . 1 1 76 76 ILE N N 76 129.859 129.859 128.008 1.851 26047 5660 1 12 . 1 1 76 76 ILE HA H 76 4.680 4.680 4.566 0.114 26047 5661 1 12 . 1 1 76 76 ILE C C 76 173.943 173.943 175.261 -1.318 26047 5662 1 12 . 1 1 76 76 ILE CA C 76 60.898 60.898 58.675 2.223 26047 5663 1 12 . 1 1 76 76 ILE CB C 76 41.236 41.236 39.442 1.794 26047 5664 1 12 . 1 1 76 76 ILE H H 76 9.864 9.864 8.685 1.179 26047 5665 1 12 . 1 1 77 77 SER N N 77 123.243 123.243 121.540 1.703 26047 5666 1 12 . 1 1 77 77 SER HA H 77 4.732 4.732 5.051 -0.319 26047 5667 1 12 . 1 1 77 77 SER C C 77 173.647 173.647 174.121 -0.474 26047 5668 1 12 . 1 1 77 77 SER CA C 77 57.726 57.726 55.685 2.041 26047 5669 1 12 . 1 1 77 77 SER CB C 77 62.763 62.763 63.583 -0.820 26047 5670 1 12 . 1 1 77 77 SER H H 77 8.612 8.612 8.717 -0.105 26047 5671 1 12 . 1 1 78 78 PRO HA H 78 4.488 4.488 4.345 0.143 26047 5672 1 12 . 1 1 78 78 PRO C C 78 180.133 180.133 177.156 2.977 26047 5673 1 12 . 1 1 78 78 PRO CA C 78 65.828 65.828 65.050 0.778 26047 5674 1 12 . 1 1 78 78 PRO CB C 78 30.995 30.995 32.145 -1.150 26047 5675 1 12 . 1 1 79 79 ASP N N 79 115.934 115.934 115.892 0.042 26047 5676 1 12 . 1 1 79 79 ASP HA H 79 4.390 4.390 4.567 -0.177 26047 5677 1 12 . 1 1 79 79 ASP C C 79 176.810 176.810 177.360 -0.550 26047 5678 1 12 . 1 1 79 79 ASP CA C 79 56.159 56.159 56.490 -0.331 26047 5679 1 12 . 1 1 79 79 ASP CB C 79 39.361 39.361 41.026 -1.665 26047 5680 1 12 . 1 1 79 79 ASP H H 79 8.799 8.799 8.685 0.114 26047 5681 1 12 . 1 1 80 80 TYR N N 80 120.969 120.969 118.970 1.999 26047 5682 1 12 . 1 1 80 80 TYR HA H 80 4.377 4.377 4.512 -0.135 26047 5683 1 12 . 1 1 80 80 TYR C C 80 173.332 173.332 175.306 -1.974 26047 5684 1 12 . 1 1 80 80 TYR CA C 80 57.597 57.597 59.429 -1.832 26047 5685 1 12 . 1 1 80 80 TYR CB C 80 38.903 38.903 39.668 -0.765 26047 5686 1 12 . 1 1 80 80 TYR H H 80 8.116 8.116 7.769 0.347 26047 5687 1 12 . 1 1 81 81 ALA N N 81 125.669 125.669 122.088 3.581 26047 5688 1 12 . 1 1 81 81 ALA HA H 81 4.421 4.421 3.979 0.442 26047 5689 1 12 . 1 1 81 81 ALA C C 81 175.888 175.888 177.604 -1.716 26047 5690 1 12 . 1 1 81 81 ALA CA C 81 51.701 51.701 54.553 -2.852 26047 5691 1 12 . 1 1 81 81 ALA CB C 81 19.334 19.334 19.219 0.115 26047 5692 1 12 . 1 1 81 81 ALA H H 81 7.801 7.801 8.325 -0.524 26047 5693 1 12 . 1 1 82 82 TYR N N 82 122.080 122.080 114.896 7.184 26047 5694 1 12 . 1 1 82 82 TYR HA H 82 4.566 4.566 4.591 -0.025 26047 5695 1 12 . 1 1 82 82 TYR C C 82 176.653 176.653 176.528 0.125 26047 5696 1 12 . 1 1 82 82 TYR CA C 82 58.865 58.865 58.484 0.381 26047 5697 1 12 . 1 1 82 82 TYR CB C 82 37.995 37.995 41.732 -3.737 26047 5698 1 12 . 1 1 82 82 TYR H H 82 9.321 9.321 7.615 1.706 26047 5699 1 12 . 1 1 83 83 GLY N N 83 108.394 108.394 106.578 1.816 26047 5700 1 12 . 1 1 83 83 GLY C C 83 175.214 175.214 172.799 2.415 26047 5701 1 12 . 1 1 83 83 GLY CA C 83 46.827 46.827 45.335 1.492 26047 5702 1 12 . 1 1 83 83 GLY H H 83 8.535 8.535 7.910 0.625 26047 5703 1 12 . 1 1 84 84 ALA HA H 84 3.273 3.273 4.238 -0.965 26047 5704 1 12 . 1 1 84 84 ALA C C 84 177.536 177.536 177.941 -0.405 26047 5705 1 12 . 1 1 84 84 ALA CA C 84 53.514 53.514 53.583 -0.069 26047 5706 1 12 . 1 1 84 84 ALA CB C 84 19.318 19.318 19.033 0.285 26047 5707 1 12 . 1 1 85 85 THR N N 85 109.341 109.341 113.401 -4.060 26047 5708 1 12 . 1 1 85 85 THR HA H 85 4.038 4.038 4.227 -0.189 26047 5709 1 12 . 1 1 85 85 THR C C 85 177.149 177.149 175.138 2.011 26047 5710 1 12 . 1 1 85 85 THR CA C 85 64.040 64.040 62.239 1.801 26047 5711 1 12 . 1 1 85 85 THR CB C 85 69.466 69.466 69.655 -0.189 26047 5712 1 12 . 1 1 85 85 THR H H 85 7.927 7.927 7.973 -0.046 26047 5713 1 12 . 1 1 86 86 GLY N N 86 106.961 106.961 109.532 -2.571 26047 5714 1 12 . 1 1 86 86 GLY C C 86 171.567 171.567 172.820 -1.253 26047 5715 1 12 . 1 1 86 86 GLY CA C 86 45.151 45.151 44.521 0.630 26047 5716 1 12 . 1 1 86 86 GLY H H 86 7.341 7.341 7.663 -0.322 26047 5717 1 12 . 1 1 87 87 HIS N N 87 121.870 121.870 120.480 1.390 26047 5718 1 12 . 1 1 87 87 HIS HA H 87 4.967 4.967 4.656 0.311 26047 5719 1 12 . 1 1 87 87 HIS C C 87 172.750 172.750 173.646 -0.896 26047 5720 1 12 . 1 1 87 87 HIS CA C 87 53.029 53.029 52.631 0.398 26047 5721 1 12 . 1 1 87 87 HIS CB C 87 32.349 32.349 30.663 1.685 26047 5722 1 12 . 1 1 87 87 HIS H H 87 8.799 8.799 8.025 0.774 26047 5723 1 12 . 1 1 88 88 PRO HA H 88 4.132 4.132 4.297 -0.165 26047 5724 1 12 . 1 1 88 88 PRO C C 88 176.585 176.585 177.390 -0.805 26047 5725 1 12 . 1 1 88 88 PRO CA C 88 65.123 65.123 63.669 1.454 26047 5726 1 12 . 1 1 88 88 PRO CB C 88 31.851 31.851 31.711 0.140 26047 5727 1 12 . 1 1 89 89 GLY N N 89 113.445 113.445 113.348 0.097 26047 5728 1 12 . 1 1 89 89 GLY C C 89 174.030 174.030 174.733 -0.703 26047 5729 1 12 . 1 1 89 89 GLY CA C 89 45.251 45.251 45.132 0.119 26047 5730 1 12 . 1 1 89 89 GLY H H 89 8.571 8.571 8.689 -0.118 26047 5731 1 12 . 1 1 90 90 ILE N N 90 118.128 118.128 121.134 -3.006 26047 5732 1 12 . 1 1 90 90 ILE HA H 90 4.252 4.252 4.211 0.041 26047 5733 1 12 . 1 1 90 90 ILE C C 90 174.403 174.403 175.905 -1.502 26047 5734 1 12 . 1 1 90 90 ILE CA C 90 62.855 62.855 62.531 0.324 26047 5735 1 12 . 1 1 90 90 ILE CB C 90 41.565 41.565 38.980 2.585 26047 5736 1 12 . 1 1 90 90 ILE H H 90 8.103 8.103 7.643 0.460 26047 5737 1 12 . 1 1 91 91 ILE N N 91 119.444 119.444 120.378 -0.934 26047 5738 1 12 . 1 1 91 91 ILE HA H 91 4.506 4.506 4.326 0.180 26047 5739 1 12 . 1 1 91 91 ILE C C 91 174.345 174.345 173.817 0.528 26047 5740 1 12 . 1 1 91 91 ILE CA C 91 56.335 56.335 56.978 -0.643 26047 5741 1 12 . 1 1 91 91 ILE CB C 91 40.719 40.719 36.707 4.012 26047 5742 1 12 . 1 1 91 91 ILE H H 91 8.241 8.241 7.528 0.713 26047 5743 1 12 . 1 1 92 92 PRO HA H 92 4.717 4.717 4.686 0.031 26047 5744 1 12 . 1 1 92 92 PRO CB C 92 31.011 31.011 31.352 -0.341 26047 5745 1 12 . 1 1 93 93 PRO HA H 93 3.617 3.617 4.304 -0.687 26047 5746 1 12 . 1 1 93 93 PRO C C 93 175.714 175.714 176.984 -1.270 26047 5747 1 12 . 1 1 93 93 PRO CA C 93 63.618 63.618 63.096 0.522 26047 5748 1 12 . 1 1 93 93 PRO CB C 93 33.171 33.171 32.386 0.785 26047 5749 1 12 . 1 1 94 94 HIS N N 94 115.851 115.851 116.528 -0.677 26047 5750 1 12 . 1 1 94 94 HIS HA H 94 3.804 3.804 4.158 -0.354 26047 5751 1 12 . 1 1 94 94 HIS C C 94 173.821 173.821 173.756 0.065 26047 5752 1 12 . 1 1 94 94 HIS CA C 94 57.145 57.145 57.559 -0.414 26047 5753 1 12 . 1 1 94 94 HIS CB C 94 27.977 27.977 27.725 0.252 26047 5754 1 12 . 1 1 94 94 HIS H H 94 7.934 7.934 8.518 -0.584 26047 5755 1 12 . 1 1 95 95 ALA N N 95 122.072 122.072 120.989 1.083 26047 5756 1 12 . 1 1 95 95 ALA HA H 95 4.459 4.459 4.645 -0.186 26047 5757 1 12 . 1 1 95 95 ALA C C 95 177.246 177.246 175.608 1.638 26047 5758 1 12 . 1 1 95 95 ALA CA C 95 52.728 52.728 50.822 1.906 26047 5759 1 12 . 1 1 95 95 ALA CB C 95 20.567 20.567 21.660 -1.093 26047 5760 1 12 . 1 1 95 95 ALA H H 95 7.706 7.706 7.707 -0.001 26047 5761 1 12 . 1 1 96 96 THR N N 96 122.875 122.875 119.331 3.544 26047 5762 1 12 . 1 1 96 96 THR HA H 96 4.650 4.650 4.423 0.227 26047 5763 1 12 . 1 1 96 96 THR C C 96 173.818 173.818 173.945 -0.127 26047 5764 1 12 . 1 1 96 96 THR CA C 96 63.778 63.778 63.647 0.131 26047 5765 1 12 . 1 1 96 96 THR CB C 96 69.588 69.588 69.574 0.014 26047 5766 1 12 . 1 1 96 96 THR H H 96 8.448 8.448 8.215 0.233 26047 5767 1 12 . 1 1 97 97 LEU N N 97 124.809 124.809 125.185 -0.376 26047 5768 1 12 . 1 1 97 97 LEU HA H 97 5.110 5.110 4.742 0.367 26047 5769 1 12 . 1 1 97 97 LEU C C 97 175.041 175.041 175.539 -0.498 26047 5770 1 12 . 1 1 97 97 LEU CA C 97 52.832 52.832 53.970 -1.138 26047 5771 1 12 . 1 1 97 97 LEU CB C 97 46.391 46.391 45.287 1.104 26047 5772 1 12 . 1 1 97 97 LEU H H 97 8.725 8.725 9.079 -0.353 26047 5773 1 12 . 1 1 98 98 VAL N N 98 121.081 121.081 118.766 2.315 26047 5774 1 12 . 1 1 98 98 VAL HA H 98 5.215 5.215 4.585 0.630 26047 5775 1 12 . 1 1 98 98 VAL C C 98 175.150 175.150 174.489 0.661 26047 5776 1 12 . 1 1 98 98 VAL CA C 98 60.662 60.662 61.467 -0.805 26047 5777 1 12 . 1 1 98 98 VAL CB C 98 34.355 34.355 34.065 0.291 26047 5778 1 12 . 1 1 98 98 VAL H H 98 8.692 8.692 8.536 0.156 26047 5779 1 12 . 1 1 99 99 PHE N N 99 123.638 123.638 125.755 -2.117 26047 5780 1 12 . 1 1 99 99 PHE HA H 99 5.754 5.754 5.754 -0.000 26047 5781 1 12 . 1 1 99 99 PHE C C 99 174.328 174.328 174.102 0.226 26047 5782 1 12 . 1 1 99 99 PHE CA C 99 55.196 55.196 56.224 -1.028 26047 5783 1 12 . 1 1 99 99 PHE CB C 99 43.396 43.396 43.581 -0.185 26047 5784 1 12 . 1 1 99 99 PHE H H 99 9.724 9.724 9.373 0.351 26047 5785 1 12 . 1 1 100 100 ASP N N 100 124.358 124.358 124.234 0.124 26047 5786 1 12 . 1 1 100 100 ASP HA H 100 5.164 5.164 5.069 0.095 26047 5787 1 12 . 1 1 100 100 ASP C C 100 176.946 176.946 175.460 1.486 26047 5788 1 12 . 1 1 100 100 ASP CA C 100 52.778 52.778 53.272 -0.494 26047 5789 1 12 . 1 1 100 100 ASP CB C 100 42.320 42.320 43.222 -0.902 26047 5790 1 12 . 1 1 100 100 ASP H H 100 8.775 8.775 8.588 0.187 26047 5791 1 12 . 1 1 101 101 VAL N N 101 126.428 126.428 120.351 6.077 26047 5792 1 12 . 1 1 101 101 VAL HA H 101 5.057 5.057 5.387 -0.330 26047 5793 1 12 . 1 1 101 101 VAL C C 101 172.620 172.620 173.996 -1.376 26047 5794 1 12 . 1 1 101 101 VAL CA C 101 61.041 61.041 59.284 1.757 26047 5795 1 12 . 1 1 101 101 VAL CB C 101 35.481 35.481 34.901 0.580 26047 5796 1 12 . 1 1 101 101 VAL H H 101 9.513 9.513 7.710 1.803 26047 5797 1 12 . 1 1 102 102 GLU N N 102 128.393 128.393 121.227 7.166 26047 5798 1 12 . 1 1 102 102 GLU HA H 102 5.392 5.392 4.919 0.473 26047 5799 1 12 . 1 1 102 102 GLU C C 102 175.174 175.174 175.130 0.044 26047 5800 1 12 . 1 1 102 102 GLU CA C 102 53.979 53.979 53.809 0.170 26047 5801 1 12 . 1 1 102 102 GLU CB C 102 33.852 33.852 32.777 1.075 26047 5802 1 12 . 1 1 102 102 GLU H H 102 9.285 9.285 8.181 1.104 26047 5803 1 12 . 1 1 103 103 LEU N N 103 128.290 128.290 125.797 2.493 26047 5804 1 12 . 1 1 103 103 LEU HA H 103 4.671 4.671 4.324 0.347 26047 5805 1 12 . 1 1 103 103 LEU C C 103 174.266 174.266 175.837 -1.571 26047 5806 1 12 . 1 1 103 103 LEU CA C 103 54.356 54.356 54.678 -0.322 26047 5807 1 12 . 1 1 103 103 LEU CB C 103 41.465 41.465 40.501 0.964 26047 5808 1 12 . 1 1 103 103 LEU H H 103 8.613 8.613 8.741 -0.128 26047 5809 1 13 . 1 1 -2 -2 PRO HA H -2 4.485 4.485 4.963 -0.478 26047 5810 1 13 . 1 1 -2 -2 PRO C C -2 176.570 176.570 176.246 0.324 26047 5811 1 13 . 1 1 -2 -2 PRO CA C -2 63.243 63.243 62.384 0.859 26047 5812 1 13 . 1 1 -2 -2 PRO CB C -2 32.290 32.290 33.250 -0.960 26047 5813 1 13 . 1 1 -1 -1 SER N N -1 116.659 116.659 115.075 1.584 26047 5814 1 13 . 1 1 -1 -1 SER HA H -1 4.422 4.422 4.602 -0.180 26047 5815 1 13 . 1 1 -1 -1 SER C C -1 174.384 174.384 175.347 -0.963 26047 5816 1 13 . 1 1 -1 -1 SER CA C -1 58.230 58.230 59.262 -1.032 26047 5817 1 13 . 1 1 -1 -1 SER CB C -1 63.838 63.838 63.929 -0.091 26047 5818 1 13 . 1 1 -1 -1 SER H H -1 8.542 8.542 8.370 0.172 26047 5819 1 13 . 1 1 0 0 MET N N 0 122.115 122.115 119.792 2.323 26047 5820 1 13 . 1 1 0 0 MET HA H 0 4.441 4.441 4.518 -0.077 26047 5821 1 13 . 1 1 0 0 MET C C 0 176.182 176.182 176.685 -0.503 26047 5822 1 13 . 1 1 0 0 MET CA C 0 55.346 55.346 56.268 -0.922 26047 5823 1 13 . 1 1 0 0 MET CB C 0 33.248 33.248 33.303 -0.055 26047 5824 1 13 . 1 1 0 0 MET H H 0 8.356 8.356 7.912 0.444 26047 5825 1 13 . 1 1 1 1 GLY N N 1 110.724 110.724 106.952 3.772 26047 5826 1 13 . 1 1 1 1 GLY C C 1 172.468 172.468 172.458 0.010 26047 5827 1 13 . 1 1 1 1 GLY CA C 1 45.585 45.585 44.644 0.941 26047 5828 1 13 . 1 1 1 1 GLY H H 1 8.157 8.157 7.784 0.373 26047 5829 1 13 . 1 1 2 2 VAL N N 2 117.765 117.765 121.548 -3.783 26047 5830 1 13 . 1 1 2 2 VAL HA H 2 4.889 4.889 5.223 -0.334 26047 5831 1 13 . 1 1 2 2 VAL C C 2 173.396 173.396 174.242 -0.846 26047 5832 1 13 . 1 1 2 2 VAL CA C 2 59.731 59.731 59.688 0.043 26047 5833 1 13 . 1 1 2 2 VAL CB C 2 34.600 34.600 33.851 0.749 26047 5834 1 13 . 1 1 2 2 VAL H H 2 7.471 7.471 7.374 0.097 26047 5835 1 13 . 1 1 3 3 GLN N N 3 126.962 126.962 128.687 -1.725 26047 5836 1 13 . 1 1 3 3 GLN HA H 3 4.686 4.686 4.690 -0.004 26047 5837 1 13 . 1 1 3 3 GLN C C 3 174.658 174.658 174.370 0.288 26047 5838 1 13 . 1 1 3 3 GLN CA C 3 54.379 54.379 54.735 -0.356 26047 5839 1 13 . 1 1 3 3 GLN CB C 3 31.669 31.669 31.298 0.371 26047 5840 1 13 . 1 1 3 3 GLN H H 3 8.514 8.514 8.146 0.368 26047 5841 1 13 . 1 1 4 4 VAL N N 4 125.396 125.396 123.162 2.234 26047 5842 1 13 . 1 1 4 4 VAL HA H 4 4.520 4.520 4.356 0.164 26047 5843 1 13 . 1 1 4 4 VAL C C 4 175.411 175.411 174.703 0.708 26047 5844 1 13 . 1 1 4 4 VAL CA C 4 61.993 61.993 61.141 0.852 26047 5845 1 13 . 1 1 4 4 VAL CB C 4 33.355 33.355 33.370 -0.014 26047 5846 1 13 . 1 1 4 4 VAL H H 4 8.823 8.823 8.631 0.192 26047 5847 1 13 . 1 1 5 5 GLU N N 5 128.706 128.706 127.979 0.727 26047 5848 1 13 . 1 1 5 5 GLU HA H 5 4.782 4.782 4.667 0.115 26047 5849 1 13 . 1 1 5 5 GLU C C 5 175.830 175.830 175.375 0.455 26047 5850 1 13 . 1 1 5 5 GLU CA C 5 54.451 54.451 54.507 -0.056 26047 5851 1 13 . 1 1 5 5 GLU CB C 5 32.818 32.818 31.907 0.911 26047 5852 1 13 . 1 1 5 5 GLU H H 5 9.024 9.024 8.598 0.426 26047 5853 1 13 . 1 1 6 6 THR N N 6 124.408 124.408 120.125 4.283 26047 5854 1 13 . 1 1 6 6 THR HA H 6 3.898 3.898 4.206 -0.308 26047 5855 1 13 . 1 1 6 6 THR C C 6 173.675 173.675 174.163 -0.488 26047 5856 1 13 . 1 1 6 6 THR CA C 6 66.715 66.715 63.480 3.235 26047 5857 1 13 . 1 1 6 6 THR CB C 6 68.934 68.934 69.331 -0.397 26047 5858 1 13 . 1 1 6 6 THR H H 6 9.173 9.173 8.637 0.536 26047 5859 1 13 . 1 1 7 7 ILE N N 7 129.476 129.476 127.550 1.926 26047 5860 1 13 . 1 1 7 7 ILE HA H 7 4.071 4.071 4.307 -0.236 26047 5861 1 13 . 1 1 7 7 ILE C C 7 175.768 175.768 176.203 -0.435 26047 5862 1 13 . 1 1 7 7 ILE CA C 7 63.285 63.285 61.892 1.393 26047 5863 1 13 . 1 1 7 7 ILE CB C 7 39.659 39.659 39.604 0.055 26047 5864 1 13 . 1 1 7 7 ILE H H 7 9.329 9.329 9.056 0.273 26047 5865 1 13 . 1 1 8 8 SER N N 8 114.774 114.774 115.658 -0.884 26047 5866 1 13 . 1 1 8 8 SER HA H 8 4.987 4.987 4.951 0.036 26047 5867 1 13 . 1 1 8 8 SER C C 8 171.895 171.895 172.309 -0.414 26047 5868 1 13 . 1 1 8 8 SER CA C 8 55.577 55.577 54.747 0.830 26047 5869 1 13 . 1 1 8 8 SER CB C 8 64.384 64.384 64.532 -0.148 26047 5870 1 13 . 1 1 8 8 SER H H 8 8.300 8.300 8.061 0.239 26047 5871 1 13 . 1 1 9 9 PRO HA H 9 4.331 4.331 4.620 -0.289 26047 5872 1 13 . 1 1 9 9 PRO C C 9 177.628 177.628 176.559 1.069 26047 5873 1 13 . 1 1 9 9 PRO CA C 9 63.646 63.646 62.584 1.062 26047 5874 1 13 . 1 1 9 9 PRO CB C 9 32.910 32.910 32.450 0.459 26047 5875 1 13 . 1 1 10 10 GLY N N 10 107.910 107.910 112.246 -4.336 26047 5876 1 13 . 1 1 10 10 GLY C C 10 174.203 174.203 174.102 0.101 26047 5877 1 13 . 1 1 10 10 GLY CA C 10 44.176 44.176 45.041 -0.865 26047 5878 1 13 . 1 1 10 10 GLY H H 10 8.464 8.464 8.128 0.336 26047 5879 1 13 . 1 1 11 11 ASP N N 11 118.911 118.911 120.759 -1.848 26047 5880 1 13 . 1 1 11 11 ASP HA H 11 4.289 4.289 4.639 -0.350 26047 5881 1 13 . 1 1 11 11 ASP C C 11 178.317 178.317 177.287 1.030 26047 5882 1 13 . 1 1 11 11 ASP CA C 11 54.629 54.629 55.297 -0.668 26047 5883 1 13 . 1 1 11 11 ASP CB C 11 39.382 39.382 42.159 -2.777 26047 5884 1 13 . 1 1 11 11 ASP H H 11 8.049 8.049 8.069 -0.020 26047 5885 1 13 . 1 1 12 12 GLY N N 12 108.262 108.262 107.085 1.177 26047 5886 1 13 . 1 1 12 12 GLY C C 12 173.279 173.279 174.415 -1.136 26047 5887 1 13 . 1 1 12 12 GLY CA C 12 46.049 46.049 46.010 0.040 26047 5888 1 13 . 1 1 12 12 GLY H H 12 8.719 8.719 8.200 0.519 26047 5889 1 13 . 1 1 13 13 ARG N N 13 117.671 117.671 116.436 1.235 26047 5890 1 13 . 1 1 13 13 ARG HA H 13 4.709 4.709 4.676 0.033 26047 5891 1 13 . 1 1 13 13 ARG C C 13 175.038 175.038 174.852 0.186 26047 5892 1 13 . 1 1 13 13 ARG CA C 13 56.794 56.794 55.670 1.124 26047 5893 1 13 . 1 1 13 13 ARG CB C 13 34.416 34.416 31.692 2.724 26047 5894 1 13 . 1 1 13 13 ARG H H 13 8.539 8.539 8.024 0.515 26047 5895 1 13 . 1 1 14 14 THR N N 14 125.323 125.323 118.263 7.060 26047 5896 1 13 . 1 1 14 14 THR HA H 14 4.205 4.205 4.627 -0.422 26047 5897 1 13 . 1 1 14 14 THR C C 14 172.353 172.353 172.750 -0.397 26047 5898 1 13 . 1 1 14 14 THR CA C 14 62.060 62.060 61.675 0.386 26047 5899 1 13 . 1 1 14 14 THR CB C 14 66.395 66.395 68.920 -2.525 26047 5900 1 13 . 1 1 14 14 THR H H 14 10.197 10.197 7.633 2.564 26047 5901 1 13 . 1 1 15 15 PHE N N 15 124.865 124.865 126.290 -1.425 26047 5902 1 13 . 1 1 15 15 PHE HA H 15 5.232 5.232 5.169 0.063 26047 5903 1 13 . 1 1 15 15 PHE C C 15 174.388 174.388 174.796 -0.408 26047 5904 1 13 . 1 1 15 15 PHE CA C 15 54.495 54.495 55.069 -0.574 26047 5905 1 13 . 1 1 15 15 PHE CB C 15 39.883 39.883 39.546 0.337 26047 5906 1 13 . 1 1 15 15 PHE H H 15 8.086 8.086 8.614 -0.528 26047 5907 1 13 . 1 1 19 19 GLY N N 19 112.901 112.901 112.524 0.377 26047 5908 1 13 . 1 1 19 19 GLY C C 19 174.204 174.204 173.133 1.071 26047 5909 1 13 . 1 1 19 19 GLY CA C 19 44.943 44.943 45.032 -0.089 26047 5910 1 13 . 1 1 19 19 GLY H H 19 8.682 8.682 8.475 0.207 26047 5911 1 13 . 1 1 20 20 GLN N N 20 118.698 118.698 119.340 -0.642 26047 5912 1 13 . 1 1 20 20 GLN HA H 20 4.497 4.497 4.642 -0.145 26047 5913 1 13 . 1 1 20 20 GLN C C 20 174.974 174.974 174.876 0.098 26047 5914 1 13 . 1 1 20 20 GLN CA C 20 56.335 56.335 54.229 2.106 26047 5915 1 13 . 1 1 20 20 GLN CB C 20 30.891 30.891 29.662 1.229 26047 5916 1 13 . 1 1 20 20 GLN H H 20 8.103 8.103 7.877 0.226 26047 5917 1 13 . 1 1 21 21 THR N N 21 119.715 119.715 115.661 4.054 26047 5918 1 13 . 1 1 21 21 THR HA H 21 4.457 4.457 4.898 -0.441 26047 5919 1 13 . 1 1 21 21 THR C C 21 173.797 173.797 174.362 -0.565 26047 5920 1 13 . 1 1 21 21 THR CA C 21 63.067 63.067 62.059 1.008 26047 5921 1 13 . 1 1 21 21 THR CB C 21 68.825 68.825 69.549 -0.724 26047 5922 1 13 . 1 1 21 21 THR H H 21 8.729 8.729 8.342 0.387 26047 5923 1 13 . 1 1 22 22 CYS N N 22 126.008 126.008 125.483 0.525 26047 5924 1 13 . 1 1 22 22 CYS HA H 22 4.269 4.269 4.672 -0.403 26047 5925 1 13 . 1 1 22 22 CYS C C 22 172.458 172.458 173.106 -0.648 26047 5926 1 13 . 1 1 22 22 CYS CA C 22 58.011 58.011 56.853 1.158 26047 5927 1 13 . 1 1 22 22 CYS CB C 22 28.794 28.794 28.440 0.354 26047 5928 1 13 . 1 1 22 22 CYS H H 22 8.826 8.826 8.449 0.377 26047 5929 1 13 . 1 1 23 23 VAL N N 23 123.456 123.456 130.542 -7.086 26047 5930 1 13 . 1 1 23 23 VAL HA H 23 4.595 4.595 4.356 0.239 26047 5931 1 13 . 1 1 23 23 VAL C C 23 175.899 175.899 174.913 0.986 26047 5932 1 13 . 1 1 23 23 VAL CA C 23 61.411 61.411 62.632 -1.221 26047 5933 1 13 . 1 1 23 23 VAL CB C 23 31.277 31.277 31.445 -0.168 26047 5934 1 13 . 1 1 23 23 VAL H H 23 8.063 8.063 8.790 -0.727 26047 5935 1 13 . 1 1 24 24 VAL N N 24 118.126 118.126 121.223 -3.097 26047 5936 1 13 . 1 1 24 24 VAL HA H 24 5.852 5.852 5.004 0.848 26047 5937 1 13 . 1 1 24 24 VAL C C 24 175.589 175.589 174.323 1.266 26047 5938 1 13 . 1 1 24 24 VAL CA C 24 57.962 57.962 59.518 -1.556 26047 5939 1 13 . 1 1 24 24 VAL CB C 24 35.885 35.885 35.811 0.074 26047 5940 1 13 . 1 1 24 24 VAL H H 24 9.620 9.620 8.802 0.818 26047 5941 1 13 . 1 1 25 25 HIS N N 25 118.824 118.824 122.916 -4.092 26047 5942 1 13 . 1 1 25 25 HIS HA H 25 5.865 5.865 5.224 0.641 26047 5943 1 13 . 1 1 25 25 HIS C C 25 176.663 176.663 174.897 1.766 26047 5944 1 13 . 1 1 25 25 HIS CA C 25 54.463 54.463 55.323 -0.860 26047 5945 1 13 . 1 1 25 25 HIS CB C 25 35.454 35.454 31.900 3.554 26047 5946 1 13 . 1 1 25 25 HIS H H 25 8.579 8.579 8.250 0.329 26047 5947 1 13 . 1 1 26 26 TYR N N 26 118.524 118.524 123.645 -5.121 26047 5948 1 13 . 1 1 26 26 TYR HA H 26 6.441 6.441 5.645 0.796 26047 5949 1 13 . 1 1 26 26 TYR C C 26 173.864 173.864 174.330 -0.466 26047 5950 1 13 . 1 1 26 26 TYR CA C 26 55.934 55.934 55.052 0.882 26047 5951 1 13 . 1 1 26 26 TYR CB C 26 44.380 44.380 41.022 3.358 26047 5952 1 13 . 1 1 26 26 TYR H H 26 9.937 9.937 9.145 0.792 26047 5953 1 13 . 1 1 27 27 THR N N 27 117.098 117.098 114.309 2.789 26047 5954 1 13 . 1 1 27 27 THR HA H 27 4.482 4.482 4.417 0.065 26047 5955 1 13 . 1 1 27 27 THR C C 27 172.648 172.648 173.652 -1.004 26047 5956 1 13 . 1 1 27 27 THR CA C 27 63.163 63.163 61.797 1.366 26047 5957 1 13 . 1 1 27 27 THR CB C 27 72.324 72.324 70.001 2.323 26047 5958 1 13 . 1 1 27 27 THR H H 27 8.716 8.716 8.674 0.042 26047 5959 1 13 . 1 1 28 28 GLY N N 28 115.590 115.590 113.964 1.626 26047 5960 1 13 . 1 1 28 28 GLY C C 28 171.083 171.083 171.582 -0.499 26047 5961 1 13 . 1 1 28 28 GLY CA C 28 45.419 45.419 43.433 1.986 26047 5962 1 13 . 1 1 28 28 GLY H H 28 9.316 9.316 8.624 0.692 26047 5963 1 13 . 1 1 29 29 MET N N 29 125.723 125.723 124.295 1.428 26047 5964 1 13 . 1 1 29 29 MET HA H 29 5.251 5.251 4.530 0.721 26047 5965 1 13 . 1 1 29 29 MET C C 29 175.508 175.508 175.528 -0.020 26047 5966 1 13 . 1 1 29 29 MET CA C 29 54.221 54.221 54.157 0.064 26047 5967 1 13 . 1 1 29 29 MET CB C 29 37.913 37.913 36.680 1.233 26047 5968 1 13 . 1 1 29 29 MET H H 29 9.192 9.192 8.679 0.513 26047 5969 1 13 . 1 1 30 30 LEU N N 30 119.150 119.150 123.788 -4.638 26047 5970 1 13 . 1 1 30 30 LEU HA H 30 4.772 4.772 4.216 0.556 26047 5971 1 13 . 1 1 30 30 LEU C C 30 179.278 179.278 178.709 0.569 26047 5972 1 13 . 1 1 30 30 LEU CA C 30 54.169 54.169 56.063 -1.894 26047 5973 1 13 . 1 1 30 30 LEU CB C 30 41.634 41.634 42.602 -0.968 26047 5974 1 13 . 1 1 30 30 LEU H H 30 8.433 8.433 8.790 -0.357 26047 5975 1 13 . 1 1 31 31 GLU N N 31 120.636 120.636 120.850 -0.214 26047 5976 1 13 . 1 1 31 31 GLU HA H 31 3.816 3.816 3.988 -0.172 26047 5977 1 13 . 1 1 31 31 GLU C C 31 176.568 176.568 177.562 -0.994 26047 5978 1 13 . 1 1 31 31 GLU CA C 31 59.788 59.788 59.311 0.477 26047 5979 1 13 . 1 1 31 31 GLU CB C 31 29.883 29.883 29.719 0.164 26047 5980 1 13 . 1 1 31 31 GLU H H 31 9.110 9.110 8.981 0.129 26047 5981 1 13 . 1 1 32 32 ASP N N 32 115.429 115.429 115.185 0.244 26047 5982 1 13 . 1 1 32 32 ASP HA H 32 4.420 4.420 4.704 -0.284 26047 5983 1 13 . 1 1 32 32 ASP C C 32 177.209 177.209 175.966 1.243 26047 5984 1 13 . 1 1 32 32 ASP CA C 32 53.556 53.556 54.090 -0.534 26047 5985 1 13 . 1 1 32 32 ASP CB C 32 40.030 40.030 41.509 -1.479 26047 5986 1 13 . 1 1 32 32 ASP H H 32 7.826 7.826 8.217 -0.391 26047 5987 1 13 . 1 1 37 37 ASP N N 37 118.871 118.871 121.712 -2.841 26047 5988 1 13 . 1 1 37 37 ASP HA H 37 4.827 4.827 4.650 0.177 26047 5989 1 13 . 1 1 37 37 ASP C C 37 174.807 174.807 173.976 0.831 26047 5990 1 13 . 1 1 37 37 ASP CA C 37 54.739 54.739 55.237 -0.498 26047 5991 1 13 . 1 1 37 37 ASP CB C 37 44.386 44.386 43.778 0.608 26047 5992 1 13 . 1 1 37 37 ASP H H 37 6.765 6.765 7.784 -1.019 26047 5993 1 13 . 1 1 38 38 SER N N 38 118.532 118.532 117.205 1.327 26047 5994 1 13 . 1 1 38 38 SER HA H 38 4.581 4.581 4.656 -0.075 26047 5995 1 13 . 1 1 38 38 SER C C 38 174.967 174.967 175.080 -0.113 26047 5996 1 13 . 1 1 38 38 SER CA C 38 57.033 57.033 56.641 0.392 26047 5997 1 13 . 1 1 38 38 SER CB C 38 64.862 64.862 65.403 -0.541 26047 5998 1 13 . 1 1 38 38 SER H H 38 8.196 8.196 8.363 -0.167 26047 5999 1 13 . 1 1 39 39 SER N N 39 124.920 124.920 121.440 3.480 26047 6000 1 13 . 1 1 39 39 SER HA H 39 4.131 4.131 4.415 -0.284 26047 6001 1 13 . 1 1 39 39 SER C C 39 177.101 177.101 176.187 0.914 26047 6002 1 13 . 1 1 39 39 SER CA C 39 61.690 61.690 60.143 1.547 26047 6003 1 13 . 1 1 39 39 SER CB C 39 61.632 61.632 63.256 -1.624 26047 6004 1 13 . 1 1 39 39 SER H H 39 7.872 7.872 8.107 -0.235 26047 6005 1 13 . 1 1 40 40 ARG N N 40 124.309 124.309 120.738 3.571 26047 6006 1 13 . 1 1 40 40 ARG HA H 40 3.607 3.607 4.305 -0.698 26047 6007 1 13 . 1 1 40 40 ARG C C 40 179.844 179.844 178.204 1.640 26047 6008 1 13 . 1 1 40 40 ARG CA C 40 58.859 58.859 58.703 0.157 26047 6009 1 13 . 1 1 40 40 ARG CB C 40 28.763 28.763 29.365 -0.602 26047 6010 1 13 . 1 1 40 40 ARG H H 40 7.617 7.617 7.429 0.188 26047 6011 1 13 . 1 1 41 41 ASP N N 41 118.394 118.394 120.465 -2.071 26047 6012 1 13 . 1 1 41 41 ASP HA H 41 4.314 4.314 4.412 -0.098 26047 6013 1 13 . 1 1 41 41 ASP C C 41 176.750 176.750 176.885 -0.135 26047 6014 1 13 . 1 1 41 41 ASP CA C 41 56.536 56.536 56.536 0.000 26047 6015 1 13 . 1 1 41 41 ASP CB C 41 40.095 40.095 40.449 -0.353 26047 6016 1 13 . 1 1 41 41 ASP H H 41 7.079 7.079 8.562 -1.483 26047 6017 1 13 . 1 1 42 42 ARG N N 42 115.037 115.037 116.605 -1.568 26047 6018 1 13 . 1 1 42 42 ARG HA H 42 4.431 4.431 4.416 0.015 26047 6019 1 13 . 1 1 42 42 ARG C C 42 175.430 175.430 175.699 -0.269 26047 6020 1 13 . 1 1 42 42 ARG CA C 42 56.099 56.099 55.673 0.426 26047 6021 1 13 . 1 1 42 42 ARG CB C 42 31.577 31.577 30.730 0.847 26047 6022 1 13 . 1 1 42 42 ARG H H 42 6.859 6.859 7.878 -1.019 26047 6023 1 13 . 1 1 49 49 MET N N 49 123.105 123.105 120.723 2.382 26047 6024 1 13 . 1 1 49 49 MET HA H 49 4.681 4.681 4.885 -0.204 26047 6025 1 13 . 1 1 49 49 MET C C 49 176.492 176.492 174.946 1.546 26047 6026 1 13 . 1 1 49 49 MET CA C 49 54.487 54.487 54.678 -0.191 26047 6027 1 13 . 1 1 49 49 MET CB C 49 33.755 33.755 34.380 -0.625 26047 6028 1 13 . 1 1 49 49 MET H H 49 9.261 9.261 8.377 0.884 26047 6029 1 13 . 1 1 50 50 LEU N N 50 131.689 131.689 124.464 7.225 26047 6030 1 13 . 1 1 50 50 LEU HA H 50 4.210 4.210 4.865 -0.655 26047 6031 1 13 . 1 1 50 50 LEU C C 50 177.825 177.825 177.575 0.250 26047 6032 1 13 . 1 1 50 50 LEU CA C 50 57.249 57.249 54.489 2.760 26047 6033 1 13 . 1 1 50 50 LEU CB C 50 41.752 41.752 42.365 -0.613 26047 6034 1 13 . 1 1 50 50 LEU H H 50 8.633 8.633 7.753 0.880 26047 6035 1 13 . 1 1 54 54 GLU N N 54 117.417 117.417 119.588 -2.171 26047 6036 1 13 . 1 1 54 54 GLU HA H 54 4.220 4.220 4.332 -0.112 26047 6037 1 13 . 1 1 54 54 GLU C C 54 176.221 176.221 176.044 0.177 26047 6038 1 13 . 1 1 54 54 GLU CA C 54 57.447 57.447 58.031 -0.584 26047 6039 1 13 . 1 1 54 54 GLU CB C 54 31.200 31.200 30.617 0.583 26047 6040 1 13 . 1 1 54 54 GLU H H 54 9.389 9.389 8.938 0.451 26047 6041 1 13 . 1 1 55 55 VAL N N 55 108.426 108.426 114.770 -6.344 26047 6042 1 13 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.205 0.109 26047 6043 1 13 . 1 1 55 55 VAL C C 55 175.226 175.226 175.224 0.002 26047 6044 1 13 . 1 1 55 55 VAL CA C 55 57.461 57.461 59.660 -2.199 26047 6045 1 13 . 1 1 55 55 VAL CB C 55 35.557 35.557 33.181 2.376 26047 6046 1 13 . 1 1 55 55 VAL H H 55 6.820 6.820 7.349 -0.529 26047 6047 1 13 . 1 1 56 56 ILE N N 56 111.618 111.618 113.298 -1.680 26047 6048 1 13 . 1 1 56 56 ILE HA H 56 3.853 3.853 4.105 -0.252 26047 6049 1 13 . 1 1 56 56 ILE C C 56 177.344 177.344 176.410 0.934 26047 6050 1 13 . 1 1 56 56 ILE CA C 56 61.975 61.975 60.405 1.570 26047 6051 1 13 . 1 1 56 56 ILE CB C 56 38.342 38.342 38.208 0.134 26047 6052 1 13 . 1 1 56 56 ILE H H 56 7.404 7.404 7.333 0.071 26047 6053 1 13 . 1 1 57 57 ARG N N 57 124.436 124.436 123.828 0.608 26047 6054 1 13 . 1 1 57 57 ARG HA H 57 4.063 4.063 4.028 0.035 26047 6055 1 13 . 1 1 57 57 ARG C C 57 179.428 179.428 178.568 0.860 26047 6056 1 13 . 1 1 57 57 ARG CA C 57 59.838 59.838 59.667 0.171 26047 6057 1 13 . 1 1 57 57 ARG CB C 57 30.630 30.630 30.209 0.421 26047 6058 1 13 . 1 1 57 57 ARG H H 57 8.631 8.631 8.373 0.258 26047 6059 1 13 . 1 1 58 58 GLY N N 58 107.151 107.151 104.999 2.152 26047 6060 1 13 . 1 1 58 58 GLY C C 58 175.210 175.210 175.420 -0.210 26047 6061 1 13 . 1 1 58 58 GLY CA C 58 47.621 47.621 46.573 1.048 26047 6062 1 13 . 1 1 58 58 GLY H H 58 9.688 9.688 7.970 1.718 26047 6063 1 13 . 1 1 59 59 TRP N N 59 119.956 119.956 121.626 -1.670 26047 6064 1 13 . 1 1 59 59 TRP HA H 59 4.227 4.227 4.523 -0.296 26047 6065 1 13 . 1 1 59 59 TRP C C 59 177.529 177.529 178.537 -1.008 26047 6066 1 13 . 1 1 59 59 TRP CA C 59 59.681 59.681 58.757 0.924 26047 6067 1 13 . 1 1 59 59 TRP CB C 59 29.092 29.092 29.442 -0.350 26047 6068 1 13 . 1 1 59 59 TRP H H 59 7.534 7.534 7.523 0.011 26047 6069 1 13 . 1 1 60 60 GLU N N 60 118.374 118.374 118.881 -0.507 26047 6070 1 13 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.209 -0.319 26047 6071 1 13 . 1 1 60 60 GLU C C 60 178.377 178.377 179.374 -0.997 26047 6072 1 13 . 1 1 60 60 GLU CA C 60 61.081 61.081 59.956 1.125 26047 6073 1 13 . 1 1 60 60 GLU CB C 60 29.417 29.417 29.462 -0.045 26047 6074 1 13 . 1 1 60 60 GLU H H 60 7.275 7.275 7.973 -0.698 26047 6075 1 13 . 1 1 61 61 GLU N N 61 113.896 113.896 117.629 -3.733 26047 6076 1 13 . 1 1 61 61 GLU HA H 61 4.149 4.149 4.367 -0.218 26047 6077 1 13 . 1 1 61 61 GLU C C 61 179.320 179.320 178.293 1.027 26047 6078 1 13 . 1 1 61 61 GLU CA C 61 58.633 58.633 58.233 0.400 26047 6079 1 13 . 1 1 61 61 GLU CB C 61 29.872 29.872 29.687 0.185 26047 6080 1 13 . 1 1 61 61 GLU H H 61 8.390 8.390 8.087 0.303 26047 6081 1 13 . 1 1 62 62 GLY N N 62 106.899 106.899 107.950 -1.051 26047 6082 1 13 . 1 1 62 62 GLY C C 62 174.585 174.585 176.129 -1.544 26047 6083 1 13 . 1 1 62 62 GLY CA C 62 47.194 47.194 45.915 1.279 26047 6084 1 13 . 1 1 62 62 GLY H H 62 7.932 7.932 7.608 0.324 26047 6085 1 13 . 1 1 63 63 VAL N N 63 120.730 120.730 122.277 -1.547 26047 6086 1 13 . 1 1 63 63 VAL HA H 63 3.927 3.927 3.833 0.094 26047 6087 1 13 . 1 1 63 63 VAL C C 63 177.334 177.334 177.303 0.031 26047 6088 1 13 . 1 1 63 63 VAL CA C 63 65.419 65.419 65.033 0.386 26047 6089 1 13 . 1 1 63 63 VAL CB C 63 31.126 31.126 31.909 -0.783 26047 6090 1 13 . 1 1 63 63 VAL H H 63 8.688 8.688 8.708 -0.020 26047 6091 1 13 . 1 1 64 64 ALA N N 64 117.132 117.132 120.258 -3.126 26047 6092 1 13 . 1 1 64 64 ALA HA H 64 4.014 4.014 4.339 -0.325 26047 6093 1 13 . 1 1 64 64 ALA C C 64 177.759 177.759 178.073 -0.314 26047 6094 1 13 . 1 1 64 64 ALA CA C 64 54.526 54.526 53.765 0.761 26047 6095 1 13 . 1 1 64 64 ALA CB C 64 18.715 18.715 18.600 0.115 26047 6096 1 13 . 1 1 64 64 ALA H H 64 7.160 7.160 8.154 -0.994 26047 6097 1 13 . 1 1 65 65 GLN N N 65 112.231 112.231 116.166 -3.935 26047 6098 1 13 . 1 1 65 65 GLN HA H 65 4.359 4.359 4.382 -0.023 26047 6099 1 13 . 1 1 65 65 GLN C C 65 175.568 175.568 175.883 -0.315 26047 6100 1 13 . 1 1 65 65 GLN CA C 65 55.459 55.459 56.007 -0.548 26047 6101 1 13 . 1 1 65 65 GLN CB C 65 30.028 30.028 29.639 0.389 26047 6102 1 13 . 1 1 65 65 GLN H H 65 7.143 7.143 7.818 -0.675 26047 6103 1 13 . 1 1 66 66 MET N N 66 122.412 122.412 117.978 4.434 26047 6104 1 13 . 1 1 66 66 MET HA H 66 4.788 4.788 4.779 0.009 26047 6105 1 13 . 1 1 66 66 MET C C 66 172.467 172.467 174.824 -2.357 26047 6106 1 13 . 1 1 66 66 MET CA C 66 55.118 55.118 54.200 0.918 26047 6107 1 13 . 1 1 66 66 MET CB C 66 35.667 35.667 35.092 0.575 26047 6108 1 13 . 1 1 66 66 MET H H 66 7.965 7.965 7.498 0.467 26047 6109 1 13 . 1 1 67 67 SER N N 67 107.611 107.611 113.879 -6.268 26047 6110 1 13 . 1 1 67 67 SER HA H 67 4.833 4.833 4.501 0.332 26047 6111 1 13 . 1 1 67 67 SER C C 67 176.275 176.275 174.834 1.441 26047 6112 1 13 . 1 1 67 67 SER CA C 67 54.465 54.465 55.876 -1.411 26047 6113 1 13 . 1 1 67 67 SER CB C 67 65.982 65.982 65.376 0.606 26047 6114 1 13 . 1 1 67 67 SER H H 67 8.182 8.182 7.744 0.438 26047 6115 1 13 . 1 1 68 68 VAL N N 68 119.266 119.266 120.868 -1.602 26047 6116 1 13 . 1 1 68 68 VAL HA H 68 3.105 3.105 3.584 -0.479 26047 6117 1 13 . 1 1 68 68 VAL C C 68 176.390 176.390 176.743 -0.353 26047 6118 1 13 . 1 1 68 68 VAL CA C 68 67.074 67.074 64.978 2.096 26047 6119 1 13 . 1 1 68 68 VAL CB C 68 31.503 31.503 30.092 1.411 26047 6120 1 13 . 1 1 68 68 VAL H H 68 7.650 7.650 8.213 -0.563 26047 6121 1 13 . 1 1 69 69 GLY N N 69 116.900 116.900 114.716 2.184 26047 6122 1 13 . 1 1 69 69 GLY C C 69 173.934 173.934 173.805 0.129 26047 6123 1 13 . 1 1 69 69 GLY CA C 69 44.407 44.407 44.998 -0.591 26047 6124 1 13 . 1 1 69 69 GLY H H 69 8.855 8.855 8.769 0.086 26047 6125 1 13 . 1 1 70 70 GLN N N 70 123.210 123.210 120.709 2.501 26047 6126 1 13 . 1 1 70 70 GLN HA H 70 4.035 4.035 4.757 -0.722 26047 6127 1 13 . 1 1 70 70 GLN C C 70 173.663 173.663 174.437 -0.774 26047 6128 1 13 . 1 1 70 70 GLN CA C 70 55.788 55.788 54.830 0.958 26047 6129 1 13 . 1 1 70 70 GLN CB C 70 30.551 30.551 31.385 -0.834 26047 6130 1 13 . 1 1 70 70 GLN H H 70 8.607 8.607 7.933 0.674 26047 6131 1 13 . 1 1 71 71 ARG N N 71 124.586 124.586 125.997 -1.411 26047 6132 1 13 . 1 1 71 71 ARG HA H 71 5.660 5.660 4.863 0.797 26047 6133 1 13 . 1 1 71 71 ARG C C 71 175.582 175.582 173.974 1.608 26047 6134 1 13 . 1 1 71 71 ARG CA C 71 53.936 53.936 54.696 -0.760 26047 6135 1 13 . 1 1 71 71 ARG CB C 71 33.739 33.739 32.636 1.103 26047 6136 1 13 . 1 1 71 71 ARG H H 71 8.802 8.802 8.723 0.079 26047 6137 1 13 . 1 1 75 75 THR N N 75 121.856 121.856 120.579 1.277 26047 6138 1 13 . 1 1 75 75 THR HA H 75 5.052 5.052 4.801 0.251 26047 6139 1 13 . 1 1 75 75 THR C C 75 175.079 175.079 173.507 1.572 26047 6140 1 13 . 1 1 75 75 THR CA C 75 63.355 63.355 62.197 1.158 26047 6141 1 13 . 1 1 75 75 THR CB C 75 68.790 68.790 69.250 -0.460 26047 6142 1 13 . 1 1 75 75 THR H H 75 8.884 8.884 8.572 0.312 26047 6143 1 13 . 1 1 76 76 ILE N N 76 129.859 129.859 128.576 1.283 26047 6144 1 13 . 1 1 76 76 ILE HA H 76 4.680 4.680 4.585 0.095 26047 6145 1 13 . 1 1 76 76 ILE C C 76 173.943 173.943 175.433 -1.490 26047 6146 1 13 . 1 1 76 76 ILE CA C 76 60.898 60.898 58.751 2.147 26047 6147 1 13 . 1 1 76 76 ILE CB C 76 41.236 41.236 38.519 2.717 26047 6148 1 13 . 1 1 76 76 ILE H H 76 9.864 9.864 8.396 1.468 26047 6149 1 13 . 1 1 77 77 SER N N 77 123.243 123.243 121.905 1.338 26047 6150 1 13 . 1 1 77 77 SER HA H 77 4.732 4.732 5.068 -0.336 26047 6151 1 13 . 1 1 77 77 SER C C 77 173.647 173.647 174.339 -0.692 26047 6152 1 13 . 1 1 77 77 SER CA C 77 57.726 57.726 55.576 2.150 26047 6153 1 13 . 1 1 77 77 SER CB C 77 62.763 62.763 63.380 -0.617 26047 6154 1 13 . 1 1 77 77 SER H H 77 8.612 8.612 8.801 -0.189 26047 6155 1 13 . 1 1 78 78 PRO HA H 78 4.488 4.488 4.404 0.084 26047 6156 1 13 . 1 1 78 78 PRO C C 78 180.133 180.133 177.360 2.773 26047 6157 1 13 . 1 1 78 78 PRO CA C 78 65.828 65.828 65.122 0.706 26047 6158 1 13 . 1 1 78 78 PRO CB C 78 30.995 30.995 32.001 -1.006 26047 6159 1 13 . 1 1 79 79 ASP N N 79 115.934 115.934 116.257 -0.323 26047 6160 1 13 . 1 1 79 79 ASP HA H 79 4.390 4.390 4.594 -0.204 26047 6161 1 13 . 1 1 79 79 ASP C C 79 176.810 176.810 177.215 -0.405 26047 6162 1 13 . 1 1 79 79 ASP CA C 79 56.159 56.159 56.529 -0.370 26047 6163 1 13 . 1 1 79 79 ASP CB C 79 39.361 39.361 40.831 -1.470 26047 6164 1 13 . 1 1 79 79 ASP H H 79 8.799 8.799 8.813 -0.014 26047 6165 1 13 . 1 1 80 80 TYR N N 80 120.969 120.969 118.804 2.165 26047 6166 1 13 . 1 1 80 80 TYR HA H 80 4.377 4.377 4.516 -0.139 26047 6167 1 13 . 1 1 80 80 TYR C C 80 173.332 173.332 176.063 -2.731 26047 6168 1 13 . 1 1 80 80 TYR CA C 80 57.597 57.597 59.784 -2.187 26047 6169 1 13 . 1 1 80 80 TYR CB C 80 38.903 38.903 39.475 -0.572 26047 6170 1 13 . 1 1 80 80 TYR H H 80 8.116 8.116 7.707 0.409 26047 6171 1 13 . 1 1 81 81 ALA N N 81 125.669 125.669 122.897 2.772 26047 6172 1 13 . 1 1 81 81 ALA HA H 81 4.421 4.421 4.047 0.374 26047 6173 1 13 . 1 1 81 81 ALA C C 81 175.888 175.888 177.424 -1.536 26047 6174 1 13 . 1 1 81 81 ALA CA C 81 51.701 51.701 54.567 -2.866 26047 6175 1 13 . 1 1 81 81 ALA CB C 81 19.334 19.334 19.127 0.207 26047 6176 1 13 . 1 1 81 81 ALA H H 81 7.801 7.801 8.459 -0.658 26047 6177 1 13 . 1 1 82 82 TYR N N 82 122.080 122.080 114.810 7.270 26047 6178 1 13 . 1 1 82 82 TYR HA H 82 4.566 4.566 4.525 0.041 26047 6179 1 13 . 1 1 82 82 TYR C C 82 176.653 176.653 176.677 -0.024 26047 6180 1 13 . 1 1 82 82 TYR CA C 82 58.865 58.865 58.179 0.686 26047 6181 1 13 . 1 1 82 82 TYR CB C 82 37.995 37.995 41.623 -3.628 26047 6182 1 13 . 1 1 82 82 TYR H H 82 9.321 9.321 7.557 1.764 26047 6183 1 13 . 1 1 83 83 GLY N N 83 108.394 108.394 106.070 2.324 26047 6184 1 13 . 1 1 83 83 GLY C C 83 175.214 175.214 174.234 0.980 26047 6185 1 13 . 1 1 83 83 GLY CA C 83 46.827 46.827 44.958 1.869 26047 6186 1 13 . 1 1 83 83 GLY H H 83 8.535 8.535 8.140 0.395 26047 6187 1 13 . 1 1 84 84 ALA HA H 84 3.273 3.273 3.468 -0.195 26047 6188 1 13 . 1 1 84 84 ALA C C 84 177.536 177.536 177.036 0.500 26047 6189 1 13 . 1 1 84 84 ALA CA C 84 53.514 53.514 54.097 -0.583 26047 6190 1 13 . 1 1 84 84 ALA CB C 84 19.318 19.318 18.157 1.161 26047 6191 1 13 . 1 1 85 85 THR N N 85 109.341 109.341 113.425 -4.084 26047 6192 1 13 . 1 1 85 85 THR HA H 85 4.038 4.038 4.184 -0.146 26047 6193 1 13 . 1 1 85 85 THR C C 85 177.149 177.149 174.846 2.303 26047 6194 1 13 . 1 1 85 85 THR CA C 85 64.040 64.040 62.145 1.895 26047 6195 1 13 . 1 1 85 85 THR CB C 85 69.466 69.466 69.790 -0.324 26047 6196 1 13 . 1 1 85 85 THR H H 85 7.927 7.927 7.983 -0.056 26047 6197 1 13 . 1 1 86 86 GLY N N 86 106.961 106.961 108.399 -1.438 26047 6198 1 13 . 1 1 86 86 GLY C C 86 171.567 171.567 173.080 -1.513 26047 6199 1 13 . 1 1 86 86 GLY CA C 86 45.151 45.151 44.591 0.560 26047 6200 1 13 . 1 1 86 86 GLY H H 86 7.341 7.341 7.775 -0.434 26047 6201 1 13 . 1 1 87 87 HIS N N 87 121.870 121.870 120.488 1.382 26047 6202 1 13 . 1 1 87 87 HIS HA H 87 4.967 4.967 4.624 0.343 26047 6203 1 13 . 1 1 87 87 HIS C C 87 172.750 172.750 173.668 -0.918 26047 6204 1 13 . 1 1 87 87 HIS CA C 87 53.029 53.029 52.470 0.559 26047 6205 1 13 . 1 1 87 87 HIS CB C 87 32.349 32.349 30.403 1.946 26047 6206 1 13 . 1 1 87 87 HIS H H 87 8.799 8.799 7.792 1.007 26047 6207 1 13 . 1 1 88 88 PRO HA H 88 4.132 4.132 4.257 -0.125 26047 6208 1 13 . 1 1 88 88 PRO C C 88 176.585 176.585 177.365 -0.780 26047 6209 1 13 . 1 1 88 88 PRO CA C 88 65.123 65.123 63.728 1.395 26047 6210 1 13 . 1 1 88 88 PRO CB C 88 31.851 31.851 31.618 0.233 26047 6211 1 13 . 1 1 89 89 GLY N N 89 113.445 113.445 112.986 0.459 26047 6212 1 13 . 1 1 89 89 GLY C C 89 174.030 174.030 174.666 -0.636 26047 6213 1 13 . 1 1 89 89 GLY CA C 89 45.251 45.251 45.126 0.125 26047 6214 1 13 . 1 1 89 89 GLY H H 89 8.571 8.571 8.663 -0.092 26047 6215 1 13 . 1 1 90 90 ILE N N 90 118.128 118.128 121.163 -3.035 26047 6216 1 13 . 1 1 90 90 ILE HA H 90 4.252 4.252 4.224 0.028 26047 6217 1 13 . 1 1 90 90 ILE C C 90 174.403 174.403 175.981 -1.578 26047 6218 1 13 . 1 1 90 90 ILE CA C 90 62.855 62.855 62.519 0.336 26047 6219 1 13 . 1 1 90 90 ILE CB C 90 41.565 41.565 39.167 2.398 26047 6220 1 13 . 1 1 90 90 ILE H H 90 8.103 8.103 7.594 0.509 26047 6221 1 13 . 1 1 91 91 ILE N N 91 119.444 119.444 120.304 -0.860 26047 6222 1 13 . 1 1 91 91 ILE HA H 91 4.506 4.506 4.365 0.141 26047 6223 1 13 . 1 1 91 91 ILE C C 91 174.345 174.345 173.835 0.510 26047 6224 1 13 . 1 1 91 91 ILE CA C 91 56.335 56.335 56.826 -0.491 26047 6225 1 13 . 1 1 91 91 ILE CB C 91 40.719 40.719 36.860 3.859 26047 6226 1 13 . 1 1 91 91 ILE H H 91 8.241 8.241 7.616 0.625 26047 6227 1 13 . 1 1 92 92 PRO HA H 92 4.717 4.717 4.657 0.060 26047 6228 1 13 . 1 1 92 92 PRO CB C 92 31.011 31.011 31.210 -0.199 26047 6229 1 13 . 1 1 93 93 PRO HA H 93 3.617 3.617 4.408 -0.791 26047 6230 1 13 . 1 1 93 93 PRO C C 93 175.714 175.714 176.519 -0.805 26047 6231 1 13 . 1 1 93 93 PRO CA C 93 63.618 63.618 63.282 0.336 26047 6232 1 13 . 1 1 93 93 PRO CB C 93 33.171 33.171 32.400 0.771 26047 6233 1 13 . 1 1 94 94 HIS N N 94 115.851 115.851 114.643 1.208 26047 6234 1 13 . 1 1 94 94 HIS HA H 94 3.804 3.804 4.214 -0.410 26047 6235 1 13 . 1 1 94 94 HIS C C 94 173.821 173.821 173.981 -0.160 26047 6236 1 13 . 1 1 94 94 HIS CA C 94 57.145 57.145 57.370 -0.225 26047 6237 1 13 . 1 1 94 94 HIS CB C 94 27.977 27.977 28.364 -0.387 26047 6238 1 13 . 1 1 94 94 HIS H H 94 7.934 7.934 8.256 -0.322 26047 6239 1 13 . 1 1 95 95 ALA N N 95 122.072 122.072 120.807 1.265 26047 6240 1 13 . 1 1 95 95 ALA HA H 95 4.459 4.459 4.677 -0.218 26047 6241 1 13 . 1 1 95 95 ALA C C 95 177.246 177.246 175.750 1.496 26047 6242 1 13 . 1 1 95 95 ALA CA C 95 52.728 52.728 50.849 1.879 26047 6243 1 13 . 1 1 95 95 ALA CB C 95 20.567 20.567 21.598 -1.031 26047 6244 1 13 . 1 1 95 95 ALA H H 95 7.706 7.706 7.677 0.029 26047 6245 1 13 . 1 1 96 96 THR N N 96 122.875 122.875 120.412 2.463 26047 6246 1 13 . 1 1 96 96 THR HA H 96 4.650 4.650 4.441 0.209 26047 6247 1 13 . 1 1 96 96 THR C C 96 173.818 173.818 173.888 -0.070 26047 6248 1 13 . 1 1 96 96 THR CA C 96 63.778 63.778 63.360 0.418 26047 6249 1 13 . 1 1 96 96 THR CB C 96 69.588 69.588 69.730 -0.142 26047 6250 1 13 . 1 1 96 96 THR H H 96 8.448 8.448 8.244 0.204 26047 6251 1 13 . 1 1 97 97 LEU N N 97 124.809 124.809 125.789 -0.980 26047 6252 1 13 . 1 1 97 97 LEU HA H 97 5.110 5.110 4.743 0.367 26047 6253 1 13 . 1 1 97 97 LEU C C 97 175.041 175.041 175.619 -0.578 26047 6254 1 13 . 1 1 97 97 LEU CA C 97 52.832 52.832 53.896 -1.064 26047 6255 1 13 . 1 1 97 97 LEU CB C 97 46.391 46.391 45.073 1.318 26047 6256 1 13 . 1 1 97 97 LEU H H 97 8.725 8.725 9.180 -0.455 26047 6257 1 13 . 1 1 98 98 VAL N N 98 121.081 121.081 118.930 2.151 26047 6258 1 13 . 1 1 98 98 VAL HA H 98 5.215 5.215 4.523 0.692 26047 6259 1 13 . 1 1 98 98 VAL C C 98 175.150 175.150 174.572 0.578 26047 6260 1 13 . 1 1 98 98 VAL CA C 98 60.662 60.662 61.684 -1.022 26047 6261 1 13 . 1 1 98 98 VAL CB C 98 34.355 34.355 33.589 0.766 26047 6262 1 13 . 1 1 98 98 VAL H H 98 8.692 8.692 8.584 0.108 26047 6263 1 13 . 1 1 99 99 PHE N N 99 123.638 123.638 127.013 -3.375 26047 6264 1 13 . 1 1 99 99 PHE HA H 99 5.754 5.754 5.586 0.168 26047 6265 1 13 . 1 1 99 99 PHE C C 99 174.328 174.328 174.311 0.017 26047 6266 1 13 . 1 1 99 99 PHE CA C 99 55.196 55.196 56.168 -0.972 26047 6267 1 13 . 1 1 99 99 PHE CB C 99 43.396 43.396 43.089 0.307 26047 6268 1 13 . 1 1 99 99 PHE H H 99 9.724 9.724 9.338 0.386 26047 6269 1 13 . 1 1 100 100 ASP N N 100 124.358 124.358 124.143 0.215 26047 6270 1 13 . 1 1 100 100 ASP HA H 100 5.164 5.164 5.049 0.115 26047 6271 1 13 . 1 1 100 100 ASP C C 100 176.946 176.946 175.474 1.472 26047 6272 1 13 . 1 1 100 100 ASP CA C 100 52.778 52.778 53.304 -0.526 26047 6273 1 13 . 1 1 100 100 ASP CB C 100 42.320 42.320 43.233 -0.913 26047 6274 1 13 . 1 1 100 100 ASP H H 100 8.775 8.775 8.587 0.188 26047 6275 1 13 . 1 1 101 101 VAL N N 101 126.428 126.428 120.443 5.985 26047 6276 1 13 . 1 1 101 101 VAL HA H 101 5.057 5.057 5.407 -0.350 26047 6277 1 13 . 1 1 101 101 VAL C C 101 172.620 172.620 173.986 -1.366 26047 6278 1 13 . 1 1 101 101 VAL CA C 101 61.041 61.041 59.292 1.749 26047 6279 1 13 . 1 1 101 101 VAL CB C 101 35.481 35.481 34.891 0.590 26047 6280 1 13 . 1 1 101 101 VAL H H 101 9.513 9.513 7.714 1.799 26047 6281 1 13 . 1 1 102 102 GLU N N 102 128.393 128.393 121.339 7.054 26047 6282 1 13 . 1 1 102 102 GLU HA H 102 5.392 5.392 4.924 0.468 26047 6283 1 13 . 1 1 102 102 GLU C C 102 175.174 175.174 175.140 0.034 26047 6284 1 13 . 1 1 102 102 GLU CA C 102 53.979 53.979 53.801 0.178 26047 6285 1 13 . 1 1 102 102 GLU CB C 102 33.852 33.852 32.762 1.090 26047 6286 1 13 . 1 1 102 102 GLU H H 102 9.285 9.285 8.190 1.095 26047 6287 1 13 . 1 1 103 103 LEU N N 103 128.290 128.290 125.743 2.547 26047 6288 1 13 . 1 1 103 103 LEU HA H 103 4.671 4.671 4.327 0.344 26047 6289 1 13 . 1 1 103 103 LEU C C 103 174.266 174.266 175.848 -1.582 26047 6290 1 13 . 1 1 103 103 LEU CA C 103 54.356 54.356 54.688 -0.332 26047 6291 1 13 . 1 1 103 103 LEU CB C 103 41.465 41.465 40.511 0.954 26047 6292 1 13 . 1 1 103 103 LEU H H 103 8.613 8.613 8.755 -0.142 26047 6293 1 14 . 1 1 -2 -2 PRO HA H -2 4.485 4.485 4.532 -0.047 26047 6294 1 14 . 1 1 -2 -2 PRO C C -2 176.570 176.570 177.010 -0.440 26047 6295 1 14 . 1 1 -2 -2 PRO CA C -2 63.243 63.243 62.817 0.426 26047 6296 1 14 . 1 1 -2 -2 PRO CB C -2 32.290 32.290 32.142 0.147 26047 6297 1 14 . 1 1 -1 -1 SER N N -1 116.659 116.659 114.575 2.084 26047 6298 1 14 . 1 1 -1 -1 SER HA H -1 4.422 4.422 4.366 0.056 26047 6299 1 14 . 1 1 -1 -1 SER C C -1 174.384 174.384 174.569 -0.185 26047 6300 1 14 . 1 1 -1 -1 SER CA C -1 58.230 58.230 58.686 -0.456 26047 6301 1 14 . 1 1 -1 -1 SER CB C -1 63.838 63.838 63.677 0.161 26047 6302 1 14 . 1 1 -1 -1 SER H H -1 8.542 8.542 8.107 0.435 26047 6303 1 14 . 1 1 0 0 MET N N 0 122.115 122.115 123.506 -1.391 26047 6304 1 14 . 1 1 0 0 MET HA H 0 4.441 4.441 4.587 -0.146 26047 6305 1 14 . 1 1 0 0 MET C C 0 176.182 176.182 177.005 -0.823 26047 6306 1 14 . 1 1 0 0 MET CA C 0 55.346 55.346 56.431 -1.085 26047 6307 1 14 . 1 1 0 0 MET CB C 0 33.248 33.248 33.041 0.207 26047 6308 1 14 . 1 1 0 0 MET H H 0 8.356 8.356 8.348 0.008 26047 6309 1 14 . 1 1 1 1 GLY N N 1 110.724 110.724 104.737 5.987 26047 6310 1 14 . 1 1 1 1 GLY C C 1 172.468 172.468 172.779 -0.311 26047 6311 1 14 . 1 1 1 1 GLY CA C 1 45.585 45.585 44.815 0.770 26047 6312 1 14 . 1 1 1 1 GLY H H 1 8.157 8.157 8.105 0.052 26047 6313 1 14 . 1 1 2 2 VAL N N 2 117.765 117.765 121.807 -4.042 26047 6314 1 14 . 1 1 2 2 VAL HA H 2 4.889 4.889 4.998 -0.109 26047 6315 1 14 . 1 1 2 2 VAL C C 2 173.396 173.396 174.555 -1.159 26047 6316 1 14 . 1 1 2 2 VAL CA C 2 59.731 59.731 59.810 -0.079 26047 6317 1 14 . 1 1 2 2 VAL CB C 2 34.600 34.600 33.865 0.735 26047 6318 1 14 . 1 1 2 2 VAL H H 2 7.471 7.471 7.235 0.236 26047 6319 1 14 . 1 1 3 3 GLN N N 3 126.962 126.962 128.865 -1.903 26047 6320 1 14 . 1 1 3 3 GLN HA H 3 4.686 4.686 4.642 0.044 26047 6321 1 14 . 1 1 3 3 GLN C C 3 174.658 174.658 174.586 0.072 26047 6322 1 14 . 1 1 3 3 GLN CA C 3 54.379 54.379 54.888 -0.508 26047 6323 1 14 . 1 1 3 3 GLN CB C 3 31.669 31.669 31.366 0.303 26047 6324 1 14 . 1 1 3 3 GLN H H 3 8.514 8.514 8.310 0.204 26047 6325 1 14 . 1 1 4 4 VAL N N 4 125.396 125.396 125.521 -0.125 26047 6326 1 14 . 1 1 4 4 VAL HA H 4 4.520 4.520 4.301 0.219 26047 6327 1 14 . 1 1 4 4 VAL C C 4 175.411 175.411 175.506 -0.095 26047 6328 1 14 . 1 1 4 4 VAL CA C 4 61.993 61.993 61.709 0.284 26047 6329 1 14 . 1 1 4 4 VAL CB C 4 33.355 33.355 32.883 0.472 26047 6330 1 14 . 1 1 4 4 VAL H H 4 8.823 8.823 8.677 0.146 26047 6331 1 14 . 1 1 5 5 GLU N N 5 128.706 128.706 127.788 0.918 26047 6332 1 14 . 1 1 5 5 GLU HA H 5 4.782 4.782 4.645 0.137 26047 6333 1 14 . 1 1 5 5 GLU C C 5 175.830 175.830 175.602 0.228 26047 6334 1 14 . 1 1 5 5 GLU CA C 5 54.451 54.451 54.103 0.348 26047 6335 1 14 . 1 1 5 5 GLU CB C 5 32.818 32.818 30.869 1.949 26047 6336 1 14 . 1 1 5 5 GLU H H 5 9.024 9.024 8.748 0.276 26047 6337 1 14 . 1 1 6 6 THR N N 6 124.408 124.408 119.623 4.785 26047 6338 1 14 . 1 1 6 6 THR HA H 6 3.898 3.898 4.249 -0.351 26047 6339 1 14 . 1 1 6 6 THR C C 6 173.675 173.675 174.240 -0.565 26047 6340 1 14 . 1 1 6 6 THR CA C 6 66.715 66.715 63.263 3.452 26047 6341 1 14 . 1 1 6 6 THR CB C 6 68.934 68.934 69.379 -0.445 26047 6342 1 14 . 1 1 6 6 THR H H 6 9.173 9.173 8.645 0.528 26047 6343 1 14 . 1 1 7 7 ILE N N 7 129.476 129.476 127.466 2.010 26047 6344 1 14 . 1 1 7 7 ILE HA H 7 4.071 4.071 4.289 -0.218 26047 6345 1 14 . 1 1 7 7 ILE C C 7 175.768 175.768 176.214 -0.446 26047 6346 1 14 . 1 1 7 7 ILE CA C 7 63.285 63.285 61.857 1.428 26047 6347 1 14 . 1 1 7 7 ILE CB C 7 39.659 39.659 39.449 0.210 26047 6348 1 14 . 1 1 7 7 ILE H H 7 9.329 9.329 9.022 0.307 26047 6349 1 14 . 1 1 8 8 SER N N 8 114.774 114.774 115.434 -0.660 26047 6350 1 14 . 1 1 8 8 SER HA H 8 4.987 4.987 4.951 0.036 26047 6351 1 14 . 1 1 8 8 SER C C 8 171.895 171.895 172.226 -0.331 26047 6352 1 14 . 1 1 8 8 SER CA C 8 55.577 55.577 54.880 0.697 26047 6353 1 14 . 1 1 8 8 SER CB C 8 64.384 64.384 64.796 -0.412 26047 6354 1 14 . 1 1 8 8 SER H H 8 8.300 8.300 7.981 0.319 26047 6355 1 14 . 1 1 9 9 PRO HA H 9 4.331 4.331 4.601 -0.270 26047 6356 1 14 . 1 1 9 9 PRO C C 9 177.628 177.628 176.702 0.926 26047 6357 1 14 . 1 1 9 9 PRO CA C 9 63.646 63.646 62.467 1.179 26047 6358 1 14 . 1 1 9 9 PRO CB C 9 32.910 32.910 32.798 0.112 26047 6359 1 14 . 1 1 10 10 GLY N N 10 107.910 107.910 112.443 -4.533 26047 6360 1 14 . 1 1 10 10 GLY C C 10 174.203 174.203 174.124 0.079 26047 6361 1 14 . 1 1 10 10 GLY CA C 10 44.176 44.176 45.064 -0.888 26047 6362 1 14 . 1 1 10 10 GLY H H 10 8.464 8.464 8.122 0.342 26047 6363 1 14 . 1 1 11 11 ASP N N 11 118.911 118.911 121.396 -2.485 26047 6364 1 14 . 1 1 11 11 ASP HA H 11 4.289 4.289 4.549 -0.260 26047 6365 1 14 . 1 1 11 11 ASP C C 11 178.317 178.317 177.350 0.967 26047 6366 1 14 . 1 1 11 11 ASP CA C 11 54.629 54.629 55.272 -0.642 26047 6367 1 14 . 1 1 11 11 ASP CB C 11 39.382 39.382 42.096 -2.715 26047 6368 1 14 . 1 1 11 11 ASP H H 11 8.049 8.049 8.057 -0.008 26047 6369 1 14 . 1 1 12 12 GLY N N 12 108.262 108.262 107.404 0.858 26047 6370 1 14 . 1 1 12 12 GLY C C 12 173.279 173.279 174.394 -1.115 26047 6371 1 14 . 1 1 12 12 GLY CA C 12 46.049 46.049 45.882 0.167 26047 6372 1 14 . 1 1 12 12 GLY H H 12 8.719 8.719 8.111 0.608 26047 6373 1 14 . 1 1 13 13 ARG N N 13 117.671 117.671 116.929 0.742 26047 6374 1 14 . 1 1 13 13 ARG HA H 13 4.709 4.709 4.661 0.048 26047 6375 1 14 . 1 1 13 13 ARG C C 13 175.038 175.038 174.827 0.211 26047 6376 1 14 . 1 1 13 13 ARG CA C 13 56.794 56.794 55.719 1.075 26047 6377 1 14 . 1 1 13 13 ARG CB C 13 34.416 34.416 31.573 2.843 26047 6378 1 14 . 1 1 13 13 ARG H H 13 8.539 8.539 8.023 0.516 26047 6379 1 14 . 1 1 14 14 THR N N 14 125.323 125.323 118.160 7.163 26047 6380 1 14 . 1 1 14 14 THR HA H 14 4.205 4.205 4.619 -0.414 26047 6381 1 14 . 1 1 14 14 THR C C 14 172.353 172.353 172.841 -0.488 26047 6382 1 14 . 1 1 14 14 THR CA C 14 62.060 62.060 61.811 0.249 26047 6383 1 14 . 1 1 14 14 THR CB C 14 66.395 66.395 69.001 -2.606 26047 6384 1 14 . 1 1 14 14 THR H H 14 10.197 10.197 7.592 2.605 26047 6385 1 14 . 1 1 15 15 PHE N N 15 124.865 124.865 126.370 -1.505 26047 6386 1 14 . 1 1 15 15 PHE HA H 15 5.232 5.232 5.077 0.155 26047 6387 1 14 . 1 1 15 15 PHE C C 15 174.388 174.388 174.763 -0.375 26047 6388 1 14 . 1 1 15 15 PHE CA C 15 54.495 54.495 55.053 -0.558 26047 6389 1 14 . 1 1 15 15 PHE CB C 15 39.883 39.883 39.425 0.458 26047 6390 1 14 . 1 1 15 15 PHE H H 15 8.086 8.086 8.643 -0.557 26047 6391 1 14 . 1 1 19 19 GLY N N 19 112.901 112.901 114.246 -1.345 26047 6392 1 14 . 1 1 19 19 GLY C C 19 174.204 174.204 173.390 0.814 26047 6393 1 14 . 1 1 19 19 GLY CA C 19 44.943 44.943 45.209 -0.266 26047 6394 1 14 . 1 1 19 19 GLY H H 19 8.682 8.682 8.766 -0.084 26047 6395 1 14 . 1 1 20 20 GLN N N 20 118.698 118.698 119.749 -1.051 26047 6396 1 14 . 1 1 20 20 GLN HA H 20 4.497 4.497 4.897 -0.400 26047 6397 1 14 . 1 1 20 20 GLN C C 20 174.974 174.974 175.475 -0.501 26047 6398 1 14 . 1 1 20 20 GLN CA C 20 56.335 56.335 53.525 2.810 26047 6399 1 14 . 1 1 20 20 GLN CB C 20 30.891 30.891 29.969 0.922 26047 6400 1 14 . 1 1 20 20 GLN H H 20 8.103 8.103 7.863 0.240 26047 6401 1 14 . 1 1 21 21 THR N N 21 119.715 119.715 116.551 3.164 26047 6402 1 14 . 1 1 21 21 THR HA H 21 4.457 4.457 4.715 -0.258 26047 6403 1 14 . 1 1 21 21 THR C C 21 173.797 173.797 174.689 -0.892 26047 6404 1 14 . 1 1 21 21 THR CA C 21 63.067 63.067 62.869 0.198 26047 6405 1 14 . 1 1 21 21 THR CB C 21 68.825 68.825 69.628 -0.803 26047 6406 1 14 . 1 1 21 21 THR H H 21 8.729 8.729 8.117 0.612 26047 6407 1 14 . 1 1 22 22 CYS N N 22 126.008 126.008 125.679 0.329 26047 6408 1 14 . 1 1 22 22 CYS HA H 22 4.269 4.269 4.654 -0.385 26047 6409 1 14 . 1 1 22 22 CYS C C 22 172.458 172.458 173.559 -1.101 26047 6410 1 14 . 1 1 22 22 CYS CA C 22 58.011 58.011 57.705 0.306 26047 6411 1 14 . 1 1 22 22 CYS CB C 22 28.794 28.794 29.464 -0.670 26047 6412 1 14 . 1 1 22 22 CYS H H 22 8.826 8.826 8.509 0.317 26047 6413 1 14 . 1 1 23 23 VAL N N 23 123.456 123.456 128.081 -4.625 26047 6414 1 14 . 1 1 23 23 VAL HA H 23 4.595 4.595 4.290 0.305 26047 6415 1 14 . 1 1 23 23 VAL C C 23 175.899 175.899 175.127 0.772 26047 6416 1 14 . 1 1 23 23 VAL CA C 23 61.411 61.411 62.341 -0.930 26047 6417 1 14 . 1 1 23 23 VAL CB C 23 31.277 31.277 30.865 0.412 26047 6418 1 14 . 1 1 23 23 VAL H H 23 8.063 8.063 8.901 -0.838 26047 6419 1 14 . 1 1 24 24 VAL N N 24 118.126 118.126 119.834 -1.708 26047 6420 1 14 . 1 1 24 24 VAL HA H 24 5.852 5.852 5.036 0.816 26047 6421 1 14 . 1 1 24 24 VAL C C 24 175.589 175.589 174.484 1.105 26047 6422 1 14 . 1 1 24 24 VAL CA C 24 57.962 57.962 59.396 -1.434 26047 6423 1 14 . 1 1 24 24 VAL CB C 24 35.885 35.885 36.151 -0.266 26047 6424 1 14 . 1 1 24 24 VAL H H 24 9.620 9.620 8.857 0.763 26047 6425 1 14 . 1 1 25 25 HIS N N 25 118.824 118.824 123.838 -5.014 26047 6426 1 14 . 1 1 25 25 HIS HA H 25 5.865 5.865 5.142 0.723 26047 6427 1 14 . 1 1 25 25 HIS C C 25 176.663 176.663 174.047 2.616 26047 6428 1 14 . 1 1 25 25 HIS CA C 25 54.463 54.463 55.525 -1.062 26047 6429 1 14 . 1 1 25 25 HIS CB C 25 35.454 35.454 31.852 3.602 26047 6430 1 14 . 1 1 25 25 HIS H H 25 8.579 8.579 8.262 0.317 26047 6431 1 14 . 1 1 26 26 TYR N N 26 118.524 118.524 122.300 -3.776 26047 6432 1 14 . 1 1 26 26 TYR HA H 26 6.441 6.441 5.615 0.826 26047 6433 1 14 . 1 1 26 26 TYR C C 26 173.864 173.864 174.793 -0.929 26047 6434 1 14 . 1 1 26 26 TYR CA C 26 55.934 55.934 55.254 0.680 26047 6435 1 14 . 1 1 26 26 TYR CB C 26 44.380 44.380 40.776 3.604 26047 6436 1 14 . 1 1 26 26 TYR H H 26 9.937 9.937 8.558 1.379 26047 6437 1 14 . 1 1 27 27 THR N N 27 117.098 117.098 115.248 1.850 26047 6438 1 14 . 1 1 27 27 THR HA H 27 4.482 4.482 4.442 0.040 26047 6439 1 14 . 1 1 27 27 THR C C 27 172.648 172.648 173.235 -0.587 26047 6440 1 14 . 1 1 27 27 THR CA C 27 63.163 63.163 61.823 1.340 26047 6441 1 14 . 1 1 27 27 THR CB C 27 72.324 72.324 70.347 1.977 26047 6442 1 14 . 1 1 27 27 THR H H 27 8.716 8.716 8.695 0.021 26047 6443 1 14 . 1 1 28 28 GLY N N 28 115.590 115.590 113.993 1.597 26047 6444 1 14 . 1 1 28 28 GLY C C 28 171.083 171.083 171.219 -0.136 26047 6445 1 14 . 1 1 28 28 GLY CA C 28 45.419 45.419 43.245 2.174 26047 6446 1 14 . 1 1 28 28 GLY H H 28 9.316 9.316 9.181 0.135 26047 6447 1 14 . 1 1 29 29 MET N N 29 125.723 125.723 124.360 1.363 26047 6448 1 14 . 1 1 29 29 MET HA H 29 5.251 5.251 4.561 0.690 26047 6449 1 14 . 1 1 29 29 MET C C 29 175.508 175.508 175.503 0.005 26047 6450 1 14 . 1 1 29 29 MET CA C 29 54.221 54.221 54.092 0.129 26047 6451 1 14 . 1 1 29 29 MET CB C 29 37.913 37.913 36.822 1.091 26047 6452 1 14 . 1 1 29 29 MET H H 29 9.192 9.192 8.760 0.432 26047 6453 1 14 . 1 1 30 30 LEU N N 30 119.150 119.150 123.223 -4.073 26047 6454 1 14 . 1 1 30 30 LEU HA H 30 4.772 4.772 4.256 0.516 26047 6455 1 14 . 1 1 30 30 LEU C C 30 179.278 179.278 178.730 0.548 26047 6456 1 14 . 1 1 30 30 LEU CA C 30 54.169 54.169 55.933 -1.764 26047 6457 1 14 . 1 1 30 30 LEU CB C 30 41.634 41.634 42.622 -0.988 26047 6458 1 14 . 1 1 30 30 LEU H H 30 8.433 8.433 8.777 -0.344 26047 6459 1 14 . 1 1 31 31 GLU N N 31 120.636 120.636 120.818 -0.182 26047 6460 1 14 . 1 1 31 31 GLU HA H 31 3.816 3.816 3.996 -0.180 26047 6461 1 14 . 1 1 31 31 GLU C C 31 176.568 176.568 177.363 -0.795 26047 6462 1 14 . 1 1 31 31 GLU CA C 31 59.788 59.788 59.256 0.532 26047 6463 1 14 . 1 1 31 31 GLU CB C 31 29.883 29.883 29.682 0.201 26047 6464 1 14 . 1 1 31 31 GLU H H 31 9.110 9.110 8.989 0.121 26047 6465 1 14 . 1 1 32 32 ASP N N 32 115.429 115.429 115.338 0.091 26047 6466 1 14 . 1 1 32 32 ASP HA H 32 4.420 4.420 4.683 -0.263 26047 6467 1 14 . 1 1 32 32 ASP C C 32 177.209 177.209 176.293 0.916 26047 6468 1 14 . 1 1 32 32 ASP CA C 32 53.556 53.556 54.294 -0.738 26047 6469 1 14 . 1 1 32 32 ASP CB C 32 40.030 40.030 41.704 -1.674 26047 6470 1 14 . 1 1 32 32 ASP H H 32 7.826 7.826 8.271 -0.445 26047 6471 1 14 . 1 1 37 37 ASP N N 37 118.871 118.871 122.007 -3.136 26047 6472 1 14 . 1 1 37 37 ASP HA H 37 4.827 4.827 4.688 0.139 26047 6473 1 14 . 1 1 37 37 ASP C C 37 174.807 174.807 173.877 0.930 26047 6474 1 14 . 1 1 37 37 ASP CA C 37 54.739 54.739 55.426 -0.687 26047 6475 1 14 . 1 1 37 37 ASP CB C 37 44.386 44.386 43.537 0.849 26047 6476 1 14 . 1 1 37 37 ASP H H 37 6.765 6.765 7.722 -0.957 26047 6477 1 14 . 1 1 38 38 SER N N 38 118.532 118.532 119.395 -0.863 26047 6478 1 14 . 1 1 38 38 SER HA H 38 4.581 4.581 4.763 -0.182 26047 6479 1 14 . 1 1 38 38 SER C C 38 174.967 174.967 174.276 0.691 26047 6480 1 14 . 1 1 38 38 SER CA C 38 57.033 57.033 56.712 0.321 26047 6481 1 14 . 1 1 38 38 SER CB C 38 64.862 64.862 65.386 -0.524 26047 6482 1 14 . 1 1 38 38 SER H H 38 8.196 8.196 8.509 -0.313 26047 6483 1 14 . 1 1 39 39 SER N N 39 124.920 124.920 121.704 3.216 26047 6484 1 14 . 1 1 39 39 SER HA H 39 4.131 4.131 4.310 -0.179 26047 6485 1 14 . 1 1 39 39 SER C C 39 177.101 177.101 176.436 0.665 26047 6486 1 14 . 1 1 39 39 SER CA C 39 61.690 61.690 60.406 1.284 26047 6487 1 14 . 1 1 39 39 SER CB C 39 61.632 61.632 63.007 -1.375 26047 6488 1 14 . 1 1 39 39 SER H H 39 7.872 7.872 8.060 -0.188 26047 6489 1 14 . 1 1 40 40 ARG N N 40 124.309 124.309 119.617 4.692 26047 6490 1 14 . 1 1 40 40 ARG HA H 40 3.607 3.607 4.320 -0.713 26047 6491 1 14 . 1 1 40 40 ARG C C 40 179.844 179.844 178.379 1.465 26047 6492 1 14 . 1 1 40 40 ARG CA C 40 58.859 58.859 58.353 0.506 26047 6493 1 14 . 1 1 40 40 ARG CB C 40 28.763 28.763 29.503 -0.740 26047 6494 1 14 . 1 1 40 40 ARG H H 40 7.617 7.617 7.683 -0.066 26047 6495 1 14 . 1 1 41 41 ASP N N 41 118.394 118.394 121.569 -3.175 26047 6496 1 14 . 1 1 41 41 ASP HA H 41 4.314 4.314 4.503 -0.189 26047 6497 1 14 . 1 1 41 41 ASP C C 41 176.750 176.750 177.165 -0.415 26047 6498 1 14 . 1 1 41 41 ASP CA C 41 56.536 56.536 56.748 -0.212 26047 6499 1 14 . 1 1 41 41 ASP CB C 41 40.095 40.095 40.558 -0.463 26047 6500 1 14 . 1 1 41 41 ASP H H 41 7.079 7.079 8.047 -0.968 26047 6501 1 14 . 1 1 42 42 ARG N N 42 115.037 115.037 117.006 -1.969 26047 6502 1 14 . 1 1 42 42 ARG HA H 42 4.431 4.431 4.422 0.009 26047 6503 1 14 . 1 1 42 42 ARG C C 42 175.430 175.430 175.670 -0.240 26047 6504 1 14 . 1 1 42 42 ARG CA C 42 56.099 56.099 55.771 0.328 26047 6505 1 14 . 1 1 42 42 ARG CB C 42 31.577 31.577 30.595 0.982 26047 6506 1 14 . 1 1 42 42 ARG H H 42 6.859 6.859 7.683 -0.824 26047 6507 1 14 . 1 1 49 49 MET N N 49 123.105 123.105 119.977 3.128 26047 6508 1 14 . 1 1 49 49 MET HA H 49 4.681 4.681 5.099 -0.418 26047 6509 1 14 . 1 1 49 49 MET C C 49 176.492 176.492 175.325 1.167 26047 6510 1 14 . 1 1 49 49 MET CA C 49 54.487 54.487 54.312 0.175 26047 6511 1 14 . 1 1 49 49 MET CB C 49 33.755 33.755 34.679 -0.924 26047 6512 1 14 . 1 1 49 49 MET H H 49 9.261 9.261 8.627 0.634 26047 6513 1 14 . 1 1 50 50 LEU N N 50 131.689 131.689 123.891 7.798 26047 6514 1 14 . 1 1 50 50 LEU HA H 50 4.210 4.210 4.694 -0.484 26047 6515 1 14 . 1 1 50 50 LEU C C 50 177.825 177.825 178.129 -0.304 26047 6516 1 14 . 1 1 50 50 LEU CA C 50 57.249 57.249 54.308 2.941 26047 6517 1 14 . 1 1 50 50 LEU CB C 50 41.752 41.752 41.832 -0.080 26047 6518 1 14 . 1 1 50 50 LEU H H 50 8.633 8.633 7.944 0.689 26047 6519 1 14 . 1 1 54 54 GLU N N 54 117.417 117.417 119.625 -2.208 26047 6520 1 14 . 1 1 54 54 GLU HA H 54 4.220 4.220 4.247 -0.027 26047 6521 1 14 . 1 1 54 54 GLU C C 54 176.221 176.221 176.098 0.123 26047 6522 1 14 . 1 1 54 54 GLU CA C 54 57.447 57.447 57.901 -0.455 26047 6523 1 14 . 1 1 54 54 GLU CB C 54 31.200 31.200 30.494 0.706 26047 6524 1 14 . 1 1 54 54 GLU H H 54 9.389 9.389 8.865 0.524 26047 6525 1 14 . 1 1 55 55 VAL N N 55 108.426 108.426 113.828 -5.402 26047 6526 1 14 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.192 0.122 26047 6527 1 14 . 1 1 55 55 VAL C C 55 175.226 175.226 174.834 0.392 26047 6528 1 14 . 1 1 55 55 VAL CA C 55 57.461 57.461 59.514 -2.053 26047 6529 1 14 . 1 1 55 55 VAL CB C 55 35.557 35.557 33.721 1.835 26047 6530 1 14 . 1 1 55 55 VAL H H 55 6.820 6.820 7.307 -0.487 26047 6531 1 14 . 1 1 56 56 ILE N N 56 111.618 111.618 113.779 -2.161 26047 6532 1 14 . 1 1 56 56 ILE HA H 56 3.853 3.853 4.075 -0.222 26047 6533 1 14 . 1 1 56 56 ILE C C 56 177.344 177.344 176.352 0.992 26047 6534 1 14 . 1 1 56 56 ILE CA C 56 61.975 61.975 60.657 1.319 26047 6535 1 14 . 1 1 56 56 ILE CB C 56 38.342 38.342 38.097 0.245 26047 6536 1 14 . 1 1 56 56 ILE H H 56 7.404 7.404 7.371 0.033 26047 6537 1 14 . 1 1 57 57 ARG N N 57 124.436 124.436 123.431 1.005 26047 6538 1 14 . 1 1 57 57 ARG HA H 57 4.063 4.063 4.035 0.028 26047 6539 1 14 . 1 1 57 57 ARG C C 57 179.428 179.428 178.595 0.833 26047 6540 1 14 . 1 1 57 57 ARG CA C 57 59.838 59.838 59.677 0.161 26047 6541 1 14 . 1 1 57 57 ARG CB C 57 30.630 30.630 30.233 0.397 26047 6542 1 14 . 1 1 57 57 ARG H H 57 8.631 8.631 8.442 0.189 26047 6543 1 14 . 1 1 58 58 GLY N N 58 107.151 107.151 105.024 2.127 26047 6544 1 14 . 1 1 58 58 GLY C C 58 175.210 175.210 175.441 -0.231 26047 6545 1 14 . 1 1 58 58 GLY CA C 58 47.621 47.621 46.673 0.948 26047 6546 1 14 . 1 1 58 58 GLY H H 58 9.688 9.688 7.985 1.703 26047 6547 1 14 . 1 1 59 59 TRP N N 59 119.956 119.956 121.426 -1.470 26047 6548 1 14 . 1 1 59 59 TRP HA H 59 4.227 4.227 4.526 -0.299 26047 6549 1 14 . 1 1 59 59 TRP C C 59 177.529 177.529 178.621 -1.092 26047 6550 1 14 . 1 1 59 59 TRP CA C 59 59.681 59.681 58.676 1.005 26047 6551 1 14 . 1 1 59 59 TRP CB C 59 29.092 29.092 29.394 -0.302 26047 6552 1 14 . 1 1 59 59 TRP H H 59 7.534 7.534 7.474 0.060 26047 6553 1 14 . 1 1 60 60 GLU N N 60 118.374 118.374 118.986 -0.612 26047 6554 1 14 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.197 -0.307 26047 6555 1 14 . 1 1 60 60 GLU C C 60 178.377 178.377 179.333 -0.956 26047 6556 1 14 . 1 1 60 60 GLU CA C 60 61.081 61.081 59.974 1.107 26047 6557 1 14 . 1 1 60 60 GLU CB C 60 29.417 29.417 29.537 -0.120 26047 6558 1 14 . 1 1 60 60 GLU H H 60 7.275 7.275 8.027 -0.752 26047 6559 1 14 . 1 1 61 61 GLU N N 61 113.896 113.896 117.844 -3.948 26047 6560 1 14 . 1 1 61 61 GLU HA H 61 4.149 4.149 4.336 -0.187 26047 6561 1 14 . 1 1 61 61 GLU C C 61 179.320 179.320 178.310 1.010 26047 6562 1 14 . 1 1 61 61 GLU CA C 61 58.633 58.633 57.755 0.878 26047 6563 1 14 . 1 1 61 61 GLU CB C 61 29.872 29.872 29.860 0.012 26047 6564 1 14 . 1 1 61 61 GLU H H 61 8.390 8.390 8.217 0.173 26047 6565 1 14 . 1 1 62 62 GLY N N 62 106.899 106.899 108.282 -1.383 26047 6566 1 14 . 1 1 62 62 GLY C C 62 174.585 174.585 176.204 -1.619 26047 6567 1 14 . 1 1 62 62 GLY CA C 62 47.194 47.194 46.267 0.927 26047 6568 1 14 . 1 1 62 62 GLY H H 62 7.932 7.932 7.714 0.218 26047 6569 1 14 . 1 1 63 63 VAL N N 63 120.730 120.730 122.711 -1.981 26047 6570 1 14 . 1 1 63 63 VAL HA H 63 3.927 3.927 3.869 0.058 26047 6571 1 14 . 1 1 63 63 VAL C C 63 177.334 177.334 177.424 -0.090 26047 6572 1 14 . 1 1 63 63 VAL CA C 63 65.419 65.419 64.177 1.242 26047 6573 1 14 . 1 1 63 63 VAL CB C 63 31.126 31.126 31.634 -0.508 26047 6574 1 14 . 1 1 63 63 VAL H H 63 8.688 8.688 8.535 0.153 26047 6575 1 14 . 1 1 64 64 ALA N N 64 117.132 117.132 120.624 -3.492 26047 6576 1 14 . 1 1 64 64 ALA HA H 64 4.014 4.014 4.317 -0.303 26047 6577 1 14 . 1 1 64 64 ALA C C 64 177.759 177.759 178.174 -0.415 26047 6578 1 14 . 1 1 64 64 ALA CA C 64 54.526 54.526 53.938 0.588 26047 6579 1 14 . 1 1 64 64 ALA CB C 64 18.715 18.715 18.480 0.235 26047 6580 1 14 . 1 1 64 64 ALA H H 64 7.160 7.160 8.051 -0.891 26047 6581 1 14 . 1 1 65 65 GLN N N 65 112.231 112.231 116.270 -4.039 26047 6582 1 14 . 1 1 65 65 GLN HA H 65 4.359 4.359 4.370 -0.011 26047 6583 1 14 . 1 1 65 65 GLN C C 65 175.568 175.568 175.854 -0.286 26047 6584 1 14 . 1 1 65 65 GLN CA C 65 55.459 55.459 56.029 -0.570 26047 6585 1 14 . 1 1 65 65 GLN CB C 65 30.028 30.028 29.519 0.509 26047 6586 1 14 . 1 1 65 65 GLN H H 65 7.143 7.143 7.844 -0.701 26047 6587 1 14 . 1 1 66 66 MET N N 66 122.412 122.412 118.418 3.994 26047 6588 1 14 . 1 1 66 66 MET HA H 66 4.788 4.788 4.799 -0.011 26047 6589 1 14 . 1 1 66 66 MET C C 66 172.467 172.467 174.953 -2.486 26047 6590 1 14 . 1 1 66 66 MET CA C 66 55.118 55.118 54.207 0.911 26047 6591 1 14 . 1 1 66 66 MET CB C 66 35.667 35.667 34.953 0.714 26047 6592 1 14 . 1 1 66 66 MET H H 66 7.965 7.965 7.515 0.450 26047 6593 1 14 . 1 1 67 67 SER N N 67 107.611 107.611 114.170 -6.559 26047 6594 1 14 . 1 1 67 67 SER HA H 67 4.833 4.833 4.460 0.373 26047 6595 1 14 . 1 1 67 67 SER C C 67 176.275 176.275 174.355 1.920 26047 6596 1 14 . 1 1 67 67 SER CA C 67 54.465 54.465 56.046 -1.581 26047 6597 1 14 . 1 1 67 67 SER CB C 67 65.982 65.982 64.911 1.071 26047 6598 1 14 . 1 1 67 67 SER H H 67 8.182 8.182 8.136 0.046 26047 6599 1 14 . 1 1 68 68 VAL N N 68 119.266 119.266 121.006 -1.740 26047 6600 1 14 . 1 1 68 68 VAL HA H 68 3.105 3.105 3.588 -0.483 26047 6601 1 14 . 1 1 68 68 VAL C C 68 176.390 176.390 176.786 -0.396 26047 6602 1 14 . 1 1 68 68 VAL CA C 68 67.074 67.074 64.997 2.077 26047 6603 1 14 . 1 1 68 68 VAL CB C 68 31.503 31.503 30.814 0.690 26047 6604 1 14 . 1 1 68 68 VAL H H 68 7.650 7.650 8.199 -0.549 26047 6605 1 14 . 1 1 69 69 GLY N N 69 116.900 116.900 114.152 2.748 26047 6606 1 14 . 1 1 69 69 GLY C C 69 173.934 173.934 173.769 0.165 26047 6607 1 14 . 1 1 69 69 GLY CA C 69 44.407 44.407 44.973 -0.566 26047 6608 1 14 . 1 1 69 69 GLY H H 69 8.855 8.855 8.652 0.203 26047 6609 1 14 . 1 1 70 70 GLN N N 70 123.210 123.210 120.696 2.514 26047 6610 1 14 . 1 1 70 70 GLN HA H 70 4.035 4.035 4.766 -0.731 26047 6611 1 14 . 1 1 70 70 GLN C C 70 173.663 173.663 174.437 -0.774 26047 6612 1 14 . 1 1 70 70 GLN CA C 70 55.788 55.788 54.783 1.005 26047 6613 1 14 . 1 1 70 70 GLN CB C 70 30.551 30.551 31.394 -0.843 26047 6614 1 14 . 1 1 70 70 GLN H H 70 8.607 8.607 7.933 0.674 26047 6615 1 14 . 1 1 71 71 ARG N N 71 124.586 124.586 126.206 -1.620 26047 6616 1 14 . 1 1 71 71 ARG HA H 71 5.660 5.660 4.835 0.825 26047 6617 1 14 . 1 1 71 71 ARG C C 71 175.582 175.582 173.974 1.608 26047 6618 1 14 . 1 1 71 71 ARG CA C 71 53.936 53.936 54.700 -0.764 26047 6619 1 14 . 1 1 71 71 ARG CB C 71 33.739 33.739 32.553 1.186 26047 6620 1 14 . 1 1 71 71 ARG H H 71 8.802 8.802 8.643 0.159 26047 6621 1 14 . 1 1 75 75 THR N N 75 121.856 121.856 121.387 0.469 26047 6622 1 14 . 1 1 75 75 THR HA H 75 5.052 5.052 4.765 0.287 26047 6623 1 14 . 1 1 75 75 THR C C 75 175.079 175.079 173.575 1.504 26047 6624 1 14 . 1 1 75 75 THR CA C 75 63.355 63.355 62.516 0.839 26047 6625 1 14 . 1 1 75 75 THR CB C 75 68.790 68.790 69.152 -0.362 26047 6626 1 14 . 1 1 75 75 THR H H 75 8.884 8.884 8.856 0.028 26047 6627 1 14 . 1 1 76 76 ILE N N 76 129.859 129.859 128.770 1.089 26047 6628 1 14 . 1 1 76 76 ILE HA H 76 4.680 4.680 4.529 0.151 26047 6629 1 14 . 1 1 76 76 ILE C C 76 173.943 173.943 175.357 -1.414 26047 6630 1 14 . 1 1 76 76 ILE CA C 76 60.898 60.898 58.512 2.386 26047 6631 1 14 . 1 1 76 76 ILE CB C 76 41.236 41.236 39.762 1.474 26047 6632 1 14 . 1 1 76 76 ILE H H 76 9.864 9.864 8.698 1.166 26047 6633 1 14 . 1 1 77 77 SER N N 77 123.243 123.243 120.714 2.529 26047 6634 1 14 . 1 1 77 77 SER HA H 77 4.732 4.732 5.071 -0.339 26047 6635 1 14 . 1 1 77 77 SER C C 77 173.647 173.647 174.048 -0.401 26047 6636 1 14 . 1 1 77 77 SER CA C 77 57.726 57.726 55.099 2.627 26047 6637 1 14 . 1 1 77 77 SER CB C 77 62.763 62.763 63.495 -0.732 26047 6638 1 14 . 1 1 77 77 SER H H 77 8.612 8.612 8.657 -0.045 26047 6639 1 14 . 1 1 78 78 PRO HA H 78 4.488 4.488 4.402 0.086 26047 6640 1 14 . 1 1 78 78 PRO C C 78 180.133 180.133 177.308 2.825 26047 6641 1 14 . 1 1 78 78 PRO CA C 78 65.828 65.828 65.092 0.736 26047 6642 1 14 . 1 1 78 78 PRO CB C 78 30.995 30.995 32.241 -1.246 26047 6643 1 14 . 1 1 79 79 ASP N N 79 115.934 115.934 115.822 0.112 26047 6644 1 14 . 1 1 79 79 ASP HA H 79 4.390 4.390 4.567 -0.177 26047 6645 1 14 . 1 1 79 79 ASP C C 79 176.810 176.810 177.336 -0.526 26047 6646 1 14 . 1 1 79 79 ASP CA C 79 56.159 56.159 56.488 -0.329 26047 6647 1 14 . 1 1 79 79 ASP CB C 79 39.361 39.361 41.097 -1.736 26047 6648 1 14 . 1 1 79 79 ASP H H 79 8.799 8.799 8.725 0.074 26047 6649 1 14 . 1 1 80 80 TYR N N 80 120.969 120.969 118.846 2.123 26047 6650 1 14 . 1 1 80 80 TYR HA H 80 4.377 4.377 4.446 -0.069 26047 6651 1 14 . 1 1 80 80 TYR C C 80 173.332 173.332 176.538 -3.206 26047 6652 1 14 . 1 1 80 80 TYR CA C 80 57.597 57.597 59.736 -2.139 26047 6653 1 14 . 1 1 80 80 TYR CB C 80 38.903 38.903 39.909 -1.006 26047 6654 1 14 . 1 1 80 80 TYR H H 80 8.116 8.116 7.788 0.328 26047 6655 1 14 . 1 1 81 81 ALA N N 81 125.669 125.669 122.823 2.846 26047 6656 1 14 . 1 1 81 81 ALA HA H 81 4.421 4.421 4.004 0.417 26047 6657 1 14 . 1 1 81 81 ALA C C 81 175.888 175.888 177.283 -1.395 26047 6658 1 14 . 1 1 81 81 ALA CA C 81 51.701 51.701 54.543 -2.842 26047 6659 1 14 . 1 1 81 81 ALA CB C 81 19.334 19.334 19.109 0.225 26047 6660 1 14 . 1 1 81 81 ALA H H 81 7.801 7.801 8.380 -0.579 26047 6661 1 14 . 1 1 82 82 TYR N N 82 122.080 122.080 114.863 7.217 26047 6662 1 14 . 1 1 82 82 TYR HA H 82 4.566 4.566 4.592 -0.026 26047 6663 1 14 . 1 1 82 82 TYR C C 82 176.653 176.653 176.516 0.137 26047 6664 1 14 . 1 1 82 82 TYR CA C 82 58.865 58.865 58.485 0.380 26047 6665 1 14 . 1 1 82 82 TYR CB C 82 37.995 37.995 41.714 -3.719 26047 6666 1 14 . 1 1 82 82 TYR H H 82 9.321 9.321 7.618 1.703 26047 6667 1 14 . 1 1 83 83 GLY N N 83 108.394 108.394 106.619 1.775 26047 6668 1 14 . 1 1 83 83 GLY C C 83 175.214 175.214 172.808 2.406 26047 6669 1 14 . 1 1 83 83 GLY CA C 83 46.827 46.827 45.294 1.533 26047 6670 1 14 . 1 1 83 83 GLY H H 83 8.535 8.535 7.919 0.616 26047 6671 1 14 . 1 1 84 84 ALA HA H 84 3.273 3.273 4.239 -0.966 26047 6672 1 14 . 1 1 84 84 ALA C C 84 177.536 177.536 177.768 -0.232 26047 6673 1 14 . 1 1 84 84 ALA CA C 84 53.514 53.514 53.750 -0.236 26047 6674 1 14 . 1 1 84 84 ALA CB C 84 19.318 19.318 19.118 0.200 26047 6675 1 14 . 1 1 85 85 THR N N 85 109.341 109.341 113.326 -3.985 26047 6676 1 14 . 1 1 85 85 THR HA H 85 4.038 4.038 4.214 -0.176 26047 6677 1 14 . 1 1 85 85 THR C C 85 177.149 177.149 175.224 1.925 26047 6678 1 14 . 1 1 85 85 THR CA C 85 64.040 64.040 62.269 1.771 26047 6679 1 14 . 1 1 85 85 THR CB C 85 69.466 69.466 69.523 -0.057 26047 6680 1 14 . 1 1 85 85 THR H H 85 7.927 7.927 7.916 0.011 26047 6681 1 14 . 1 1 86 86 GLY N N 86 106.961 106.961 108.785 -1.824 26047 6682 1 14 . 1 1 86 86 GLY C C 86 171.567 171.567 173.056 -1.489 26047 6683 1 14 . 1 1 86 86 GLY CA C 86 45.151 45.151 44.556 0.596 26047 6684 1 14 . 1 1 86 86 GLY H H 86 7.341 7.341 7.646 -0.305 26047 6685 1 14 . 1 1 87 87 HIS N N 87 121.870 121.870 120.354 1.516 26047 6686 1 14 . 1 1 87 87 HIS HA H 87 4.967 4.967 4.661 0.306 26047 6687 1 14 . 1 1 87 87 HIS C C 87 172.750 172.750 173.664 -0.914 26047 6688 1 14 . 1 1 87 87 HIS CA C 87 53.029 53.029 52.644 0.385 26047 6689 1 14 . 1 1 87 87 HIS CB C 87 32.349 32.349 30.648 1.701 26047 6690 1 14 . 1 1 87 87 HIS H H 87 8.799 8.799 8.036 0.763 26047 6691 1 14 . 1 1 88 88 PRO HA H 88 4.132 4.132 4.299 -0.167 26047 6692 1 14 . 1 1 88 88 PRO C C 88 176.585 176.585 177.409 -0.824 26047 6693 1 14 . 1 1 88 88 PRO CA C 88 65.123 65.123 63.670 1.453 26047 6694 1 14 . 1 1 88 88 PRO CB C 88 31.851 31.851 31.718 0.133 26047 6695 1 14 . 1 1 89 89 GLY N N 89 113.445 113.445 113.252 0.193 26047 6696 1 14 . 1 1 89 89 GLY C C 89 174.030 174.030 174.715 -0.685 26047 6697 1 14 . 1 1 89 89 GLY CA C 89 45.251 45.251 45.134 0.117 26047 6698 1 14 . 1 1 89 89 GLY H H 89 8.571 8.571 8.696 -0.125 26047 6699 1 14 . 1 1 90 90 ILE N N 90 118.128 118.128 121.128 -3.000 26047 6700 1 14 . 1 1 90 90 ILE HA H 90 4.252 4.252 4.218 0.034 26047 6701 1 14 . 1 1 90 90 ILE C C 90 174.403 174.403 175.911 -1.508 26047 6702 1 14 . 1 1 90 90 ILE CA C 90 62.855 62.855 62.528 0.327 26047 6703 1 14 . 1 1 90 90 ILE CB C 90 41.565 41.565 39.038 2.527 26047 6704 1 14 . 1 1 90 90 ILE H H 90 8.103 8.103 7.628 0.475 26047 6705 1 14 . 1 1 91 91 ILE N N 91 119.444 119.444 120.409 -0.965 26047 6706 1 14 . 1 1 91 91 ILE HA H 91 4.506 4.506 4.332 0.174 26047 6707 1 14 . 1 1 91 91 ILE C C 91 174.345 174.345 173.823 0.522 26047 6708 1 14 . 1 1 91 91 ILE CA C 91 56.335 56.335 56.997 -0.662 26047 6709 1 14 . 1 1 91 91 ILE CB C 91 40.719 40.719 36.702 4.017 26047 6710 1 14 . 1 1 91 91 ILE H H 91 8.241 8.241 7.539 0.702 26047 6711 1 14 . 1 1 92 92 PRO HA H 92 4.717 4.717 4.690 0.027 26047 6712 1 14 . 1 1 92 92 PRO CB C 92 31.011 31.011 31.379 -0.368 26047 6713 1 14 . 1 1 93 93 PRO HA H 93 3.617 3.617 4.303 -0.686 26047 6714 1 14 . 1 1 93 93 PRO C C 93 175.714 175.714 176.976 -1.262 26047 6715 1 14 . 1 1 93 93 PRO CA C 93 63.618 63.618 63.093 0.525 26047 6716 1 14 . 1 1 93 93 PRO CB C 93 33.171 33.171 32.378 0.793 26047 6717 1 14 . 1 1 94 94 HIS N N 94 115.851 115.851 116.622 -0.771 26047 6718 1 14 . 1 1 94 94 HIS HA H 94 3.804 3.804 4.164 -0.360 26047 6719 1 14 . 1 1 94 94 HIS C C 94 173.821 173.821 173.744 0.077 26047 6720 1 14 . 1 1 94 94 HIS CA C 94 57.145 57.145 57.541 -0.396 26047 6721 1 14 . 1 1 94 94 HIS CB C 94 27.977 27.977 27.718 0.259 26047 6722 1 14 . 1 1 94 94 HIS H H 94 7.934 7.934 8.516 -0.582 26047 6723 1 14 . 1 1 95 95 ALA N N 95 122.072 122.072 120.984 1.088 26047 6724 1 14 . 1 1 95 95 ALA HA H 95 4.459 4.459 4.629 -0.170 26047 6725 1 14 . 1 1 95 95 ALA C C 95 177.246 177.246 175.699 1.547 26047 6726 1 14 . 1 1 95 95 ALA CA C 95 52.728 52.728 50.956 1.772 26047 6727 1 14 . 1 1 95 95 ALA CB C 95 20.567 20.567 21.841 -1.274 26047 6728 1 14 . 1 1 95 95 ALA H H 95 7.706 7.706 7.764 -0.058 26047 6729 1 14 . 1 1 96 96 THR N N 96 122.875 122.875 118.785 4.090 26047 6730 1 14 . 1 1 96 96 THR HA H 96 4.650 4.650 4.532 0.118 26047 6731 1 14 . 1 1 96 96 THR C C 96 173.818 173.818 173.744 0.074 26047 6732 1 14 . 1 1 96 96 THR CA C 96 63.778 63.778 63.109 0.669 26047 6733 1 14 . 1 1 96 96 THR CB C 96 69.588 69.588 69.743 -0.155 26047 6734 1 14 . 1 1 96 96 THR H H 96 8.448 8.448 8.246 0.202 26047 6735 1 14 . 1 1 97 97 LEU N N 97 124.809 124.809 124.935 -0.126 26047 6736 1 14 . 1 1 97 97 LEU HA H 97 5.110 5.110 4.660 0.450 26047 6737 1 14 . 1 1 97 97 LEU C C 97 175.041 175.041 175.268 -0.227 26047 6738 1 14 . 1 1 97 97 LEU CA C 97 52.832 52.832 54.048 -1.216 26047 6739 1 14 . 1 1 97 97 LEU CB C 97 46.391 46.391 45.246 1.145 26047 6740 1 14 . 1 1 97 97 LEU H H 97 8.725 8.725 9.033 -0.308 26047 6741 1 14 . 1 1 98 98 VAL N N 98 121.081 121.081 119.130 1.951 26047 6742 1 14 . 1 1 98 98 VAL HA H 98 5.215 5.215 4.506 0.709 26047 6743 1 14 . 1 1 98 98 VAL C C 98 175.150 175.150 174.414 0.736 26047 6744 1 14 . 1 1 98 98 VAL CA C 98 60.662 60.662 61.614 -0.952 26047 6745 1 14 . 1 1 98 98 VAL CB C 98 34.355 34.355 33.740 0.615 26047 6746 1 14 . 1 1 98 98 VAL H H 98 8.692 8.692 8.710 -0.018 26047 6747 1 14 . 1 1 99 99 PHE N N 99 123.638 123.638 126.167 -2.529 26047 6748 1 14 . 1 1 99 99 PHE HA H 99 5.754 5.754 5.706 0.048 26047 6749 1 14 . 1 1 99 99 PHE C C 99 174.328 174.328 174.203 0.125 26047 6750 1 14 . 1 1 99 99 PHE CA C 99 55.196 55.196 56.405 -1.209 26047 6751 1 14 . 1 1 99 99 PHE CB C 99 43.396 43.396 43.745 -0.349 26047 6752 1 14 . 1 1 99 99 PHE H H 99 9.724 9.724 9.250 0.474 26047 6753 1 14 . 1 1 100 100 ASP N N 100 124.358 124.358 124.438 -0.080 26047 6754 1 14 . 1 1 100 100 ASP HA H 100 5.164 5.164 5.055 0.109 26047 6755 1 14 . 1 1 100 100 ASP C C 100 176.946 176.946 175.375 1.571 26047 6756 1 14 . 1 1 100 100 ASP CA C 100 52.778 52.778 53.373 -0.595 26047 6757 1 14 . 1 1 100 100 ASP CB C 100 42.320 42.320 43.319 -0.999 26047 6758 1 14 . 1 1 100 100 ASP H H 100 8.775 8.775 8.557 0.218 26047 6759 1 14 . 1 1 101 101 VAL N N 101 126.428 126.428 120.420 6.008 26047 6760 1 14 . 1 1 101 101 VAL HA H 101 5.057 5.057 5.424 -0.367 26047 6761 1 14 . 1 1 101 101 VAL C C 101 172.620 172.620 173.973 -1.353 26047 6762 1 14 . 1 1 101 101 VAL CA C 101 61.041 61.041 59.219 1.822 26047 6763 1 14 . 1 1 101 101 VAL CB C 101 35.481 35.481 35.020 0.461 26047 6764 1 14 . 1 1 101 101 VAL H H 101 9.513 9.513 7.713 1.800 26047 6765 1 14 . 1 1 102 102 GLU N N 102 128.393 128.393 121.164 7.229 26047 6766 1 14 . 1 1 102 102 GLU HA H 102 5.392 5.392 4.902 0.490 26047 6767 1 14 . 1 1 102 102 GLU C C 102 175.174 175.174 175.079 0.095 26047 6768 1 14 . 1 1 102 102 GLU CA C 102 53.979 53.979 53.846 0.133 26047 6769 1 14 . 1 1 102 102 GLU CB C 102 33.852 33.852 32.837 1.015 26047 6770 1 14 . 1 1 102 102 GLU H H 102 9.285 9.285 8.187 1.098 26047 6771 1 14 . 1 1 103 103 LEU N N 103 128.290 128.290 125.726 2.564 26047 6772 1 14 . 1 1 103 103 LEU HA H 103 4.671 4.671 4.319 0.352 26047 6773 1 14 . 1 1 103 103 LEU C C 103 174.266 174.266 175.851 -1.585 26047 6774 1 14 . 1 1 103 103 LEU CA C 103 54.356 54.356 54.688 -0.332 26047 6775 1 14 . 1 1 103 103 LEU CB C 103 41.465 41.465 40.515 0.950 26047 6776 1 14 . 1 1 103 103 LEU H H 103 8.613 8.613 8.786 -0.173 26047 6777 1 15 . 1 1 -2 -2 PRO HA H -2 4.485 4.485 4.888 -0.403 26047 6778 1 15 . 1 1 -2 -2 PRO C C -2 176.570 176.570 176.602 -0.032 26047 6779 1 15 . 1 1 -2 -2 PRO CA C -2 63.243 63.243 62.656 0.587 26047 6780 1 15 . 1 1 -2 -2 PRO CB C -2 32.290 32.290 32.903 -0.613 26047 6781 1 15 . 1 1 -1 -1 SER N N -1 116.659 116.659 117.588 -0.929 26047 6782 1 15 . 1 1 -1 -1 SER HA H -1 4.422 4.422 4.429 -0.007 26047 6783 1 15 . 1 1 -1 -1 SER C C -1 174.384 174.384 174.916 -0.532 26047 6784 1 15 . 1 1 -1 -1 SER CA C -1 58.230 58.230 58.901 -0.671 26047 6785 1 15 . 1 1 -1 -1 SER CB C -1 63.838 63.838 63.524 0.314 26047 6786 1 15 . 1 1 -1 -1 SER H H -1 8.542 8.542 8.710 -0.168 26047 6787 1 15 . 1 1 0 0 MET N N 0 122.115 122.115 120.616 1.499 26047 6788 1 15 . 1 1 0 0 MET HA H 0 4.441 4.441 4.646 -0.204 26047 6789 1 15 . 1 1 0 0 MET C C 0 176.182 176.182 176.117 0.065 26047 6790 1 15 . 1 1 0 0 MET CA C 0 55.346 55.346 56.001 -0.655 26047 6791 1 15 . 1 1 0 0 MET CB C 0 33.248 33.248 34.189 -0.941 26047 6792 1 15 . 1 1 0 0 MET H H 0 8.356 8.356 7.657 0.699 26047 6793 1 15 . 1 1 1 1 GLY N N 1 110.724 110.724 106.559 4.165 26047 6794 1 15 . 1 1 1 1 GLY C C 1 172.468 172.468 172.462 0.006 26047 6795 1 15 . 1 1 1 1 GLY CA C 1 45.585 45.585 44.593 0.992 26047 6796 1 15 . 1 1 1 1 GLY H H 1 8.157 8.157 8.388 -0.231 26047 6797 1 15 . 1 1 2 2 VAL N N 2 117.765 117.765 122.271 -4.506 26047 6798 1 15 . 1 1 2 2 VAL HA H 2 4.889 4.889 5.099 -0.210 26047 6799 1 15 . 1 1 2 2 VAL C C 2 173.396 173.396 174.236 -0.840 26047 6800 1 15 . 1 1 2 2 VAL CA C 2 59.731 59.731 59.375 0.356 26047 6801 1 15 . 1 1 2 2 VAL CB C 2 34.600 34.600 33.431 1.169 26047 6802 1 15 . 1 1 2 2 VAL H H 2 7.471 7.471 7.307 0.164 26047 6803 1 15 . 1 1 3 3 GLN N N 3 126.962 126.962 128.336 -1.374 26047 6804 1 15 . 1 1 3 3 GLN HA H 3 4.686 4.686 4.666 0.020 26047 6805 1 15 . 1 1 3 3 GLN C C 3 174.658 174.658 174.782 -0.124 26047 6806 1 15 . 1 1 3 3 GLN CA C 3 54.379 54.379 54.902 -0.523 26047 6807 1 15 . 1 1 3 3 GLN CB C 3 31.669 31.669 31.423 0.246 26047 6808 1 15 . 1 1 3 3 GLN H H 3 8.514 8.514 8.193 0.321 26047 6809 1 15 . 1 1 4 4 VAL N N 4 125.396 125.396 125.735 -0.339 26047 6810 1 15 . 1 1 4 4 VAL HA H 4 4.520 4.520 4.308 0.212 26047 6811 1 15 . 1 1 4 4 VAL C C 4 175.411 175.411 175.345 0.066 26047 6812 1 15 . 1 1 4 4 VAL CA C 4 61.993 61.993 61.919 0.074 26047 6813 1 15 . 1 1 4 4 VAL CB C 4 33.355 33.355 32.843 0.512 26047 6814 1 15 . 1 1 4 4 VAL H H 4 8.823 8.823 8.687 0.136 26047 6815 1 15 . 1 1 5 5 GLU N N 5 128.706 128.706 128.168 0.538 26047 6816 1 15 . 1 1 5 5 GLU HA H 5 4.782 4.782 4.638 0.144 26047 6817 1 15 . 1 1 5 5 GLU C C 5 175.830 175.830 175.540 0.290 26047 6818 1 15 . 1 1 5 5 GLU CA C 5 54.451 54.451 54.556 -0.105 26047 6819 1 15 . 1 1 5 5 GLU CB C 5 32.818 32.818 31.536 1.282 26047 6820 1 15 . 1 1 5 5 GLU H H 5 9.024 9.024 8.684 0.340 26047 6821 1 15 . 1 1 6 6 THR N N 6 124.408 124.408 120.215 4.193 26047 6822 1 15 . 1 1 6 6 THR HA H 6 3.898 3.898 4.238 -0.340 26047 6823 1 15 . 1 1 6 6 THR C C 6 173.675 173.675 174.163 -0.488 26047 6824 1 15 . 1 1 6 6 THR CA C 6 66.715 66.715 63.773 2.942 26047 6825 1 15 . 1 1 6 6 THR CB C 6 68.934 68.934 69.138 -0.204 26047 6826 1 15 . 1 1 6 6 THR H H 6 9.173 9.173 8.690 0.483 26047 6827 1 15 . 1 1 7 7 ILE N N 7 129.476 129.476 127.026 2.450 26047 6828 1 15 . 1 1 7 7 ILE HA H 7 4.071 4.071 4.327 -0.256 26047 6829 1 15 . 1 1 7 7 ILE C C 7 175.768 175.768 176.497 -0.729 26047 6830 1 15 . 1 1 7 7 ILE CA C 7 63.285 63.285 62.058 1.227 26047 6831 1 15 . 1 1 7 7 ILE CB C 7 39.659 39.659 39.439 0.220 26047 6832 1 15 . 1 1 7 7 ILE H H 7 9.329 9.329 9.050 0.279 26047 6833 1 15 . 1 1 8 8 SER N N 8 114.774 114.774 115.746 -0.972 26047 6834 1 15 . 1 1 8 8 SER HA H 8 4.987 4.987 4.956 0.031 26047 6835 1 15 . 1 1 8 8 SER C C 8 171.895 171.895 172.201 -0.306 26047 6836 1 15 . 1 1 8 8 SER CA C 8 55.577 55.577 55.026 0.551 26047 6837 1 15 . 1 1 8 8 SER CB C 8 64.384 64.384 64.797 -0.413 26047 6838 1 15 . 1 1 8 8 SER H H 8 8.300 8.300 8.067 0.233 26047 6839 1 15 . 1 1 9 9 PRO HA H 9 4.331 4.331 4.606 -0.275 26047 6840 1 15 . 1 1 9 9 PRO C C 9 177.628 177.628 176.560 1.068 26047 6841 1 15 . 1 1 9 9 PRO CA C 9 63.646 63.646 62.564 1.082 26047 6842 1 15 . 1 1 9 9 PRO CB C 9 32.910 32.910 32.307 0.603 26047 6843 1 15 . 1 1 10 10 GLY N N 10 107.910 107.910 112.327 -4.417 26047 6844 1 15 . 1 1 10 10 GLY C C 10 174.203 174.203 174.114 0.089 26047 6845 1 15 . 1 1 10 10 GLY CA C 10 44.176 44.176 45.047 -0.871 26047 6846 1 15 . 1 1 10 10 GLY H H 10 8.464 8.464 8.126 0.338 26047 6847 1 15 . 1 1 11 11 ASP N N 11 118.911 118.911 121.391 -2.480 26047 6848 1 15 . 1 1 11 11 ASP HA H 11 4.289 4.289 4.551 -0.262 26047 6849 1 15 . 1 1 11 11 ASP C C 11 178.317 178.317 177.343 0.974 26047 6850 1 15 . 1 1 11 11 ASP CA C 11 54.629 54.629 55.267 -0.638 26047 6851 1 15 . 1 1 11 11 ASP CB C 11 39.382 39.382 42.108 -2.725 26047 6852 1 15 . 1 1 11 11 ASP H H 11 8.049 8.049 8.048 0.001 26047 6853 1 15 . 1 1 12 12 GLY N N 12 108.262 108.262 107.409 0.853 26047 6854 1 15 . 1 1 12 12 GLY C C 12 173.279 173.279 174.398 -1.119 26047 6855 1 15 . 1 1 12 12 GLY CA C 12 46.049 46.049 45.883 0.166 26047 6856 1 15 . 1 1 12 12 GLY H H 12 8.719 8.719 8.110 0.609 26047 6857 1 15 . 1 1 13 13 ARG N N 13 117.671 117.671 116.695 0.976 26047 6858 1 15 . 1 1 13 13 ARG HA H 13 4.709 4.709 4.645 0.064 26047 6859 1 15 . 1 1 13 13 ARG C C 13 175.038 175.038 175.056 -0.018 26047 6860 1 15 . 1 1 13 13 ARG CA C 13 56.794 56.794 55.667 1.127 26047 6861 1 15 . 1 1 13 13 ARG CB C 13 34.416 34.416 31.483 2.933 26047 6862 1 15 . 1 1 13 13 ARG H H 13 8.539 8.539 8.030 0.509 26047 6863 1 15 . 1 1 14 14 THR N N 14 125.323 125.323 118.453 6.870 26047 6864 1 15 . 1 1 14 14 THR HA H 14 4.205 4.205 4.581 -0.376 26047 6865 1 15 . 1 1 14 14 THR C C 14 172.353 172.353 172.926 -0.573 26047 6866 1 15 . 1 1 14 14 THR CA C 14 62.060 62.060 61.025 1.035 26047 6867 1 15 . 1 1 14 14 THR CB C 14 66.395 66.395 69.323 -2.928 26047 6868 1 15 . 1 1 14 14 THR H H 14 10.197 10.197 7.581 2.616 26047 6869 1 15 . 1 1 15 15 PHE N N 15 124.865 124.865 126.153 -1.288 26047 6870 1 15 . 1 1 15 15 PHE HA H 15 5.232 5.232 5.196 0.036 26047 6871 1 15 . 1 1 15 15 PHE C C 15 174.388 174.388 174.760 -0.372 26047 6872 1 15 . 1 1 15 15 PHE CA C 15 54.495 54.495 54.941 -0.446 26047 6873 1 15 . 1 1 15 15 PHE CB C 15 39.883 39.883 39.206 0.677 26047 6874 1 15 . 1 1 15 15 PHE H H 15 8.086 8.086 8.724 -0.638 26047 6875 1 15 . 1 1 19 19 GLY N N 19 112.901 112.901 112.467 0.434 26047 6876 1 15 . 1 1 19 19 GLY C C 19 174.204 174.204 173.268 0.936 26047 6877 1 15 . 1 1 19 19 GLY CA C 19 44.943 44.943 44.909 0.034 26047 6878 1 15 . 1 1 19 19 GLY H H 19 8.682 8.682 8.363 0.319 26047 6879 1 15 . 1 1 20 20 GLN N N 20 118.698 118.698 119.486 -0.788 26047 6880 1 15 . 1 1 20 20 GLN HA H 20 4.497 4.497 4.561 -0.064 26047 6881 1 15 . 1 1 20 20 GLN C C 20 174.974 174.974 174.650 0.324 26047 6882 1 15 . 1 1 20 20 GLN CA C 20 56.335 56.335 54.143 2.192 26047 6883 1 15 . 1 1 20 20 GLN CB C 20 30.891 30.891 29.747 1.144 26047 6884 1 15 . 1 1 20 20 GLN H H 20 8.103 8.103 7.738 0.365 26047 6885 1 15 . 1 1 21 21 THR N N 21 119.715 119.715 116.317 3.398 26047 6886 1 15 . 1 1 21 21 THR HA H 21 4.457 4.457 4.707 -0.250 26047 6887 1 15 . 1 1 21 21 THR C C 21 173.797 173.797 174.138 -0.341 26047 6888 1 15 . 1 1 21 21 THR CA C 21 63.067 63.067 62.198 0.869 26047 6889 1 15 . 1 1 21 21 THR CB C 21 68.825 68.825 69.763 -0.938 26047 6890 1 15 . 1 1 21 21 THR H H 21 8.729 8.729 8.492 0.237 26047 6891 1 15 . 1 1 22 22 CYS N N 22 126.008 126.008 124.989 1.019 26047 6892 1 15 . 1 1 22 22 CYS HA H 22 4.269 4.269 4.691 -0.422 26047 6893 1 15 . 1 1 22 22 CYS C C 22 172.458 172.458 173.066 -0.608 26047 6894 1 15 . 1 1 22 22 CYS CA C 22 58.011 58.011 57.353 0.658 26047 6895 1 15 . 1 1 22 22 CYS CB C 22 28.794 28.794 28.883 -0.088 26047 6896 1 15 . 1 1 22 22 CYS H H 22 8.826 8.826 8.469 0.357 26047 6897 1 15 . 1 1 23 23 VAL N N 23 123.456 123.456 129.414 -5.958 26047 6898 1 15 . 1 1 23 23 VAL HA H 23 4.595 4.595 4.353 0.242 26047 6899 1 15 . 1 1 23 23 VAL C C 23 175.899 175.899 174.813 1.086 26047 6900 1 15 . 1 1 23 23 VAL CA C 23 61.411 61.411 62.718 -1.308 26047 6901 1 15 . 1 1 23 23 VAL CB C 23 31.277 31.277 31.412 -0.135 26047 6902 1 15 . 1 1 23 23 VAL H H 23 8.063 8.063 8.788 -0.725 26047 6903 1 15 . 1 1 24 24 VAL N N 24 118.126 118.126 120.664 -2.538 26047 6904 1 15 . 1 1 24 24 VAL HA H 24 5.852 5.852 4.971 0.881 26047 6905 1 15 . 1 1 24 24 VAL C C 24 175.589 175.589 174.459 1.130 26047 6906 1 15 . 1 1 24 24 VAL CA C 24 57.962 57.962 59.776 -1.814 26047 6907 1 15 . 1 1 24 24 VAL CB C 24 35.885 35.885 36.425 -0.540 26047 6908 1 15 . 1 1 24 24 VAL H H 24 9.620 9.620 8.819 0.801 26047 6909 1 15 . 1 1 25 25 HIS N N 25 118.824 118.824 122.104 -3.280 26047 6910 1 15 . 1 1 25 25 HIS HA H 25 5.865 5.865 5.091 0.774 26047 6911 1 15 . 1 1 25 25 HIS C C 25 176.663 176.663 174.748 1.915 26047 6912 1 15 . 1 1 25 25 HIS CA C 25 54.463 54.463 55.673 -1.210 26047 6913 1 15 . 1 1 25 25 HIS CB C 25 35.454 35.454 31.526 3.928 26047 6914 1 15 . 1 1 25 25 HIS H H 25 8.579 8.579 8.328 0.251 26047 6915 1 15 . 1 1 26 26 TYR N N 26 118.524 118.524 122.744 -4.220 26047 6916 1 15 . 1 1 26 26 TYR HA H 26 6.441 6.441 5.535 0.906 26047 6917 1 15 . 1 1 26 26 TYR C C 26 173.864 173.864 174.724 -0.860 26047 6918 1 15 . 1 1 26 26 TYR CA C 26 55.934 55.934 55.221 0.713 26047 6919 1 15 . 1 1 26 26 TYR CB C 26 44.380 44.380 40.950 3.430 26047 6920 1 15 . 1 1 26 26 TYR H H 26 9.937 9.937 8.997 0.940 26047 6921 1 15 . 1 1 27 27 THR N N 27 117.098 117.098 115.768 1.330 26047 6922 1 15 . 1 1 27 27 THR HA H 27 4.482 4.482 4.745 -0.263 26047 6923 1 15 . 1 1 27 27 THR C C 27 172.648 172.648 173.508 -0.860 26047 6924 1 15 . 1 1 27 27 THR CA C 27 63.163 63.163 61.686 1.477 26047 6925 1 15 . 1 1 27 27 THR CB C 27 72.324 72.324 70.608 1.716 26047 6926 1 15 . 1 1 27 27 THR H H 27 8.716 8.716 8.577 0.139 26047 6927 1 15 . 1 1 28 28 GLY N N 28 115.590 115.590 113.884 1.706 26047 6928 1 15 . 1 1 28 28 GLY C C 28 171.083 171.083 171.454 -0.371 26047 6929 1 15 . 1 1 28 28 GLY CA C 28 45.419 45.419 43.192 2.227 26047 6930 1 15 . 1 1 28 28 GLY H H 28 9.316 9.316 9.344 -0.028 26047 6931 1 15 . 1 1 29 29 MET N N 29 125.723 125.723 124.757 0.966 26047 6932 1 15 . 1 1 29 29 MET HA H 29 5.251 5.251 4.655 0.596 26047 6933 1 15 . 1 1 29 29 MET C C 29 175.508 175.508 175.637 -0.129 26047 6934 1 15 . 1 1 29 29 MET CA C 29 54.221 54.221 54.133 0.088 26047 6935 1 15 . 1 1 29 29 MET CB C 29 37.913 37.913 36.414 1.499 26047 6936 1 15 . 1 1 29 29 MET H H 29 9.192 9.192 8.828 0.364 26047 6937 1 15 . 1 1 30 30 LEU N N 30 119.150 119.150 123.858 -4.708 26047 6938 1 15 . 1 1 30 30 LEU HA H 30 4.772 4.772 4.229 0.543 26047 6939 1 15 . 1 1 30 30 LEU C C 30 179.278 179.278 178.746 0.532 26047 6940 1 15 . 1 1 30 30 LEU CA C 30 54.169 54.169 55.965 -1.796 26047 6941 1 15 . 1 1 30 30 LEU CB C 30 41.634 41.634 42.615 -0.981 26047 6942 1 15 . 1 1 30 30 LEU H H 30 8.433 8.433 8.848 -0.415 26047 6943 1 15 . 1 1 31 31 GLU N N 31 120.636 120.636 120.953 -0.317 26047 6944 1 15 . 1 1 31 31 GLU HA H 31 3.816 3.816 4.011 -0.195 26047 6945 1 15 . 1 1 31 31 GLU C C 31 176.568 176.568 177.397 -0.829 26047 6946 1 15 . 1 1 31 31 GLU CA C 31 59.788 59.788 59.195 0.593 26047 6947 1 15 . 1 1 31 31 GLU CB C 31 29.883 29.883 29.696 0.187 26047 6948 1 15 . 1 1 31 31 GLU H H 31 9.110 9.110 9.007 0.103 26047 6949 1 15 . 1 1 32 32 ASP N N 32 115.429 115.429 115.279 0.150 26047 6950 1 15 . 1 1 32 32 ASP HA H 32 4.420 4.420 4.700 -0.280 26047 6951 1 15 . 1 1 32 32 ASP C C 32 177.209 177.209 176.281 0.928 26047 6952 1 15 . 1 1 32 32 ASP CA C 32 53.556 53.556 54.430 -0.874 26047 6953 1 15 . 1 1 32 32 ASP CB C 32 40.030 40.030 41.538 -1.508 26047 6954 1 15 . 1 1 32 32 ASP H H 32 7.826 7.826 8.308 -0.482 26047 6955 1 15 . 1 1 37 37 ASP N N 37 118.871 118.871 122.160 -3.289 26047 6956 1 15 . 1 1 37 37 ASP HA H 37 4.827 4.827 4.963 -0.136 26047 6957 1 15 . 1 1 37 37 ASP C C 37 174.807 174.807 173.930 0.877 26047 6958 1 15 . 1 1 37 37 ASP CA C 37 54.739 54.739 54.900 -0.161 26047 6959 1 15 . 1 1 37 37 ASP CB C 37 44.386 44.386 44.138 0.248 26047 6960 1 15 . 1 1 37 37 ASP H H 37 6.765 6.765 7.741 -0.976 26047 6961 1 15 . 1 1 38 38 SER N N 38 118.532 118.532 120.654 -2.122 26047 6962 1 15 . 1 1 38 38 SER HA H 38 4.581 4.581 4.913 -0.332 26047 6963 1 15 . 1 1 38 38 SER C C 38 174.967 174.967 175.086 -0.119 26047 6964 1 15 . 1 1 38 38 SER CA C 38 57.033 57.033 57.007 0.026 26047 6965 1 15 . 1 1 38 38 SER CB C 38 64.862 64.862 65.535 -0.673 26047 6966 1 15 . 1 1 38 38 SER H H 38 8.196 8.196 8.368 -0.172 26047 6967 1 15 . 1 1 39 39 SER N N 39 124.920 124.920 120.552 4.368 26047 6968 1 15 . 1 1 39 39 SER HA H 39 4.131 4.131 4.412 -0.281 26047 6969 1 15 . 1 1 39 39 SER C C 39 177.101 177.101 176.542 0.559 26047 6970 1 15 . 1 1 39 39 SER CA C 39 61.690 61.690 60.603 1.087 26047 6971 1 15 . 1 1 39 39 SER CB C 39 61.632 61.632 63.414 -1.782 26047 6972 1 15 . 1 1 39 39 SER H H 39 7.872 7.872 8.022 -0.150 26047 6973 1 15 . 1 1 40 40 ARG N N 40 124.309 124.309 120.929 3.380 26047 6974 1 15 . 1 1 40 40 ARG HA H 40 3.607 3.607 4.312 -0.705 26047 6975 1 15 . 1 1 40 40 ARG C C 40 179.844 179.844 178.366 1.478 26047 6976 1 15 . 1 1 40 40 ARG CA C 40 58.859 58.859 58.426 0.433 26047 6977 1 15 . 1 1 40 40 ARG CB C 40 28.763 28.763 29.462 -0.699 26047 6978 1 15 . 1 1 40 40 ARG H H 40 7.617 7.617 7.880 -0.263 26047 6979 1 15 . 1 1 41 41 ASP N N 41 118.394 118.394 120.412 -2.018 26047 6980 1 15 . 1 1 41 41 ASP HA H 41 4.314 4.314 4.470 -0.156 26047 6981 1 15 . 1 1 41 41 ASP C C 41 176.750 176.750 177.184 -0.434 26047 6982 1 15 . 1 1 41 41 ASP CA C 41 56.536 56.536 56.950 -0.414 26047 6983 1 15 . 1 1 41 41 ASP CB C 41 40.095 40.095 40.337 -0.242 26047 6984 1 15 . 1 1 41 41 ASP H H 41 7.079 7.079 8.566 -1.487 26047 6985 1 15 . 1 1 42 42 ARG N N 42 115.037 115.037 117.146 -2.109 26047 6986 1 15 . 1 1 42 42 ARG HA H 42 4.431 4.431 4.437 -0.006 26047 6987 1 15 . 1 1 42 42 ARG C C 42 175.430 175.430 175.679 -0.249 26047 6988 1 15 . 1 1 42 42 ARG CA C 42 56.099 56.099 55.804 0.295 26047 6989 1 15 . 1 1 42 42 ARG CB C 42 31.577 31.577 30.660 0.917 26047 6990 1 15 . 1 1 42 42 ARG H H 42 6.859 6.859 7.783 -0.924 26047 6991 1 15 . 1 1 49 49 MET N N 49 123.105 123.105 120.540 2.565 26047 6992 1 15 . 1 1 49 49 MET HA H 49 4.681 4.681 4.966 -0.285 26047 6993 1 15 . 1 1 49 49 MET C C 49 176.492 176.492 175.062 1.430 26047 6994 1 15 . 1 1 49 49 MET CA C 49 54.487 54.487 54.605 -0.118 26047 6995 1 15 . 1 1 49 49 MET CB C 49 33.755 33.755 35.265 -1.510 26047 6996 1 15 . 1 1 49 49 MET H H 49 9.261 9.261 8.635 0.626 26047 6997 1 15 . 1 1 50 50 LEU N N 50 131.689 131.689 123.873 7.816 26047 6998 1 15 . 1 1 50 50 LEU HA H 50 4.210 4.210 4.681 -0.471 26047 6999 1 15 . 1 1 50 50 LEU C C 50 177.825 177.825 178.008 -0.183 26047 7000 1 15 . 1 1 50 50 LEU CA C 50 57.249 57.249 54.303 2.946 26047 7001 1 15 . 1 1 50 50 LEU CB C 50 41.752 41.752 41.404 0.348 26047 7002 1 15 . 1 1 50 50 LEU H H 50 8.633 8.633 7.798 0.835 26047 7003 1 15 . 1 1 54 54 GLU N N 54 117.417 117.417 119.685 -2.268 26047 7004 1 15 . 1 1 54 54 GLU HA H 54 4.220 4.220 4.254 -0.034 26047 7005 1 15 . 1 1 54 54 GLU C C 54 176.221 176.221 175.992 0.229 26047 7006 1 15 . 1 1 54 54 GLU CA C 54 57.447 57.447 57.864 -0.417 26047 7007 1 15 . 1 1 54 54 GLU CB C 54 31.200 31.200 30.468 0.732 26047 7008 1 15 . 1 1 54 54 GLU H H 54 9.389 9.389 8.859 0.530 26047 7009 1 15 . 1 1 55 55 VAL N N 55 108.426 108.426 113.409 -4.983 26047 7010 1 15 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.215 0.099 26047 7011 1 15 . 1 1 55 55 VAL C C 55 175.226 175.226 174.662 0.564 26047 7012 1 15 . 1 1 55 55 VAL CA C 55 57.461 57.461 59.438 -1.977 26047 7013 1 15 . 1 1 55 55 VAL CB C 55 35.557 35.557 33.988 1.569 26047 7014 1 15 . 1 1 55 55 VAL H H 55 6.820 6.820 7.283 -0.463 26047 7015 1 15 . 1 1 56 56 ILE N N 56 111.618 111.618 113.705 -2.087 26047 7016 1 15 . 1 1 56 56 ILE HA H 56 3.853 3.853 4.101 -0.248 26047 7017 1 15 . 1 1 56 56 ILE C C 56 177.344 177.344 176.346 0.998 26047 7018 1 15 . 1 1 56 56 ILE CA C 56 61.975 61.975 60.562 1.413 26047 7019 1 15 . 1 1 56 56 ILE CB C 56 38.342 38.342 38.164 0.178 26047 7020 1 15 . 1 1 56 56 ILE H H 56 7.404 7.404 7.389 0.015 26047 7021 1 15 . 1 1 57 57 ARG N N 57 124.436 124.436 123.569 0.867 26047 7022 1 15 . 1 1 57 57 ARG HA H 57 4.063 4.063 4.035 0.028 26047 7023 1 15 . 1 1 57 57 ARG C C 57 179.428 179.428 178.584 0.844 26047 7024 1 15 . 1 1 57 57 ARG CA C 57 59.838 59.838 59.671 0.167 26047 7025 1 15 . 1 1 57 57 ARG CB C 57 30.630 30.630 30.238 0.392 26047 7026 1 15 . 1 1 57 57 ARG H H 57 8.631 8.631 8.432 0.199 26047 7027 1 15 . 1 1 58 58 GLY N N 58 107.151 107.151 105.071 2.080 26047 7028 1 15 . 1 1 58 58 GLY C C 58 175.210 175.210 175.452 -0.242 26047 7029 1 15 . 1 1 58 58 GLY CA C 58 47.621 47.621 46.698 0.923 26047 7030 1 15 . 1 1 58 58 GLY H H 58 9.688 9.688 7.983 1.705 26047 7031 1 15 . 1 1 59 59 TRP N N 59 119.956 119.956 121.406 -1.450 26047 7032 1 15 . 1 1 59 59 TRP HA H 59 4.227 4.227 4.522 -0.295 26047 7033 1 15 . 1 1 59 59 TRP C C 59 177.529 177.529 178.630 -1.101 26047 7034 1 15 . 1 1 59 59 TRP CA C 59 59.681 59.681 58.565 1.117 26047 7035 1 15 . 1 1 59 59 TRP CB C 59 29.092 29.092 29.366 -0.274 26047 7036 1 15 . 1 1 59 59 TRP H H 59 7.534 7.534 7.473 0.061 26047 7037 1 15 . 1 1 60 60 GLU N N 60 118.374 118.374 119.111 -0.737 26047 7038 1 15 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.218 -0.328 26047 7039 1 15 . 1 1 60 60 GLU C C 60 178.377 178.377 179.312 -0.935 26047 7040 1 15 . 1 1 60 60 GLU CA C 60 61.081 61.081 59.972 1.109 26047 7041 1 15 . 1 1 60 60 GLU CB C 60 29.417 29.417 29.495 -0.078 26047 7042 1 15 . 1 1 60 60 GLU H H 60 7.275 7.275 7.967 -0.692 26047 7043 1 15 . 1 1 61 61 GLU N N 61 113.896 113.896 117.319 -3.423 26047 7044 1 15 . 1 1 61 61 GLU HA H 61 4.149 4.149 4.369 -0.220 26047 7045 1 15 . 1 1 61 61 GLU C C 61 179.320 179.320 178.262 1.058 26047 7046 1 15 . 1 1 61 61 GLU CA C 61 58.633 58.633 58.160 0.472 26047 7047 1 15 . 1 1 61 61 GLU CB C 61 29.872 29.872 29.732 0.140 26047 7048 1 15 . 1 1 61 61 GLU H H 61 8.390 8.390 8.187 0.203 26047 7049 1 15 . 1 1 62 62 GLY N N 62 106.899 106.899 108.206 -1.307 26047 7050 1 15 . 1 1 62 62 GLY C C 62 174.585 174.585 176.506 -1.921 26047 7051 1 15 . 1 1 62 62 GLY CA C 62 47.194 47.194 46.178 1.016 26047 7052 1 15 . 1 1 62 62 GLY H H 62 7.932 7.932 7.745 0.187 26047 7053 1 15 . 1 1 63 63 VAL N N 63 120.730 120.730 122.699 -1.969 26047 7054 1 15 . 1 1 63 63 VAL HA H 63 3.927 3.927 3.882 0.045 26047 7055 1 15 . 1 1 63 63 VAL C C 63 177.334 177.334 177.465 -0.131 26047 7056 1 15 . 1 1 63 63 VAL CA C 63 65.419 65.419 64.115 1.304 26047 7057 1 15 . 1 1 63 63 VAL CB C 63 31.126 31.126 31.550 -0.424 26047 7058 1 15 . 1 1 63 63 VAL H H 63 8.688 8.688 8.554 0.134 26047 7059 1 15 . 1 1 64 64 ALA N N 64 117.132 117.132 120.621 -3.489 26047 7060 1 15 . 1 1 64 64 ALA HA H 64 4.014 4.014 4.317 -0.303 26047 7061 1 15 . 1 1 64 64 ALA C C 64 177.759 177.759 178.169 -0.410 26047 7062 1 15 . 1 1 64 64 ALA CA C 64 54.526 54.526 53.926 0.600 26047 7063 1 15 . 1 1 64 64 ALA CB C 64 18.715 18.715 18.488 0.227 26047 7064 1 15 . 1 1 64 64 ALA H H 64 7.160 7.160 8.074 -0.914 26047 7065 1 15 . 1 1 65 65 GLN N N 65 112.231 112.231 116.238 -4.007 26047 7066 1 15 . 1 1 65 65 GLN HA H 65 4.359 4.359 4.362 -0.003 26047 7067 1 15 . 1 1 65 65 GLN C C 65 175.568 175.568 175.909 -0.341 26047 7068 1 15 . 1 1 65 65 GLN CA C 65 55.459 55.459 56.053 -0.594 26047 7069 1 15 . 1 1 65 65 GLN CB C 65 30.028 30.028 29.559 0.469 26047 7070 1 15 . 1 1 65 65 GLN H H 65 7.143 7.143 7.857 -0.714 26047 7071 1 15 . 1 1 66 66 MET N N 66 122.412 122.412 118.356 4.056 26047 7072 1 15 . 1 1 66 66 MET HA H 66 4.788 4.788 4.801 -0.013 26047 7073 1 15 . 1 1 66 66 MET C C 66 172.467 172.467 175.032 -2.565 26047 7074 1 15 . 1 1 66 66 MET CA C 66 55.118 55.118 54.234 0.884 26047 7075 1 15 . 1 1 66 66 MET CB C 66 35.667 35.667 34.842 0.825 26047 7076 1 15 . 1 1 66 66 MET H H 66 7.965 7.965 7.502 0.463 26047 7077 1 15 . 1 1 67 67 SER N N 67 107.611 107.611 114.114 -6.503 26047 7078 1 15 . 1 1 67 67 SER HA H 67 4.833 4.833 4.476 0.357 26047 7079 1 15 . 1 1 67 67 SER C C 67 176.275 176.275 174.371 1.904 26047 7080 1 15 . 1 1 67 67 SER CA C 67 54.465 54.465 56.083 -1.618 26047 7081 1 15 . 1 1 67 67 SER CB C 67 65.982 65.982 64.960 1.022 26047 7082 1 15 . 1 1 67 67 SER H H 67 8.182 8.182 8.121 0.061 26047 7083 1 15 . 1 1 68 68 VAL N N 68 119.266 119.266 121.011 -1.745 26047 7084 1 15 . 1 1 68 68 VAL HA H 68 3.105 3.105 3.585 -0.480 26047 7085 1 15 . 1 1 68 68 VAL C C 68 176.390 176.390 176.780 -0.390 26047 7086 1 15 . 1 1 68 68 VAL CA C 68 67.074 67.074 65.006 2.068 26047 7087 1 15 . 1 1 68 68 VAL CB C 68 31.503 31.503 30.842 0.661 26047 7088 1 15 . 1 1 68 68 VAL H H 68 7.650 7.650 8.183 -0.533 26047 7089 1 15 . 1 1 69 69 GLY N N 69 116.900 116.900 114.168 2.732 26047 7090 1 15 . 1 1 69 69 GLY C C 69 173.934 173.934 173.752 0.182 26047 7091 1 15 . 1 1 69 69 GLY CA C 69 44.407 44.407 44.977 -0.570 26047 7092 1 15 . 1 1 69 69 GLY H H 69 8.855 8.855 8.650 0.205 26047 7093 1 15 . 1 1 70 70 GLN N N 70 123.210 123.210 120.643 2.567 26047 7094 1 15 . 1 1 70 70 GLN HA H 70 4.035 4.035 4.762 -0.727 26047 7095 1 15 . 1 1 70 70 GLN C C 70 173.663 173.663 174.431 -0.768 26047 7096 1 15 . 1 1 70 70 GLN CA C 70 55.788 55.788 54.752 1.036 26047 7097 1 15 . 1 1 70 70 GLN CB C 70 30.551 30.551 31.436 -0.885 26047 7098 1 15 . 1 1 70 70 GLN H H 70 8.607 8.607 7.921 0.686 26047 7099 1 15 . 1 1 71 71 ARG N N 71 124.586 124.586 126.208 -1.622 26047 7100 1 15 . 1 1 71 71 ARG HA H 71 5.660 5.660 4.848 0.812 26047 7101 1 15 . 1 1 71 71 ARG C C 71 175.582 175.582 173.997 1.585 26047 7102 1 15 . 1 1 71 71 ARG CA C 71 53.936 53.936 54.696 -0.760 26047 7103 1 15 . 1 1 71 71 ARG CB C 71 33.739 33.739 32.525 1.214 26047 7104 1 15 . 1 1 71 71 ARG H H 71 8.802 8.802 8.668 0.134 26047 7105 1 15 . 1 1 75 75 THR N N 75 121.856 121.856 121.318 0.538 26047 7106 1 15 . 1 1 75 75 THR HA H 75 5.052 5.052 4.707 0.345 26047 7107 1 15 . 1 1 75 75 THR C C 75 175.079 175.079 173.731 1.348 26047 7108 1 15 . 1 1 75 75 THR CA C 75 63.355 63.355 62.944 0.411 26047 7109 1 15 . 1 1 75 75 THR CB C 75 68.790 68.790 69.237 -0.447 26047 7110 1 15 . 1 1 75 75 THR H H 75 8.884 8.884 8.854 0.030 26047 7111 1 15 . 1 1 76 76 ILE N N 76 129.859 129.859 127.760 2.099 26047 7112 1 15 . 1 1 76 76 ILE HA H 76 4.680 4.680 4.621 0.059 26047 7113 1 15 . 1 1 76 76 ILE C C 76 173.943 173.943 175.435 -1.492 26047 7114 1 15 . 1 1 76 76 ILE CA C 76 60.898 60.898 58.408 2.490 26047 7115 1 15 . 1 1 76 76 ILE CB C 76 41.236 41.236 39.800 1.436 26047 7116 1 15 . 1 1 76 76 ILE H H 76 9.864 9.864 8.699 1.165 26047 7117 1 15 . 1 1 77 77 SER N N 77 123.243 123.243 120.037 3.206 26047 7118 1 15 . 1 1 77 77 SER HA H 77 4.732 4.732 5.100 -0.368 26047 7119 1 15 . 1 1 77 77 SER C C 77 173.647 173.647 174.155 -0.508 26047 7120 1 15 . 1 1 77 77 SER CA C 77 57.726 57.726 54.998 2.728 26047 7121 1 15 . 1 1 77 77 SER CB C 77 62.763 62.763 63.777 -1.014 26047 7122 1 15 . 1 1 77 77 SER H H 77 8.612 8.612 8.651 -0.039 26047 7123 1 15 . 1 1 78 78 PRO HA H 78 4.488 4.488 4.360 0.128 26047 7124 1 15 . 1 1 78 78 PRO C C 78 180.133 180.133 176.972 3.161 26047 7125 1 15 . 1 1 78 78 PRO CA C 78 65.828 65.828 65.072 0.756 26047 7126 1 15 . 1 1 78 78 PRO CB C 78 30.995 30.995 32.019 -1.024 26047 7127 1 15 . 1 1 79 79 ASP N N 79 115.934 115.934 115.810 0.124 26047 7128 1 15 . 1 1 79 79 ASP HA H 79 4.390 4.390 4.558 -0.168 26047 7129 1 15 . 1 1 79 79 ASP C C 79 176.810 176.810 177.338 -0.528 26047 7130 1 15 . 1 1 79 79 ASP CA C 79 56.159 56.159 56.492 -0.333 26047 7131 1 15 . 1 1 79 79 ASP CB C 79 39.361 39.361 41.074 -1.713 26047 7132 1 15 . 1 1 79 79 ASP H H 79 8.799 8.799 8.707 0.092 26047 7133 1 15 . 1 1 80 80 TYR N N 80 120.969 120.969 118.771 2.198 26047 7134 1 15 . 1 1 80 80 TYR HA H 80 4.377 4.377 4.510 -0.133 26047 7135 1 15 . 1 1 80 80 TYR C C 80 173.332 173.332 175.871 -2.539 26047 7136 1 15 . 1 1 80 80 TYR CA C 80 57.597 57.597 59.553 -1.956 26047 7137 1 15 . 1 1 80 80 TYR CB C 80 38.903 38.903 40.105 -1.202 26047 7138 1 15 . 1 1 80 80 TYR H H 80 8.116 8.116 7.798 0.318 26047 7139 1 15 . 1 1 81 81 ALA N N 81 125.669 125.669 122.822 2.847 26047 7140 1 15 . 1 1 81 81 ALA HA H 81 4.421 4.421 4.013 0.408 26047 7141 1 15 . 1 1 81 81 ALA C C 81 175.888 175.888 177.296 -1.408 26047 7142 1 15 . 1 1 81 81 ALA CA C 81 51.701 51.701 54.552 -2.851 26047 7143 1 15 . 1 1 81 81 ALA CB C 81 19.334 19.334 19.127 0.207 26047 7144 1 15 . 1 1 81 81 ALA H H 81 7.801 7.801 8.409 -0.608 26047 7145 1 15 . 1 1 82 82 TYR N N 82 122.080 122.080 114.859 7.221 26047 7146 1 15 . 1 1 82 82 TYR HA H 82 4.566 4.566 4.595 -0.029 26047 7147 1 15 . 1 1 82 82 TYR C C 82 176.653 176.653 176.520 0.133 26047 7148 1 15 . 1 1 82 82 TYR CA C 82 58.865 58.865 58.516 0.349 26047 7149 1 15 . 1 1 82 82 TYR CB C 82 37.995 37.995 41.709 -3.714 26047 7150 1 15 . 1 1 82 82 TYR H H 82 9.321 9.321 7.625 1.696 26047 7151 1 15 . 1 1 83 83 GLY N N 83 108.394 108.394 106.561 1.833 26047 7152 1 15 . 1 1 83 83 GLY C C 83 175.214 175.214 172.776 2.438 26047 7153 1 15 . 1 1 83 83 GLY CA C 83 46.827 46.827 45.399 1.428 26047 7154 1 15 . 1 1 83 83 GLY H H 83 8.535 8.535 7.917 0.618 26047 7155 1 15 . 1 1 84 84 ALA HA H 84 3.273 3.273 4.260 -0.987 26047 7156 1 15 . 1 1 84 84 ALA C C 84 177.536 177.536 177.675 -0.139 26047 7157 1 15 . 1 1 84 84 ALA CA C 84 53.514 53.514 53.706 -0.192 26047 7158 1 15 . 1 1 84 84 ALA CB C 84 19.318 19.318 19.154 0.164 26047 7159 1 15 . 1 1 85 85 THR N N 85 109.341 109.341 113.260 -3.919 26047 7160 1 15 . 1 1 85 85 THR HA H 85 4.038 4.038 4.230 -0.192 26047 7161 1 15 . 1 1 85 85 THR C C 85 177.149 177.149 175.140 2.009 26047 7162 1 15 . 1 1 85 85 THR CA C 85 64.040 64.040 62.193 1.847 26047 7163 1 15 . 1 1 85 85 THR CB C 85 69.466 69.466 69.638 -0.172 26047 7164 1 15 . 1 1 85 85 THR H H 85 7.927 7.927 7.892 0.035 26047 7165 1 15 . 1 1 86 86 GLY N N 86 106.961 106.961 108.800 -1.839 26047 7166 1 15 . 1 1 86 86 GLY C C 86 171.567 171.567 173.009 -1.442 26047 7167 1 15 . 1 1 86 86 GLY CA C 86 45.151 45.151 44.529 0.622 26047 7168 1 15 . 1 1 86 86 GLY H H 86 7.341 7.341 7.631 -0.290 26047 7169 1 15 . 1 1 87 87 HIS N N 87 121.870 121.870 120.268 1.602 26047 7170 1 15 . 1 1 87 87 HIS HA H 87 4.967 4.967 4.651 0.316 26047 7171 1 15 . 1 1 87 87 HIS C C 87 172.750 172.750 173.663 -0.913 26047 7172 1 15 . 1 1 87 87 HIS CA C 87 53.029 53.029 52.622 0.407 26047 7173 1 15 . 1 1 87 87 HIS CB C 87 32.349 32.349 30.602 1.747 26047 7174 1 15 . 1 1 87 87 HIS H H 87 8.799 8.799 7.971 0.828 26047 7175 1 15 . 1 1 88 88 PRO HA H 88 4.132 4.132 4.299 -0.167 26047 7176 1 15 . 1 1 88 88 PRO C C 88 176.585 176.585 177.439 -0.854 26047 7177 1 15 . 1 1 88 88 PRO CA C 88 65.123 65.123 63.704 1.419 26047 7178 1 15 . 1 1 88 88 PRO CB C 88 31.851 31.851 31.768 0.083 26047 7179 1 15 . 1 1 89 89 GLY N N 89 113.445 113.445 113.151 0.294 26047 7180 1 15 . 1 1 89 89 GLY C C 89 174.030 174.030 174.710 -0.680 26047 7181 1 15 . 1 1 89 89 GLY CA C 89 45.251 45.251 45.127 0.124 26047 7182 1 15 . 1 1 89 89 GLY H H 89 8.571 8.571 8.686 -0.115 26047 7183 1 15 . 1 1 90 90 ILE N N 90 118.128 118.128 121.145 -3.017 26047 7184 1 15 . 1 1 90 90 ILE HA H 90 4.252 4.252 4.214 0.038 26047 7185 1 15 . 1 1 90 90 ILE C C 90 174.403 174.403 175.919 -1.516 26047 7186 1 15 . 1 1 90 90 ILE CA C 90 62.855 62.855 62.542 0.313 26047 7187 1 15 . 1 1 90 90 ILE CB C 90 41.565 41.565 39.029 2.536 26047 7188 1 15 . 1 1 90 90 ILE H H 90 8.103 8.103 7.628 0.475 26047 7189 1 15 . 1 1 91 91 ILE N N 91 119.444 119.444 120.312 -0.868 26047 7190 1 15 . 1 1 91 91 ILE HA H 91 4.506 4.506 4.319 0.187 26047 7191 1 15 . 1 1 91 91 ILE C C 91 174.345 174.345 173.754 0.591 26047 7192 1 15 . 1 1 91 91 ILE CA C 91 56.335 56.335 56.986 -0.651 26047 7193 1 15 . 1 1 91 91 ILE CB C 91 40.719 40.719 36.855 3.864 26047 7194 1 15 . 1 1 91 91 ILE H H 91 8.241 8.241 7.564 0.677 26047 7195 1 15 . 1 1 92 92 PRO HA H 92 4.717 4.717 4.688 0.029 26047 7196 1 15 . 1 1 92 92 PRO CB C 92 31.011 31.011 31.369 -0.358 26047 7197 1 15 . 1 1 93 93 PRO HA H 93 3.617 3.617 4.309 -0.692 26047 7198 1 15 . 1 1 93 93 PRO C C 93 175.714 175.714 176.971 -1.257 26047 7199 1 15 . 1 1 93 93 PRO CA C 93 63.618 63.618 63.085 0.533 26047 7200 1 15 . 1 1 93 93 PRO CB C 93 33.171 33.171 32.372 0.799 26047 7201 1 15 . 1 1 94 94 HIS N N 94 115.851 115.851 116.455 -0.604 26047 7202 1 15 . 1 1 94 94 HIS HA H 94 3.804 3.804 4.159 -0.355 26047 7203 1 15 . 1 1 94 94 HIS C C 94 173.821 173.821 173.750 0.071 26047 7204 1 15 . 1 1 94 94 HIS CA C 94 57.145 57.145 57.576 -0.431 26047 7205 1 15 . 1 1 94 94 HIS CB C 94 27.977 27.977 27.705 0.272 26047 7206 1 15 . 1 1 94 94 HIS H H 94 7.934 7.934 8.517 -0.583 26047 7207 1 15 . 1 1 95 95 ALA N N 95 122.072 122.072 120.919 1.153 26047 7208 1 15 . 1 1 95 95 ALA HA H 95 4.459 4.459 4.643 -0.184 26047 7209 1 15 . 1 1 95 95 ALA C C 95 177.246 177.246 175.595 1.651 26047 7210 1 15 . 1 1 95 95 ALA CA C 95 52.728 52.728 50.816 1.912 26047 7211 1 15 . 1 1 95 95 ALA CB C 95 20.567 20.567 21.680 -1.113 26047 7212 1 15 . 1 1 95 95 ALA H H 95 7.706 7.706 7.707 -0.001 26047 7213 1 15 . 1 1 96 96 THR N N 96 122.875 122.875 119.179 3.696 26047 7214 1 15 . 1 1 96 96 THR HA H 96 4.650 4.650 4.401 0.249 26047 7215 1 15 . 1 1 96 96 THR C C 96 173.818 173.818 173.925 -0.107 26047 7216 1 15 . 1 1 96 96 THR CA C 96 63.778 63.778 63.653 0.126 26047 7217 1 15 . 1 1 96 96 THR CB C 96 69.588 69.588 69.620 -0.032 26047 7218 1 15 . 1 1 96 96 THR H H 96 8.448 8.448 8.238 0.210 26047 7219 1 15 . 1 1 97 97 LEU N N 97 124.809 124.809 125.139 -0.330 26047 7220 1 15 . 1 1 97 97 LEU HA H 97 5.110 5.110 4.666 0.444 26047 7221 1 15 . 1 1 97 97 LEU C C 97 175.041 175.041 175.265 -0.224 26047 7222 1 15 . 1 1 97 97 LEU CA C 97 52.832 52.832 54.064 -1.232 26047 7223 1 15 . 1 1 97 97 LEU CB C 97 46.391 46.391 45.312 1.079 26047 7224 1 15 . 1 1 97 97 LEU H H 97 8.725 8.725 8.990 -0.265 26047 7225 1 15 . 1 1 98 98 VAL N N 98 121.081 121.081 119.120 1.961 26047 7226 1 15 . 1 1 98 98 VAL HA H 98 5.215 5.215 4.520 0.695 26047 7227 1 15 . 1 1 98 98 VAL C C 98 175.150 175.150 174.518 0.632 26047 7228 1 15 . 1 1 98 98 VAL CA C 98 60.662 60.662 61.593 -0.931 26047 7229 1 15 . 1 1 98 98 VAL CB C 98 34.355 34.355 33.884 0.471 26047 7230 1 15 . 1 1 98 98 VAL H H 98 8.692 8.692 8.539 0.153 26047 7231 1 15 . 1 1 99 99 PHE N N 99 123.638 123.638 125.704 -2.066 26047 7232 1 15 . 1 1 99 99 PHE HA H 99 5.754 5.754 5.636 0.118 26047 7233 1 15 . 1 1 99 99 PHE C C 99 174.328 174.328 174.105 0.223 26047 7234 1 15 . 1 1 99 99 PHE CA C 99 55.196 55.196 56.578 -1.382 26047 7235 1 15 . 1 1 99 99 PHE CB C 99 43.396 43.396 43.824 -0.428 26047 7236 1 15 . 1 1 99 99 PHE H H 99 9.724 9.724 9.246 0.478 26047 7237 1 15 . 1 1 100 100 ASP N N 100 124.358 124.358 124.719 -0.361 26047 7238 1 15 . 1 1 100 100 ASP HA H 100 5.164 5.164 5.034 0.130 26047 7239 1 15 . 1 1 100 100 ASP C C 100 176.946 176.946 175.263 1.683 26047 7240 1 15 . 1 1 100 100 ASP CA C 100 52.778 52.778 53.141 -0.363 26047 7241 1 15 . 1 1 100 100 ASP CB C 100 42.320 42.320 43.446 -1.126 26047 7242 1 15 . 1 1 100 100 ASP H H 100 8.775 8.775 8.561 0.214 26047 7243 1 15 . 1 1 101 101 VAL N N 101 126.428 126.428 121.462 4.966 26047 7244 1 15 . 1 1 101 101 VAL HA H 101 5.057 5.057 5.561 -0.504 26047 7245 1 15 . 1 1 101 101 VAL C C 101 172.620 172.620 174.150 -1.530 26047 7246 1 15 . 1 1 101 101 VAL CA C 101 61.041 61.041 58.560 2.481 26047 7247 1 15 . 1 1 101 101 VAL CB C 101 35.481 35.481 34.238 1.243 26047 7248 1 15 . 1 1 101 101 VAL H H 101 9.513 9.513 7.721 1.792 26047 7249 1 15 . 1 1 102 102 GLU N N 102 128.393 128.393 120.438 7.955 26047 7250 1 15 . 1 1 102 102 GLU HA H 102 5.392 5.392 4.877 0.515 26047 7251 1 15 . 1 1 102 102 GLU C C 102 175.174 175.174 175.019 0.155 26047 7252 1 15 . 1 1 102 102 GLU CA C 102 53.979 53.979 53.911 0.068 26047 7253 1 15 . 1 1 102 102 GLU CB C 102 33.852 33.852 32.622 1.230 26047 7254 1 15 . 1 1 102 102 GLU H H 102 9.285 9.285 8.147 1.138 26047 7255 1 15 . 1 1 103 103 LEU N N 103 128.290 128.290 125.712 2.578 26047 7256 1 15 . 1 1 103 103 LEU HA H 103 4.671 4.671 4.322 0.349 26047 7257 1 15 . 1 1 103 103 LEU C C 103 174.266 174.266 175.854 -1.588 26047 7258 1 15 . 1 1 103 103 LEU CA C 103 54.356 54.356 54.687 -0.331 26047 7259 1 15 . 1 1 103 103 LEU CB C 103 41.465 41.465 40.550 0.915 26047 7260 1 15 . 1 1 103 103 LEU H H 103 8.613 8.613 8.764 -0.151 26047 7261 1 16 . 1 1 -2 -2 PRO HA H -2 4.485 4.485 4.820 -0.335 26047 7262 1 16 . 1 1 -2 -2 PRO C C -2 176.570 176.570 176.390 0.180 26047 7263 1 16 . 1 1 -2 -2 PRO CA C -2 63.243 63.243 62.711 0.532 26047 7264 1 16 . 1 1 -2 -2 PRO CB C -2 32.290 32.290 32.901 -0.611 26047 7265 1 16 . 1 1 -1 -1 SER N N -1 116.659 116.659 116.890 -0.231 26047 7266 1 16 . 1 1 -1 -1 SER HA H -1 4.422 4.422 4.503 -0.081 26047 7267 1 16 . 1 1 -1 -1 SER C C -1 174.384 174.384 174.222 0.162 26047 7268 1 16 . 1 1 -1 -1 SER CA C -1 58.230 58.230 58.533 -0.303 26047 7269 1 16 . 1 1 -1 -1 SER CB C -1 63.838 63.838 64.057 -0.219 26047 7270 1 16 . 1 1 -1 -1 SER H H -1 8.542 8.542 8.613 -0.071 26047 7271 1 16 . 1 1 0 0 MET N N 0 122.115 122.115 121.091 1.024 26047 7272 1 16 . 1 1 0 0 MET HA H 0 4.441 4.441 4.732 -0.291 26047 7273 1 16 . 1 1 0 0 MET C C 0 176.182 176.182 176.340 -0.158 26047 7274 1 16 . 1 1 0 0 MET CA C 0 55.346 55.346 54.749 0.597 26047 7275 1 16 . 1 1 0 0 MET CB C 0 33.248 33.248 34.384 -1.136 26047 7276 1 16 . 1 1 0 0 MET H H 0 8.356 8.356 7.873 0.483 26047 7277 1 16 . 1 1 1 1 GLY N N 1 110.724 110.724 108.687 2.037 26047 7278 1 16 . 1 1 1 1 GLY C C 1 172.468 172.468 173.389 -0.921 26047 7279 1 16 . 1 1 1 1 GLY CA C 1 45.585 45.585 45.117 0.467 26047 7280 1 16 . 1 1 1 1 GLY H H 1 8.157 8.157 8.300 -0.143 26047 7281 1 16 . 1 1 2 2 VAL N N 2 117.765 117.765 119.269 -1.504 26047 7282 1 16 . 1 1 2 2 VAL HA H 2 4.889 4.889 5.214 -0.325 26047 7283 1 16 . 1 1 2 2 VAL C C 2 173.396 173.396 174.288 -0.892 26047 7284 1 16 . 1 1 2 2 VAL CA C 2 59.731 59.731 59.938 -0.207 26047 7285 1 16 . 1 1 2 2 VAL CB C 2 34.600 34.600 33.623 0.977 26047 7286 1 16 . 1 1 2 2 VAL H H 2 7.471 7.471 7.248 0.223 26047 7287 1 16 . 1 1 3 3 GLN N N 3 126.962 126.962 128.487 -1.525 26047 7288 1 16 . 1 1 3 3 GLN HA H 3 4.686 4.686 4.605 0.081 26047 7289 1 16 . 1 1 3 3 GLN C C 3 174.658 174.658 174.563 0.095 26047 7290 1 16 . 1 1 3 3 GLN CA C 3 54.379 54.379 54.883 -0.504 26047 7291 1 16 . 1 1 3 3 GLN CB C 3 31.669 31.669 31.128 0.541 26047 7292 1 16 . 1 1 3 3 GLN H H 3 8.514 8.514 8.213 0.301 26047 7293 1 16 . 1 1 4 4 VAL N N 4 125.396 125.396 125.374 0.022 26047 7294 1 16 . 1 1 4 4 VAL HA H 4 4.520 4.520 4.318 0.202 26047 7295 1 16 . 1 1 4 4 VAL C C 4 175.411 175.411 175.592 -0.181 26047 7296 1 16 . 1 1 4 4 VAL CA C 4 61.993 61.993 61.835 0.158 26047 7297 1 16 . 1 1 4 4 VAL CB C 4 33.355 33.355 33.010 0.346 26047 7298 1 16 . 1 1 4 4 VAL H H 4 8.823 8.823 8.701 0.122 26047 7299 1 16 . 1 1 5 5 GLU N N 5 128.706 128.706 128.891 -0.185 26047 7300 1 16 . 1 1 5 5 GLU HA H 5 4.782 4.782 4.649 0.134 26047 7301 1 16 . 1 1 5 5 GLU C C 5 175.830 175.830 175.718 0.112 26047 7302 1 16 . 1 1 5 5 GLU CA C 5 54.451 54.451 54.471 -0.020 26047 7303 1 16 . 1 1 5 5 GLU CB C 5 32.818 32.818 31.063 1.755 26047 7304 1 16 . 1 1 5 5 GLU H H 5 9.024 9.024 8.699 0.325 26047 7305 1 16 . 1 1 6 6 THR N N 6 124.408 124.408 120.170 4.238 26047 7306 1 16 . 1 1 6 6 THR HA H 6 3.898 3.898 4.289 -0.391 26047 7307 1 16 . 1 1 6 6 THR C C 6 173.675 173.675 174.011 -0.336 26047 7308 1 16 . 1 1 6 6 THR CA C 6 66.715 66.715 63.518 3.197 26047 7309 1 16 . 1 1 6 6 THR CB C 6 68.934 68.934 69.259 -0.325 26047 7310 1 16 . 1 1 6 6 THR H H 6 9.173 9.173 8.680 0.493 26047 7311 1 16 . 1 1 7 7 ILE N N 7 129.476 129.476 127.065 2.411 26047 7312 1 16 . 1 1 7 7 ILE HA H 7 4.071 4.071 4.297 -0.226 26047 7313 1 16 . 1 1 7 7 ILE C C 7 175.768 175.768 176.425 -0.657 26047 7314 1 16 . 1 1 7 7 ILE CA C 7 63.285 63.285 61.987 1.298 26047 7315 1 16 . 1 1 7 7 ILE CB C 7 39.659 39.659 39.450 0.209 26047 7316 1 16 . 1 1 7 7 ILE H H 7 9.329 9.329 8.969 0.360 26047 7317 1 16 . 1 1 8 8 SER N N 8 114.774 114.774 115.760 -0.986 26047 7318 1 16 . 1 1 8 8 SER HA H 8 4.987 4.987 4.952 0.035 26047 7319 1 16 . 1 1 8 8 SER C C 8 171.895 171.895 172.332 -0.437 26047 7320 1 16 . 1 1 8 8 SER CA C 8 55.577 55.577 54.803 0.774 26047 7321 1 16 . 1 1 8 8 SER CB C 8 64.384 64.384 64.538 -0.154 26047 7322 1 16 . 1 1 8 8 SER H H 8 8.300 8.300 8.040 0.260 26047 7323 1 16 . 1 1 9 9 PRO HA H 9 4.331 4.331 4.616 -0.285 26047 7324 1 16 . 1 1 9 9 PRO C C 9 177.628 177.628 176.564 1.064 26047 7325 1 16 . 1 1 9 9 PRO CA C 9 63.646 63.646 62.600 1.046 26047 7326 1 16 . 1 1 9 9 PRO CB C 9 32.910 32.910 32.351 0.559 26047 7327 1 16 . 1 1 10 10 GLY N N 10 107.910 107.910 112.438 -4.528 26047 7328 1 16 . 1 1 10 10 GLY C C 10 174.203 174.203 174.122 0.081 26047 7329 1 16 . 1 1 10 10 GLY CA C 10 44.176 44.176 45.057 -0.881 26047 7330 1 16 . 1 1 10 10 GLY H H 10 8.464 8.464 8.122 0.342 26047 7331 1 16 . 1 1 11 11 ASP N N 11 118.911 118.911 121.390 -2.479 26047 7332 1 16 . 1 1 11 11 ASP HA H 11 4.289 4.289 4.549 -0.260 26047 7333 1 16 . 1 1 11 11 ASP C C 11 178.317 178.317 177.340 0.977 26047 7334 1 16 . 1 1 11 11 ASP CA C 11 54.629 54.629 55.275 -0.646 26047 7335 1 16 . 1 1 11 11 ASP CB C 11 39.382 39.382 42.110 -2.728 26047 7336 1 16 . 1 1 11 11 ASP H H 11 8.049 8.049 8.056 -0.007 26047 7337 1 16 . 1 1 12 12 GLY N N 12 108.262 108.262 107.400 0.862 26047 7338 1 16 . 1 1 12 12 GLY C C 12 173.279 173.279 174.395 -1.116 26047 7339 1 16 . 1 1 12 12 GLY CA C 12 46.049 46.049 45.881 0.168 26047 7340 1 16 . 1 1 12 12 GLY H H 12 8.719 8.719 8.110 0.609 26047 7341 1 16 . 1 1 13 13 ARG N N 13 117.671 117.671 116.940 0.731 26047 7342 1 16 . 1 1 13 13 ARG HA H 13 4.709 4.709 4.660 0.049 26047 7343 1 16 . 1 1 13 13 ARG C C 13 175.038 175.038 174.837 0.201 26047 7344 1 16 . 1 1 13 13 ARG CA C 13 56.794 56.794 55.726 1.068 26047 7345 1 16 . 1 1 13 13 ARG CB C 13 34.416 34.416 31.575 2.841 26047 7346 1 16 . 1 1 13 13 ARG H H 13 8.539 8.539 8.023 0.516 26047 7347 1 16 . 1 1 14 14 THR N N 14 125.323 125.323 118.167 7.156 26047 7348 1 16 . 1 1 14 14 THR HA H 14 4.205 4.205 4.616 -0.411 26047 7349 1 16 . 1 1 14 14 THR C C 14 172.353 172.353 172.840 -0.487 26047 7350 1 16 . 1 1 14 14 THR CA C 14 62.060 62.060 61.816 0.244 26047 7351 1 16 . 1 1 14 14 THR CB C 14 66.395 66.395 68.983 -2.588 26047 7352 1 16 . 1 1 14 14 THR H H 14 10.197 10.197 7.592 2.605 26047 7353 1 16 . 1 1 15 15 PHE N N 15 124.865 124.865 126.335 -1.470 26047 7354 1 16 . 1 1 15 15 PHE HA H 15 5.232 5.232 5.078 0.154 26047 7355 1 16 . 1 1 15 15 PHE C C 15 174.388 174.388 174.736 -0.348 26047 7356 1 16 . 1 1 15 15 PHE CA C 15 54.495 54.495 55.047 -0.552 26047 7357 1 16 . 1 1 15 15 PHE CB C 15 39.883 39.883 39.462 0.421 26047 7358 1 16 . 1 1 15 15 PHE H H 15 8.086 8.086 8.627 -0.541 26047 7359 1 16 . 1 1 19 19 GLY N N 19 112.901 112.901 112.314 0.587 26047 7360 1 16 . 1 1 19 19 GLY C C 19 174.204 174.204 173.098 1.106 26047 7361 1 16 . 1 1 19 19 GLY CA C 19 44.943 44.943 45.061 -0.118 26047 7362 1 16 . 1 1 19 19 GLY H H 19 8.682 8.682 8.465 0.217 26047 7363 1 16 . 1 1 20 20 GLN N N 20 118.698 118.698 119.756 -1.058 26047 7364 1 16 . 1 1 20 20 GLN HA H 20 4.497 4.497 4.571 -0.074 26047 7365 1 16 . 1 1 20 20 GLN C C 20 174.974 174.974 175.023 -0.049 26047 7366 1 16 . 1 1 20 20 GLN CA C 20 56.335 56.335 54.565 1.770 26047 7367 1 16 . 1 1 20 20 GLN CB C 20 30.891 30.891 29.603 1.288 26047 7368 1 16 . 1 1 20 20 GLN H H 20 8.103 8.103 7.939 0.164 26047 7369 1 16 . 1 1 21 21 THR N N 21 119.715 119.715 116.094 3.621 26047 7370 1 16 . 1 1 21 21 THR HA H 21 4.457 4.457 4.683 -0.226 26047 7371 1 16 . 1 1 21 21 THR C C 21 173.797 173.797 174.236 -0.439 26047 7372 1 16 . 1 1 21 21 THR CA C 21 63.067 63.067 61.852 1.215 26047 7373 1 16 . 1 1 21 21 THR CB C 21 68.825 68.825 69.633 -0.808 26047 7374 1 16 . 1 1 21 21 THR H H 21 8.729 8.729 8.423 0.306 26047 7375 1 16 . 1 1 22 22 CYS N N 22 126.008 126.008 125.205 0.803 26047 7376 1 16 . 1 1 22 22 CYS HA H 22 4.269 4.269 4.659 -0.390 26047 7377 1 16 . 1 1 22 22 CYS C C 22 172.458 172.458 173.211 -0.753 26047 7378 1 16 . 1 1 22 22 CYS CA C 22 58.011 58.011 57.094 0.916 26047 7379 1 16 . 1 1 22 22 CYS CB C 22 28.794 28.794 28.219 0.575 26047 7380 1 16 . 1 1 22 22 CYS H H 22 8.826 8.826 8.495 0.331 26047 7381 1 16 . 1 1 23 23 VAL N N 23 123.456 123.456 130.623 -7.167 26047 7382 1 16 . 1 1 23 23 VAL HA H 23 4.595 4.595 4.339 0.256 26047 7383 1 16 . 1 1 23 23 VAL C C 23 175.899 175.899 174.902 0.997 26047 7384 1 16 . 1 1 23 23 VAL CA C 23 61.411 61.411 62.664 -1.253 26047 7385 1 16 . 1 1 23 23 VAL CB C 23 31.277 31.277 31.423 -0.146 26047 7386 1 16 . 1 1 23 23 VAL H H 23 8.063 8.063 8.795 -0.732 26047 7387 1 16 . 1 1 24 24 VAL N N 24 118.126 118.126 121.348 -3.222 26047 7388 1 16 . 1 1 24 24 VAL HA H 24 5.852 5.852 5.001 0.851 26047 7389 1 16 . 1 1 24 24 VAL C C 24 175.589 175.589 174.341 1.248 26047 7390 1 16 . 1 1 24 24 VAL CA C 24 57.962 57.962 59.475 -1.513 26047 7391 1 16 . 1 1 24 24 VAL CB C 24 35.885 35.885 35.822 0.063 26047 7392 1 16 . 1 1 24 24 VAL H H 24 9.620 9.620 8.866 0.754 26047 7393 1 16 . 1 1 25 25 HIS N N 25 118.824 118.824 123.117 -4.293 26047 7394 1 16 . 1 1 25 25 HIS HA H 25 5.865 5.865 5.015 0.850 26047 7395 1 16 . 1 1 25 25 HIS C C 25 176.663 176.663 174.239 2.424 26047 7396 1 16 . 1 1 25 25 HIS CA C 25 54.463 54.463 55.339 -0.876 26047 7397 1 16 . 1 1 25 25 HIS CB C 25 35.454 35.454 32.029 3.425 26047 7398 1 16 . 1 1 25 25 HIS H H 25 8.579 8.579 8.342 0.237 26047 7399 1 16 . 1 1 26 26 TYR N N 26 118.524 118.524 122.959 -4.435 26047 7400 1 16 . 1 1 26 26 TYR HA H 26 6.441 6.441 5.600 0.841 26047 7401 1 16 . 1 1 26 26 TYR C C 26 173.864 173.864 174.844 -0.980 26047 7402 1 16 . 1 1 26 26 TYR CA C 26 55.934 55.934 55.061 0.873 26047 7403 1 16 . 1 1 26 26 TYR CB C 26 44.380 44.380 40.873 3.506 26047 7404 1 16 . 1 1 26 26 TYR H H 26 9.937 9.937 8.529 1.408 26047 7405 1 16 . 1 1 27 27 THR N N 27 117.098 117.098 115.955 1.143 26047 7406 1 16 . 1 1 27 27 THR HA H 27 4.482 4.482 4.697 -0.215 26047 7407 1 16 . 1 1 27 27 THR C C 27 172.648 172.648 173.524 -0.876 26047 7408 1 16 . 1 1 27 27 THR CA C 27 63.163 63.163 61.926 1.237 26047 7409 1 16 . 1 1 27 27 THR CB C 27 72.324 72.324 70.800 1.524 26047 7410 1 16 . 1 1 27 27 THR H H 27 8.716 8.716 8.582 0.134 26047 7411 1 16 . 1 1 28 28 GLY N N 28 115.590 115.590 113.468 2.122 26047 7412 1 16 . 1 1 28 28 GLY C C 28 171.083 171.083 171.308 -0.225 26047 7413 1 16 . 1 1 28 28 GLY CA C 28 45.419 45.419 43.293 2.126 26047 7414 1 16 . 1 1 28 28 GLY H H 28 9.316 9.316 9.305 0.011 26047 7415 1 16 . 1 1 29 29 MET N N 29 125.723 125.723 124.457 1.266 26047 7416 1 16 . 1 1 29 29 MET HA H 29 5.251 5.251 4.605 0.646 26047 7417 1 16 . 1 1 29 29 MET C C 29 175.508 175.508 175.568 -0.060 26047 7418 1 16 . 1 1 29 29 MET CA C 29 54.221 54.221 54.161 0.060 26047 7419 1 16 . 1 1 29 29 MET CB C 29 37.913 37.913 36.614 1.299 26047 7420 1 16 . 1 1 29 29 MET H H 29 9.192 9.192 8.811 0.381 26047 7421 1 16 . 1 1 30 30 LEU N N 30 119.150 119.150 123.704 -4.554 26047 7422 1 16 . 1 1 30 30 LEU HA H 30 4.772 4.772 4.242 0.530 26047 7423 1 16 . 1 1 30 30 LEU C C 30 179.278 179.278 178.731 0.547 26047 7424 1 16 . 1 1 30 30 LEU CA C 30 54.169 54.169 55.950 -1.781 26047 7425 1 16 . 1 1 30 30 LEU CB C 30 41.634 41.634 42.633 -0.999 26047 7426 1 16 . 1 1 30 30 LEU H H 30 8.433 8.433 8.822 -0.389 26047 7427 1 16 . 1 1 31 31 GLU N N 31 120.636 120.636 121.055 -0.419 26047 7428 1 16 . 1 1 31 31 GLU HA H 31 3.816 3.816 4.009 -0.193 26047 7429 1 16 . 1 1 31 31 GLU C C 31 176.568 176.568 177.388 -0.820 26047 7430 1 16 . 1 1 31 31 GLU CA C 31 59.788 59.788 59.215 0.573 26047 7431 1 16 . 1 1 31 31 GLU CB C 31 29.883 29.883 29.700 0.183 26047 7432 1 16 . 1 1 31 31 GLU H H 31 9.110 9.110 9.027 0.083 26047 7433 1 16 . 1 1 32 32 ASP N N 32 115.429 115.429 115.261 0.168 26047 7434 1 16 . 1 1 32 32 ASP HA H 32 4.420 4.420 4.701 -0.281 26047 7435 1 16 . 1 1 32 32 ASP C C 32 177.209 177.209 176.271 0.938 26047 7436 1 16 . 1 1 32 32 ASP CA C 32 53.556 53.556 54.423 -0.867 26047 7437 1 16 . 1 1 32 32 ASP CB C 32 40.030 40.030 41.543 -1.513 26047 7438 1 16 . 1 1 32 32 ASP H H 32 7.826 7.826 8.295 -0.469 26047 7439 1 16 . 1 1 37 37 ASP N N 37 118.871 118.871 122.129 -3.258 26047 7440 1 16 . 1 1 37 37 ASP HA H 37 4.827 4.827 4.954 -0.127 26047 7441 1 16 . 1 1 37 37 ASP C C 37 174.807 174.807 173.854 0.953 26047 7442 1 16 . 1 1 37 37 ASP CA C 37 54.739 54.739 54.784 -0.045 26047 7443 1 16 . 1 1 37 37 ASP CB C 37 44.386 44.386 44.467 -0.081 26047 7444 1 16 . 1 1 37 37 ASP H H 37 6.765 6.765 7.748 -0.983 26047 7445 1 16 . 1 1 38 38 SER N N 38 118.532 118.532 121.760 -3.228 26047 7446 1 16 . 1 1 38 38 SER HA H 38 4.581 4.581 4.805 -0.224 26047 7447 1 16 . 1 1 38 38 SER C C 38 174.967 174.967 174.466 0.501 26047 7448 1 16 . 1 1 38 38 SER CA C 38 57.033 57.033 57.386 -0.353 26047 7449 1 16 . 1 1 38 38 SER CB C 38 64.862 64.862 65.488 -0.626 26047 7450 1 16 . 1 1 38 38 SER H H 38 8.196 8.196 8.505 -0.309 26047 7451 1 16 . 1 1 39 39 SER N N 39 124.920 124.920 120.350 4.570 26047 7452 1 16 . 1 1 39 39 SER HA H 39 4.131 4.131 4.287 -0.156 26047 7453 1 16 . 1 1 39 39 SER C C 39 177.101 177.101 176.104 0.997 26047 7454 1 16 . 1 1 39 39 SER CA C 39 61.690 61.690 60.585 1.105 26047 7455 1 16 . 1 1 39 39 SER CB C 39 61.632 61.632 62.903 -1.271 26047 7456 1 16 . 1 1 39 39 SER H H 39 7.872 7.872 7.944 -0.072 26047 7457 1 16 . 1 1 40 40 ARG N N 40 124.309 124.309 120.355 3.954 26047 7458 1 16 . 1 1 40 40 ARG HA H 40 3.607 3.607 4.329 -0.722 26047 7459 1 16 . 1 1 40 40 ARG C C 40 179.844 179.844 178.413 1.431 26047 7460 1 16 . 1 1 40 40 ARG CA C 40 58.859 58.859 58.371 0.488 26047 7461 1 16 . 1 1 40 40 ARG CB C 40 28.763 28.763 29.539 -0.776 26047 7462 1 16 . 1 1 40 40 ARG H H 40 7.617 7.617 7.789 -0.172 26047 7463 1 16 . 1 1 41 41 ASP N N 41 118.394 118.394 120.623 -2.229 26047 7464 1 16 . 1 1 41 41 ASP HA H 41 4.314 4.314 4.458 -0.144 26047 7465 1 16 . 1 1 41 41 ASP C C 41 176.750 176.750 177.204 -0.454 26047 7466 1 16 . 1 1 41 41 ASP CA C 41 56.536 56.536 56.925 -0.389 26047 7467 1 16 . 1 1 41 41 ASP CB C 41 40.095 40.095 40.317 -0.222 26047 7468 1 16 . 1 1 41 41 ASP H H 41 7.079 7.079 8.573 -1.494 26047 7469 1 16 . 1 1 42 42 ARG N N 42 115.037 115.037 116.987 -1.950 26047 7470 1 16 . 1 1 42 42 ARG HA H 42 4.431 4.431 4.397 0.034 26047 7471 1 16 . 1 1 42 42 ARG C C 42 175.430 175.430 175.663 -0.233 26047 7472 1 16 . 1 1 42 42 ARG CA C 42 56.099 56.099 55.846 0.253 26047 7473 1 16 . 1 1 42 42 ARG CB C 42 31.577 31.577 30.405 1.171 26047 7474 1 16 . 1 1 42 42 ARG H H 42 6.859 6.859 7.875 -1.016 26047 7475 1 16 . 1 1 49 49 MET N N 49 123.105 123.105 120.081 3.024 26047 7476 1 16 . 1 1 49 49 MET HA H 49 4.681 4.681 5.103 -0.422 26047 7477 1 16 . 1 1 49 49 MET C C 49 176.492 176.492 175.368 1.124 26047 7478 1 16 . 1 1 49 49 MET CA C 49 54.487 54.487 54.258 0.229 26047 7479 1 16 . 1 1 49 49 MET CB C 49 33.755 33.755 34.591 -0.836 26047 7480 1 16 . 1 1 49 49 MET H H 49 9.261 9.261 8.642 0.619 26047 7481 1 16 . 1 1 50 50 LEU N N 50 131.689 131.689 123.980 7.709 26047 7482 1 16 . 1 1 50 50 LEU HA H 50 4.210 4.210 4.672 -0.462 26047 7483 1 16 . 1 1 50 50 LEU C C 50 177.825 177.825 178.093 -0.268 26047 7484 1 16 . 1 1 50 50 LEU CA C 50 57.249 57.249 54.328 2.921 26047 7485 1 16 . 1 1 50 50 LEU CB C 50 41.752 41.752 41.703 0.049 26047 7486 1 16 . 1 1 50 50 LEU H H 50 8.633 8.633 7.815 0.818 26047 7487 1 16 . 1 1 54 54 GLU N N 54 117.417 117.417 119.670 -2.253 26047 7488 1 16 . 1 1 54 54 GLU HA H 54 4.220 4.220 4.249 -0.029 26047 7489 1 16 . 1 1 54 54 GLU C C 54 176.221 176.221 175.978 0.243 26047 7490 1 16 . 1 1 54 54 GLU CA C 54 57.447 57.447 57.864 -0.416 26047 7491 1 16 . 1 1 54 54 GLU CB C 54 31.200 31.200 30.464 0.736 26047 7492 1 16 . 1 1 54 54 GLU H H 54 9.389 9.389 8.873 0.516 26047 7493 1 16 . 1 1 55 55 VAL N N 55 108.426 108.426 113.391 -4.965 26047 7494 1 16 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.203 0.111 26047 7495 1 16 . 1 1 55 55 VAL C C 55 175.226 175.226 174.676 0.550 26047 7496 1 16 . 1 1 55 55 VAL CA C 55 57.461 57.461 59.394 -1.933 26047 7497 1 16 . 1 1 55 55 VAL CB C 55 35.557 35.557 33.979 1.578 26047 7498 1 16 . 1 1 55 55 VAL H H 55 6.820 6.820 7.275 -0.455 26047 7499 1 16 . 1 1 56 56 ILE N N 56 111.618 111.618 113.826 -2.208 26047 7500 1 16 . 1 1 56 56 ILE HA H 56 3.853 3.853 4.089 -0.236 26047 7501 1 16 . 1 1 56 56 ILE C C 56 177.344 177.344 176.317 1.027 26047 7502 1 16 . 1 1 56 56 ILE CA C 56 61.975 61.975 60.614 1.361 26047 7503 1 16 . 1 1 56 56 ILE CB C 56 38.342 38.342 38.112 0.230 26047 7504 1 16 . 1 1 56 56 ILE H H 56 7.404 7.404 7.383 0.021 26047 7505 1 16 . 1 1 57 57 ARG N N 57 124.436 124.436 123.728 0.708 26047 7506 1 16 . 1 1 57 57 ARG HA H 57 4.063 4.063 4.014 0.049 26047 7507 1 16 . 1 1 57 57 ARG C C 57 179.428 179.428 178.554 0.874 26047 7508 1 16 . 1 1 57 57 ARG CA C 57 59.838 59.838 59.680 0.158 26047 7509 1 16 . 1 1 57 57 ARG CB C 57 30.630 30.630 30.184 0.446 26047 7510 1 16 . 1 1 57 57 ARG H H 57 8.631 8.631 8.476 0.155 26047 7511 1 16 . 1 1 58 58 GLY N N 58 107.151 107.151 105.043 2.108 26047 7512 1 16 . 1 1 58 58 GLY C C 58 175.210 175.210 175.466 -0.256 26047 7513 1 16 . 1 1 58 58 GLY CA C 58 47.621 47.621 46.688 0.933 26047 7514 1 16 . 1 1 58 58 GLY H H 58 9.688 9.688 7.973 1.715 26047 7515 1 16 . 1 1 59 59 TRP N N 59 119.956 119.956 121.427 -1.471 26047 7516 1 16 . 1 1 59 59 TRP HA H 59 4.227 4.227 4.529 -0.302 26047 7517 1 16 . 1 1 59 59 TRP C C 59 177.529 177.529 178.622 -1.093 26047 7518 1 16 . 1 1 59 59 TRP CA C 59 59.681 59.681 58.580 1.101 26047 7519 1 16 . 1 1 59 59 TRP CB C 59 29.092 29.092 29.378 -0.286 26047 7520 1 16 . 1 1 59 59 TRP H H 59 7.534 7.534 7.501 0.033 26047 7521 1 16 . 1 1 60 60 GLU N N 60 118.374 118.374 118.996 -0.622 26047 7522 1 16 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.196 -0.306 26047 7523 1 16 . 1 1 60 60 GLU C C 60 178.377 178.377 179.317 -0.940 26047 7524 1 16 . 1 1 60 60 GLU CA C 60 61.081 61.081 59.979 1.102 26047 7525 1 16 . 1 1 60 60 GLU CB C 60 29.417 29.417 29.519 -0.102 26047 7526 1 16 . 1 1 60 60 GLU H H 60 7.275 7.275 8.033 -0.758 26047 7527 1 16 . 1 1 61 61 GLU N N 61 113.896 113.896 117.775 -3.879 26047 7528 1 16 . 1 1 61 61 GLU HA H 61 4.149 4.149 4.339 -0.190 26047 7529 1 16 . 1 1 61 61 GLU C C 61 179.320 179.320 178.300 1.020 26047 7530 1 16 . 1 1 61 61 GLU CA C 61 58.633 58.633 57.721 0.912 26047 7531 1 16 . 1 1 61 61 GLU CB C 61 29.872 29.872 29.874 -0.002 26047 7532 1 16 . 1 1 61 61 GLU H H 61 8.390 8.390 8.188 0.202 26047 7533 1 16 . 1 1 62 62 GLY N N 62 106.899 106.899 108.320 -1.421 26047 7534 1 16 . 1 1 62 62 GLY C C 62 174.585 174.585 176.228 -1.643 26047 7535 1 16 . 1 1 62 62 GLY CA C 62 47.194 47.194 46.305 0.889 26047 7536 1 16 . 1 1 62 62 GLY H H 62 7.932 7.932 7.746 0.186 26047 7537 1 16 . 1 1 63 63 VAL N N 63 120.730 120.730 122.690 -1.960 26047 7538 1 16 . 1 1 63 63 VAL HA H 63 3.927 3.927 3.875 0.052 26047 7539 1 16 . 1 1 63 63 VAL C C 63 177.334 177.334 177.454 -0.120 26047 7540 1 16 . 1 1 63 63 VAL CA C 63 65.419 65.419 64.148 1.271 26047 7541 1 16 . 1 1 63 63 VAL CB C 63 31.126 31.126 31.607 -0.481 26047 7542 1 16 . 1 1 63 63 VAL H H 63 8.688 8.688 8.567 0.121 26047 7543 1 16 . 1 1 64 64 ALA N N 64 117.132 117.132 120.611 -3.479 26047 7544 1 16 . 1 1 64 64 ALA HA H 64 4.014 4.014 4.319 -0.305 26047 7545 1 16 . 1 1 64 64 ALA C C 64 177.759 177.759 178.167 -0.408 26047 7546 1 16 . 1 1 64 64 ALA CA C 64 54.526 54.526 53.940 0.587 26047 7547 1 16 . 1 1 64 64 ALA CB C 64 18.715 18.715 18.482 0.233 26047 7548 1 16 . 1 1 64 64 ALA H H 64 7.160 7.160 8.072 -0.912 26047 7549 1 16 . 1 1 65 65 GLN N N 65 112.231 112.231 116.235 -4.004 26047 7550 1 16 . 1 1 65 65 GLN HA H 65 4.359 4.359 4.362 -0.003 26047 7551 1 16 . 1 1 65 65 GLN C C 65 175.568 175.568 175.902 -0.334 26047 7552 1 16 . 1 1 65 65 GLN CA C 65 55.459 55.459 56.058 -0.599 26047 7553 1 16 . 1 1 65 65 GLN CB C 65 30.028 30.028 29.558 0.470 26047 7554 1 16 . 1 1 65 65 GLN H H 65 7.143 7.143 7.862 -0.719 26047 7555 1 16 . 1 1 66 66 MET N N 66 122.412 122.412 117.915 4.497 26047 7556 1 16 . 1 1 66 66 MET HA H 66 4.788 4.788 4.832 -0.044 26047 7557 1 16 . 1 1 66 66 MET C C 66 172.467 172.467 175.169 -2.702 26047 7558 1 16 . 1 1 66 66 MET CA C 66 55.118 55.118 54.420 0.698 26047 7559 1 16 . 1 1 66 66 MET CB C 66 35.667 35.667 34.895 0.772 26047 7560 1 16 . 1 1 66 66 MET H H 66 7.965 7.965 7.479 0.486 26047 7561 1 16 . 1 1 67 67 SER N N 67 107.611 107.611 114.063 -6.452 26047 7562 1 16 . 1 1 67 67 SER HA H 67 4.833 4.833 4.418 0.415 26047 7563 1 16 . 1 1 67 67 SER C C 67 176.275 176.275 174.516 1.759 26047 7564 1 16 . 1 1 67 67 SER CA C 67 54.465 54.465 55.833 -1.368 26047 7565 1 16 . 1 1 67 67 SER CB C 67 65.982 65.982 65.045 0.937 26047 7566 1 16 . 1 1 67 67 SER H H 67 8.182 8.182 8.177 0.005 26047 7567 1 16 . 1 1 68 68 VAL N N 68 119.266 119.266 120.883 -1.617 26047 7568 1 16 . 1 1 68 68 VAL HA H 68 3.105 3.105 3.582 -0.477 26047 7569 1 16 . 1 1 68 68 VAL C C 68 176.390 176.390 176.755 -0.365 26047 7570 1 16 . 1 1 68 68 VAL CA C 68 67.074 67.074 64.986 2.088 26047 7571 1 16 . 1 1 68 68 VAL CB C 68 31.503 31.503 30.085 1.418 26047 7572 1 16 . 1 1 68 68 VAL H H 68 7.650 7.650 8.211 -0.561 26047 7573 1 16 . 1 1 69 69 GLY N N 69 116.900 116.900 114.703 2.197 26047 7574 1 16 . 1 1 69 69 GLY C C 69 173.934 173.934 173.767 0.167 26047 7575 1 16 . 1 1 69 69 GLY CA C 69 44.407 44.407 45.011 -0.604 26047 7576 1 16 . 1 1 69 69 GLY H H 69 8.855 8.855 8.734 0.121 26047 7577 1 16 . 1 1 70 70 GLN N N 70 123.210 123.210 120.621 2.589 26047 7578 1 16 . 1 1 70 70 GLN HA H 70 4.035 4.035 4.770 -0.735 26047 7579 1 16 . 1 1 70 70 GLN C C 70 173.663 173.663 174.423 -0.760 26047 7580 1 16 . 1 1 70 70 GLN CA C 70 55.788 55.788 54.740 1.048 26047 7581 1 16 . 1 1 70 70 GLN CB C 70 30.551 30.551 31.456 -0.905 26047 7582 1 16 . 1 1 70 70 GLN H H 70 8.607 8.607 7.921 0.686 26047 7583 1 16 . 1 1 71 71 ARG N N 71 124.586 124.586 126.178 -1.592 26047 7584 1 16 . 1 1 71 71 ARG HA H 71 5.660 5.660 4.842 0.818 26047 7585 1 16 . 1 1 71 71 ARG C C 71 175.582 175.582 173.982 1.600 26047 7586 1 16 . 1 1 71 71 ARG CA C 71 53.936 53.936 54.708 -0.772 26047 7587 1 16 . 1 1 71 71 ARG CB C 71 33.739 33.739 32.492 1.247 26047 7588 1 16 . 1 1 71 71 ARG H H 71 8.802 8.802 8.656 0.146 26047 7589 1 16 . 1 1 75 75 THR N N 75 121.856 121.856 121.287 0.569 26047 7590 1 16 . 1 1 75 75 THR HA H 75 5.052 5.052 4.716 0.336 26047 7591 1 16 . 1 1 75 75 THR C C 75 175.079 175.079 173.733 1.346 26047 7592 1 16 . 1 1 75 75 THR CA C 75 63.355 63.355 62.938 0.417 26047 7593 1 16 . 1 1 75 75 THR CB C 75 68.790 68.790 69.237 -0.447 26047 7594 1 16 . 1 1 75 75 THR H H 75 8.884 8.884 8.845 0.039 26047 7595 1 16 . 1 1 76 76 ILE N N 76 129.859 129.859 127.852 2.007 26047 7596 1 16 . 1 1 76 76 ILE HA H 76 4.680 4.680 4.646 0.034 26047 7597 1 16 . 1 1 76 76 ILE C C 76 173.943 173.943 175.540 -1.597 26047 7598 1 16 . 1 1 76 76 ILE CA C 76 60.898 60.898 58.459 2.439 26047 7599 1 16 . 1 1 76 76 ILE CB C 76 41.236 41.236 39.940 1.296 26047 7600 1 16 . 1 1 76 76 ILE H H 76 9.864 9.864 8.664 1.200 26047 7601 1 16 . 1 1 77 77 SER N N 77 123.243 123.243 119.998 3.245 26047 7602 1 16 . 1 1 77 77 SER HA H 77 4.732 4.732 5.088 -0.356 26047 7603 1 16 . 1 1 77 77 SER C C 77 173.647 173.647 174.107 -0.460 26047 7604 1 16 . 1 1 77 77 SER CA C 77 57.726 57.726 55.297 2.429 26047 7605 1 16 . 1 1 77 77 SER CB C 77 62.763 62.763 63.746 -0.983 26047 7606 1 16 . 1 1 77 77 SER H H 77 8.612 8.612 8.618 -0.006 26047 7607 1 16 . 1 1 78 78 PRO HA H 78 4.488 4.488 4.345 0.143 26047 7608 1 16 . 1 1 78 78 PRO C C 78 180.133 180.133 177.003 3.130 26047 7609 1 16 . 1 1 78 78 PRO CA C 78 65.828 65.828 65.041 0.787 26047 7610 1 16 . 1 1 78 78 PRO CB C 78 30.995 30.995 32.059 -1.064 26047 7611 1 16 . 1 1 79 79 ASP N N 79 115.934 115.934 115.815 0.119 26047 7612 1 16 . 1 1 79 79 ASP HA H 79 4.390 4.390 4.573 -0.183 26047 7613 1 16 . 1 1 79 79 ASP C C 79 176.810 176.810 177.350 -0.540 26047 7614 1 16 . 1 1 79 79 ASP CA C 79 56.159 56.159 56.502 -0.343 26047 7615 1 16 . 1 1 79 79 ASP CB C 79 39.361 39.361 41.118 -1.757 26047 7616 1 16 . 1 1 79 79 ASP H H 79 8.799 8.799 8.723 0.076 26047 7617 1 16 . 1 1 80 80 TYR N N 80 120.969 120.969 118.820 2.149 26047 7618 1 16 . 1 1 80 80 TYR HA H 80 4.377 4.377 4.441 -0.064 26047 7619 1 16 . 1 1 80 80 TYR C C 80 173.332 173.332 176.535 -3.203 26047 7620 1 16 . 1 1 80 80 TYR CA C 80 57.597 57.597 59.551 -1.954 26047 7621 1 16 . 1 1 80 80 TYR CB C 80 38.903 38.903 39.941 -1.038 26047 7622 1 16 . 1 1 80 80 TYR H H 80 8.116 8.116 7.780 0.336 26047 7623 1 16 . 1 1 81 81 ALA N N 81 125.669 125.669 122.768 2.901 26047 7624 1 16 . 1 1 81 81 ALA HA H 81 4.421 4.421 3.994 0.427 26047 7625 1 16 . 1 1 81 81 ALA C C 81 175.888 175.888 177.246 -1.358 26047 7626 1 16 . 1 1 81 81 ALA CA C 81 51.701 51.701 54.526 -2.825 26047 7627 1 16 . 1 1 81 81 ALA CB C 81 19.334 19.334 19.122 0.212 26047 7628 1 16 . 1 1 81 81 ALA H H 81 7.801 7.801 8.388 -0.587 26047 7629 1 16 . 1 1 82 82 TYR N N 82 122.080 122.080 114.788 7.292 26047 7630 1 16 . 1 1 82 82 TYR HA H 82 4.566 4.566 4.590 -0.024 26047 7631 1 16 . 1 1 82 82 TYR C C 82 176.653 176.653 176.476 0.177 26047 7632 1 16 . 1 1 82 82 TYR CA C 82 58.865 58.865 58.476 0.389 26047 7633 1 16 . 1 1 82 82 TYR CB C 82 37.995 37.995 41.739 -3.744 26047 7634 1 16 . 1 1 82 82 TYR H H 82 9.321 9.321 7.608 1.713 26047 7635 1 16 . 1 1 83 83 GLY N N 83 108.394 108.394 106.617 1.777 26047 7636 1 16 . 1 1 83 83 GLY C C 83 175.214 175.214 172.795 2.419 26047 7637 1 16 . 1 1 83 83 GLY CA C 83 46.827 46.827 45.349 1.478 26047 7638 1 16 . 1 1 83 83 GLY H H 83 8.535 8.535 7.920 0.615 26047 7639 1 16 . 1 1 84 84 ALA HA H 84 3.273 3.273 4.243 -0.970 26047 7640 1 16 . 1 1 84 84 ALA C C 84 177.536 177.536 177.944 -0.408 26047 7641 1 16 . 1 1 84 84 ALA CA C 84 53.514 53.514 53.587 -0.073 26047 7642 1 16 . 1 1 84 84 ALA CB C 84 19.318 19.318 19.042 0.276 26047 7643 1 16 . 1 1 85 85 THR N N 85 109.341 109.341 113.407 -4.066 26047 7644 1 16 . 1 1 85 85 THR HA H 85 4.038 4.038 4.224 -0.186 26047 7645 1 16 . 1 1 85 85 THR C C 85 177.149 177.149 175.138 2.011 26047 7646 1 16 . 1 1 85 85 THR CA C 85 64.040 64.040 62.243 1.797 26047 7647 1 16 . 1 1 85 85 THR CB C 85 69.466 69.466 69.648 -0.182 26047 7648 1 16 . 1 1 85 85 THR H H 85 7.927 7.927 7.974 -0.047 26047 7649 1 16 . 1 1 86 86 GLY N N 86 106.961 106.961 109.509 -2.548 26047 7650 1 16 . 1 1 86 86 GLY C C 86 171.567 171.567 172.820 -1.253 26047 7651 1 16 . 1 1 86 86 GLY CA C 86 45.151 45.151 44.521 0.630 26047 7652 1 16 . 1 1 86 86 GLY H H 86 7.341 7.341 7.660 -0.319 26047 7653 1 16 . 1 1 87 87 HIS N N 87 121.870 121.870 120.491 1.379 26047 7654 1 16 . 1 1 87 87 HIS HA H 87 4.967 4.967 4.657 0.310 26047 7655 1 16 . 1 1 87 87 HIS C C 87 172.750 172.750 173.646 -0.896 26047 7656 1 16 . 1 1 87 87 HIS CA C 87 53.029 53.029 52.635 0.394 26047 7657 1 16 . 1 1 87 87 HIS CB C 87 32.349 32.349 30.664 1.685 26047 7658 1 16 . 1 1 87 87 HIS H H 87 8.799 8.799 8.035 0.764 26047 7659 1 16 . 1 1 88 88 PRO HA H 88 4.132 4.132 4.300 -0.168 26047 7660 1 16 . 1 1 88 88 PRO C C 88 176.585 176.585 177.409 -0.824 26047 7661 1 16 . 1 1 88 88 PRO CA C 88 65.123 65.123 63.677 1.446 26047 7662 1 16 . 1 1 88 88 PRO CB C 88 31.851 31.851 31.727 0.124 26047 7663 1 16 . 1 1 89 89 GLY N N 89 113.445 113.445 113.321 0.124 26047 7664 1 16 . 1 1 89 89 GLY C C 89 174.030 174.030 174.738 -0.708 26047 7665 1 16 . 1 1 89 89 GLY CA C 89 45.251 45.251 45.133 0.117 26047 7666 1 16 . 1 1 89 89 GLY H H 89 8.571 8.571 8.694 -0.123 26047 7667 1 16 . 1 1 90 90 ILE N N 90 118.128 118.128 121.155 -3.027 26047 7668 1 16 . 1 1 90 90 ILE HA H 90 4.252 4.252 4.212 0.040 26047 7669 1 16 . 1 1 90 90 ILE C C 90 174.403 174.403 175.912 -1.509 26047 7670 1 16 . 1 1 90 90 ILE CA C 90 62.855 62.855 62.559 0.296 26047 7671 1 16 . 1 1 90 90 ILE CB C 90 41.565 41.565 38.977 2.588 26047 7672 1 16 . 1 1 90 90 ILE H H 90 8.103 8.103 7.640 0.463 26047 7673 1 16 . 1 1 91 91 ILE N N 91 119.444 119.444 120.348 -0.904 26047 7674 1 16 . 1 1 91 91 ILE HA H 91 4.506 4.506 4.333 0.173 26047 7675 1 16 . 1 1 91 91 ILE C C 91 174.345 174.345 173.823 0.522 26047 7676 1 16 . 1 1 91 91 ILE CA C 91 56.335 56.335 56.981 -0.646 26047 7677 1 16 . 1 1 91 91 ILE CB C 91 40.719 40.719 36.729 3.990 26047 7678 1 16 . 1 1 91 91 ILE H H 91 8.241 8.241 7.541 0.700 26047 7679 1 16 . 1 1 92 92 PRO HA H 92 4.717 4.717 4.689 0.028 26047 7680 1 16 . 1 1 92 92 PRO CB C 92 31.011 31.011 31.362 -0.351 26047 7681 1 16 . 1 1 93 93 PRO HA H 93 3.617 3.617 4.307 -0.690 26047 7682 1 16 . 1 1 93 93 PRO C C 93 175.714 175.714 176.975 -1.261 26047 7683 1 16 . 1 1 93 93 PRO CA C 93 63.618 63.618 63.098 0.520 26047 7684 1 16 . 1 1 93 93 PRO CB C 93 33.171 33.171 32.364 0.807 26047 7685 1 16 . 1 1 94 94 HIS N N 94 115.851 115.851 116.562 -0.711 26047 7686 1 16 . 1 1 94 94 HIS HA H 94 3.804 3.804 4.163 -0.359 26047 7687 1 16 . 1 1 94 94 HIS C C 94 173.821 173.821 173.751 0.070 26047 7688 1 16 . 1 1 94 94 HIS CA C 94 57.145 57.145 57.548 -0.403 26047 7689 1 16 . 1 1 94 94 HIS CB C 94 27.977 27.977 27.722 0.255 26047 7690 1 16 . 1 1 94 94 HIS H H 94 7.934 7.934 8.518 -0.584 26047 7691 1 16 . 1 1 95 95 ALA N N 95 122.072 122.072 120.713 1.359 26047 7692 1 16 . 1 1 95 95 ALA HA H 95 4.459 4.459 4.683 -0.224 26047 7693 1 16 . 1 1 95 95 ALA C C 95 177.246 177.246 175.640 1.606 26047 7694 1 16 . 1 1 95 95 ALA CA C 95 52.728 52.728 50.868 1.860 26047 7695 1 16 . 1 1 95 95 ALA CB C 95 20.567 20.567 21.903 -1.336 26047 7696 1 16 . 1 1 95 95 ALA H H 95 7.706 7.706 7.746 -0.040 26047 7697 1 16 . 1 1 96 96 THR N N 96 122.875 122.875 119.703 3.172 26047 7698 1 16 . 1 1 96 96 THR HA H 96 4.650 4.650 4.385 0.265 26047 7699 1 16 . 1 1 96 96 THR C C 96 173.818 173.818 173.797 0.021 26047 7700 1 16 . 1 1 96 96 THR CA C 96 63.778 63.778 63.479 0.299 26047 7701 1 16 . 1 1 96 96 THR CB C 96 69.588 69.588 69.779 -0.191 26047 7702 1 16 . 1 1 96 96 THR H H 96 8.448 8.448 8.204 0.244 26047 7703 1 16 . 1 1 97 97 LEU N N 97 124.809 124.809 124.942 -0.133 26047 7704 1 16 . 1 1 97 97 LEU HA H 97 5.110 5.110 4.746 0.364 26047 7705 1 16 . 1 1 97 97 LEU C C 97 175.041 175.041 175.333 -0.292 26047 7706 1 16 . 1 1 97 97 LEU CA C 97 52.832 52.832 53.868 -1.036 26047 7707 1 16 . 1 1 97 97 LEU CB C 97 46.391 46.391 45.620 0.771 26047 7708 1 16 . 1 1 97 97 LEU H H 97 8.725 8.725 8.963 -0.238 26047 7709 1 16 . 1 1 98 98 VAL N N 98 121.081 121.081 118.603 2.478 26047 7710 1 16 . 1 1 98 98 VAL HA H 98 5.215 5.215 4.529 0.686 26047 7711 1 16 . 1 1 98 98 VAL C C 98 175.150 175.150 174.461 0.689 26047 7712 1 16 . 1 1 98 98 VAL CA C 98 60.662 60.662 61.447 -0.784 26047 7713 1 16 . 1 1 98 98 VAL CB C 98 34.355 34.355 33.985 0.370 26047 7714 1 16 . 1 1 98 98 VAL H H 98 8.692 8.692 8.546 0.146 26047 7715 1 16 . 1 1 99 99 PHE N N 99 123.638 123.638 125.664 -2.026 26047 7716 1 16 . 1 1 99 99 PHE HA H 99 5.754 5.754 5.678 0.076 26047 7717 1 16 . 1 1 99 99 PHE C C 99 174.328 174.328 174.087 0.241 26047 7718 1 16 . 1 1 99 99 PHE CA C 99 55.196 55.196 56.343 -1.147 26047 7719 1 16 . 1 1 99 99 PHE CB C 99 43.396 43.396 43.512 -0.116 26047 7720 1 16 . 1 1 99 99 PHE H H 99 9.724 9.724 9.265 0.459 26047 7721 1 16 . 1 1 100 100 ASP N N 100 124.358 124.358 124.507 -0.149 26047 7722 1 16 . 1 1 100 100 ASP HA H 100 5.164 5.164 5.069 0.095 26047 7723 1 16 . 1 1 100 100 ASP C C 100 176.946 176.946 175.413 1.533 26047 7724 1 16 . 1 1 100 100 ASP CA C 100 52.778 52.778 53.272 -0.494 26047 7725 1 16 . 1 1 100 100 ASP CB C 100 42.320 42.320 43.190 -0.870 26047 7726 1 16 . 1 1 100 100 ASP H H 100 8.775 8.775 8.563 0.212 26047 7727 1 16 . 1 1 101 101 VAL N N 101 126.428 126.428 119.803 6.625 26047 7728 1 16 . 1 1 101 101 VAL HA H 101 5.057 5.057 5.491 -0.434 26047 7729 1 16 . 1 1 101 101 VAL C C 101 172.620 172.620 174.113 -1.493 26047 7730 1 16 . 1 1 101 101 VAL CA C 101 61.041 61.041 59.275 1.766 26047 7731 1 16 . 1 1 101 101 VAL CB C 101 35.481 35.481 34.197 1.284 26047 7732 1 16 . 1 1 101 101 VAL H H 101 9.513 9.513 7.695 1.818 26047 7733 1 16 . 1 1 102 102 GLU N N 102 128.393 128.393 120.446 7.947 26047 7734 1 16 . 1 1 102 102 GLU HA H 102 5.392 5.392 4.896 0.496 26047 7735 1 16 . 1 1 102 102 GLU C C 102 175.174 175.174 175.061 0.113 26047 7736 1 16 . 1 1 102 102 GLU CA C 102 53.979 53.979 53.760 0.219 26047 7737 1 16 . 1 1 102 102 GLU CB C 102 33.852 33.852 32.695 1.157 26047 7738 1 16 . 1 1 102 102 GLU H H 102 9.285 9.285 8.192 1.093 26047 7739 1 16 . 1 1 103 103 LEU N N 103 128.290 128.290 125.739 2.551 26047 7740 1 16 . 1 1 103 103 LEU HA H 103 4.671 4.671 4.320 0.351 26047 7741 1 16 . 1 1 103 103 LEU C C 103 174.266 174.266 175.863 -1.597 26047 7742 1 16 . 1 1 103 103 LEU CA C 103 54.356 54.356 54.682 -0.327 26047 7743 1 16 . 1 1 103 103 LEU CB C 103 41.465 41.465 40.542 0.923 26047 7744 1 16 . 1 1 103 103 LEU H H 103 8.613 8.613 8.792 -0.179 26047 7745 1 17 . 1 1 -2 -2 PRO HA H -2 4.485 4.485 4.941 -0.456 26047 7746 1 17 . 1 1 -2 -2 PRO C C -2 176.570 176.570 177.196 -0.626 26047 7747 1 17 . 1 1 -2 -2 PRO CA C -2 63.243 63.243 62.394 0.849 26047 7748 1 17 . 1 1 -2 -2 PRO CB C -2 32.290 32.290 34.302 -2.012 26047 7749 1 17 . 1 1 -1 -1 SER N N -1 116.659 116.659 114.518 2.141 26047 7750 1 17 . 1 1 -1 -1 SER HA H -1 4.422 4.422 4.548 -0.126 26047 7751 1 17 . 1 1 -1 -1 SER C C -1 174.384 174.384 174.942 -0.558 26047 7752 1 17 . 1 1 -1 -1 SER CA C -1 58.230 58.230 59.085 -0.855 26047 7753 1 17 . 1 1 -1 -1 SER CB C -1 63.838 63.838 63.703 0.135 26047 7754 1 17 . 1 1 -1 -1 SER H H -1 8.542 8.542 8.282 0.260 26047 7755 1 17 . 1 1 0 0 MET N N 0 122.115 122.115 120.806 1.309 26047 7756 1 17 . 1 1 0 0 MET HA H 0 4.441 4.441 4.634 -0.193 26047 7757 1 17 . 1 1 0 0 MET C C 0 176.182 176.182 175.978 0.204 26047 7758 1 17 . 1 1 0 0 MET CA C 0 55.346 55.346 55.281 0.065 26047 7759 1 17 . 1 1 0 0 MET CB C 0 33.248 33.248 34.048 -0.800 26047 7760 1 17 . 1 1 0 0 MET H H 0 8.356 8.356 7.799 0.557 26047 7761 1 17 . 1 1 1 1 GLY N N 1 110.724 110.724 110.435 0.289 26047 7762 1 17 . 1 1 1 1 GLY C C 1 172.468 172.468 172.614 -0.146 26047 7763 1 17 . 1 1 1 1 GLY CA C 1 45.585 45.585 44.937 0.648 26047 7764 1 17 . 1 1 1 1 GLY H H 1 8.157 8.157 7.971 0.186 26047 7765 1 17 . 1 1 2 2 VAL N N 2 117.765 117.765 120.093 -2.328 26047 7766 1 17 . 1 1 2 2 VAL HA H 2 4.889 4.889 5.170 -0.281 26047 7767 1 17 . 1 1 2 2 VAL C C 2 173.396 173.396 173.943 -0.547 26047 7768 1 17 . 1 1 2 2 VAL CA C 2 59.731 59.731 59.915 -0.184 26047 7769 1 17 . 1 1 2 2 VAL CB C 2 34.600 34.600 33.749 0.851 26047 7770 1 17 . 1 1 2 2 VAL H H 2 7.471 7.471 7.300 0.171 26047 7771 1 17 . 1 1 3 3 GLN N N 3 126.962 126.962 128.908 -1.946 26047 7772 1 17 . 1 1 3 3 GLN HA H 3 4.686 4.686 4.656 0.030 26047 7773 1 17 . 1 1 3 3 GLN C C 3 174.658 174.658 174.326 0.332 26047 7774 1 17 . 1 1 3 3 GLN CA C 3 54.379 54.379 54.823 -0.444 26047 7775 1 17 . 1 1 3 3 GLN CB C 3 31.669 31.669 30.997 0.673 26047 7776 1 17 . 1 1 3 3 GLN H H 3 8.514 8.514 8.206 0.308 26047 7777 1 17 . 1 1 4 4 VAL N N 4 125.396 125.396 124.282 1.114 26047 7778 1 17 . 1 1 4 4 VAL HA H 4 4.520 4.520 4.354 0.166 26047 7779 1 17 . 1 1 4 4 VAL C C 4 175.411 175.411 175.039 0.372 26047 7780 1 17 . 1 1 4 4 VAL CA C 4 61.993 61.993 61.116 0.877 26047 7781 1 17 . 1 1 4 4 VAL CB C 4 33.355 33.355 34.374 -1.019 26047 7782 1 17 . 1 1 4 4 VAL H H 4 8.823 8.823 8.590 0.233 26047 7783 1 17 . 1 1 5 5 GLU N N 5 128.706 128.706 128.889 -0.183 26047 7784 1 17 . 1 1 5 5 GLU HA H 5 4.782 4.782 4.654 0.128 26047 7785 1 17 . 1 1 5 5 GLU C C 5 175.830 175.830 175.411 0.419 26047 7786 1 17 . 1 1 5 5 GLU CA C 5 54.451 54.451 54.577 -0.126 26047 7787 1 17 . 1 1 5 5 GLU CB C 5 32.818 32.818 31.754 1.064 26047 7788 1 17 . 1 1 5 5 GLU H H 5 9.024 9.024 8.546 0.478 26047 7789 1 17 . 1 1 6 6 THR N N 6 124.408 124.408 120.024 4.384 26047 7790 1 17 . 1 1 6 6 THR HA H 6 3.898 3.898 4.238 -0.340 26047 7791 1 17 . 1 1 6 6 THR C C 6 173.675 173.675 174.174 -0.499 26047 7792 1 17 . 1 1 6 6 THR CA C 6 66.715 66.715 63.783 2.932 26047 7793 1 17 . 1 1 6 6 THR CB C 6 68.934 68.934 69.159 -0.225 26047 7794 1 17 . 1 1 6 6 THR H H 6 9.173 9.173 8.682 0.491 26047 7795 1 17 . 1 1 7 7 ILE N N 7 129.476 129.476 127.034 2.442 26047 7796 1 17 . 1 1 7 7 ILE HA H 7 4.071 4.071 4.303 -0.232 26047 7797 1 17 . 1 1 7 7 ILE C C 7 175.768 175.768 176.379 -0.611 26047 7798 1 17 . 1 1 7 7 ILE CA C 7 63.285 63.285 61.920 1.365 26047 7799 1 17 . 1 1 7 7 ILE CB C 7 39.659 39.659 39.314 0.345 26047 7800 1 17 . 1 1 7 7 ILE H H 7 9.329 9.329 9.055 0.274 26047 7801 1 17 . 1 1 8 8 SER N N 8 114.774 114.774 115.481 -0.707 26047 7802 1 17 . 1 1 8 8 SER HA H 8 4.987 4.987 4.963 0.024 26047 7803 1 17 . 1 1 8 8 SER C C 8 171.895 171.895 172.108 -0.213 26047 7804 1 17 . 1 1 8 8 SER CA C 8 55.577 55.577 54.742 0.835 26047 7805 1 17 . 1 1 8 8 SER CB C 8 64.384 64.384 64.709 -0.325 26047 7806 1 17 . 1 1 8 8 SER H H 8 8.300 8.300 8.002 0.298 26047 7807 1 17 . 1 1 9 9 PRO HA H 9 4.331 4.331 4.603 -0.272 26047 7808 1 17 . 1 1 9 9 PRO C C 9 177.628 177.628 176.725 0.903 26047 7809 1 17 . 1 1 9 9 PRO CA C 9 63.646 63.646 62.420 1.226 26047 7810 1 17 . 1 1 9 9 PRO CB C 9 32.910 32.910 32.801 0.109 26047 7811 1 17 . 1 1 10 10 GLY N N 10 107.910 107.910 112.333 -4.423 26047 7812 1 17 . 1 1 10 10 GLY C C 10 174.203 174.203 174.096 0.107 26047 7813 1 17 . 1 1 10 10 GLY CA C 10 44.176 44.176 45.070 -0.894 26047 7814 1 17 . 1 1 10 10 GLY H H 10 8.464 8.464 8.130 0.334 26047 7815 1 17 . 1 1 11 11 ASP N N 11 118.911 118.911 121.382 -2.471 26047 7816 1 17 . 1 1 11 11 ASP HA H 11 4.289 4.289 4.552 -0.263 26047 7817 1 17 . 1 1 11 11 ASP C C 11 178.317 178.317 177.340 0.977 26047 7818 1 17 . 1 1 11 11 ASP CA C 11 54.629 54.629 55.261 -0.632 26047 7819 1 17 . 1 1 11 11 ASP CB C 11 39.382 39.382 42.123 -2.741 26047 7820 1 17 . 1 1 11 11 ASP H H 11 8.049 8.049 8.048 0.001 26047 7821 1 17 . 1 1 12 12 GLY N N 12 108.262 108.262 107.410 0.852 26047 7822 1 17 . 1 1 12 12 GLY C C 12 173.279 173.279 174.397 -1.118 26047 7823 1 17 . 1 1 12 12 GLY CA C 12 46.049 46.049 45.882 0.167 26047 7824 1 17 . 1 1 12 12 GLY H H 12 8.719 8.719 8.111 0.608 26047 7825 1 17 . 1 1 13 13 ARG N N 13 117.671 117.671 116.949 0.722 26047 7826 1 17 . 1 1 13 13 ARG HA H 13 4.709 4.709 4.661 0.048 26047 7827 1 17 . 1 1 13 13 ARG C C 13 175.038 175.038 174.837 0.201 26047 7828 1 17 . 1 1 13 13 ARG CA C 13 56.794 56.794 55.727 1.067 26047 7829 1 17 . 1 1 13 13 ARG CB C 13 34.416 34.416 31.573 2.843 26047 7830 1 17 . 1 1 13 13 ARG H H 13 8.539 8.539 8.024 0.514 26047 7831 1 17 . 1 1 14 14 THR N N 14 125.323 125.323 118.175 7.148 26047 7832 1 17 . 1 1 14 14 THR HA H 14 4.205 4.205 4.618 -0.413 26047 7833 1 17 . 1 1 14 14 THR C C 14 172.353 172.353 172.840 -0.487 26047 7834 1 17 . 1 1 14 14 THR CA C 14 62.060 62.060 61.818 0.242 26047 7835 1 17 . 1 1 14 14 THR CB C 14 66.395 66.395 68.981 -2.586 26047 7836 1 17 . 1 1 14 14 THR H H 14 10.197 10.197 7.593 2.604 26047 7837 1 17 . 1 1 15 15 PHE N N 15 124.865 124.865 126.354 -1.489 26047 7838 1 17 . 1 1 15 15 PHE HA H 15 5.232 5.232 5.084 0.148 26047 7839 1 17 . 1 1 15 15 PHE C C 15 174.388 174.388 174.744 -0.356 26047 7840 1 17 . 1 1 15 15 PHE CA C 15 54.495 54.495 55.052 -0.557 26047 7841 1 17 . 1 1 15 15 PHE CB C 15 39.883 39.883 39.469 0.414 26047 7842 1 17 . 1 1 15 15 PHE H H 15 8.086 8.086 8.630 -0.544 26047 7843 1 17 . 1 1 19 19 GLY N N 19 112.901 112.901 112.540 0.361 26047 7844 1 17 . 1 1 19 19 GLY C C 19 174.204 174.204 173.246 0.958 26047 7845 1 17 . 1 1 19 19 GLY CA C 19 44.943 44.943 44.863 0.080 26047 7846 1 17 . 1 1 19 19 GLY H H 19 8.682 8.682 8.352 0.330 26047 7847 1 17 . 1 1 20 20 GLN N N 20 118.698 118.698 120.584 -1.886 26047 7848 1 17 . 1 1 20 20 GLN HA H 20 4.497 4.497 4.643 -0.145 26047 7849 1 17 . 1 1 20 20 GLN C C 20 174.974 174.974 174.924 0.050 26047 7850 1 17 . 1 1 20 20 GLN CA C 20 56.335 56.335 54.381 1.954 26047 7851 1 17 . 1 1 20 20 GLN CB C 20 30.891 30.891 29.632 1.259 26047 7852 1 17 . 1 1 20 20 GLN H H 20 8.103 8.103 8.019 0.084 26047 7853 1 17 . 1 1 21 21 THR N N 21 119.715 119.715 115.969 3.746 26047 7854 1 17 . 1 1 21 21 THR HA H 21 4.457 4.457 4.759 -0.302 26047 7855 1 17 . 1 1 21 21 THR C C 21 173.797 173.797 174.201 -0.404 26047 7856 1 17 . 1 1 21 21 THR CA C 21 63.067 63.067 62.083 0.984 26047 7857 1 17 . 1 1 21 21 THR CB C 21 68.825 68.825 69.464 -0.639 26047 7858 1 17 . 1 1 21 21 THR H H 21 8.729 8.729 8.411 0.318 26047 7859 1 17 . 1 1 22 22 CYS N N 22 126.008 126.008 125.206 0.802 26047 7860 1 17 . 1 1 22 22 CYS HA H 22 4.269 4.269 4.648 -0.379 26047 7861 1 17 . 1 1 22 22 CYS C C 22 172.458 172.458 173.127 -0.669 26047 7862 1 17 . 1 1 22 22 CYS CA C 22 58.011 58.011 56.615 1.395 26047 7863 1 17 . 1 1 22 22 CYS CB C 22 28.794 28.794 28.352 0.442 26047 7864 1 17 . 1 1 22 22 CYS H H 22 8.826 8.826 8.386 0.440 26047 7865 1 17 . 1 1 23 23 VAL N N 23 123.456 123.456 130.242 -6.786 26047 7866 1 17 . 1 1 23 23 VAL HA H 23 4.595 4.595 4.316 0.279 26047 7867 1 17 . 1 1 23 23 VAL C C 23 175.899 175.899 174.784 1.115 26047 7868 1 17 . 1 1 23 23 VAL CA C 23 61.411 61.411 62.269 -0.858 26047 7869 1 17 . 1 1 23 23 VAL CB C 23 31.277 31.277 30.931 0.346 26047 7870 1 17 . 1 1 23 23 VAL H H 23 8.063 8.063 8.772 -0.709 26047 7871 1 17 . 1 1 24 24 VAL N N 24 118.126 118.126 120.925 -2.799 26047 7872 1 17 . 1 1 24 24 VAL HA H 24 5.852 5.852 4.949 0.903 26047 7873 1 17 . 1 1 24 24 VAL C C 24 175.589 175.589 174.369 1.220 26047 7874 1 17 . 1 1 24 24 VAL CA C 24 57.962 57.962 59.777 -1.815 26047 7875 1 17 . 1 1 24 24 VAL CB C 24 35.885 35.885 36.327 -0.442 26047 7876 1 17 . 1 1 24 24 VAL H H 24 9.620 9.620 8.751 0.869 26047 7877 1 17 . 1 1 25 25 HIS N N 25 118.824 118.824 122.060 -3.236 26047 7878 1 17 . 1 1 25 25 HIS HA H 25 5.865 5.865 5.328 0.537 26047 7879 1 17 . 1 1 25 25 HIS C C 25 176.663 176.663 175.016 1.647 26047 7880 1 17 . 1 1 25 25 HIS CA C 25 54.463 54.463 55.363 -0.900 26047 7881 1 17 . 1 1 25 25 HIS CB C 25 35.454 35.454 31.738 3.716 26047 7882 1 17 . 1 1 25 25 HIS H H 25 8.579 8.579 8.284 0.295 26047 7883 1 17 . 1 1 26 26 TYR N N 26 118.524 118.524 123.516 -4.992 26047 7884 1 17 . 1 1 26 26 TYR HA H 26 6.441 6.441 5.641 0.800 26047 7885 1 17 . 1 1 26 26 TYR C C 26 173.864 173.864 174.759 -0.895 26047 7886 1 17 . 1 1 26 26 TYR CA C 26 55.934 55.934 55.155 0.779 26047 7887 1 17 . 1 1 26 26 TYR CB C 26 44.380 44.380 41.026 3.354 26047 7888 1 17 . 1 1 26 26 TYR H H 26 9.937 9.937 9.247 0.690 26047 7889 1 17 . 1 1 27 27 THR N N 27 117.098 117.098 114.678 2.420 26047 7890 1 17 . 1 1 27 27 THR HA H 27 4.482 4.482 4.459 0.023 26047 7891 1 17 . 1 1 27 27 THR C C 27 172.648 172.648 173.353 -0.705 26047 7892 1 17 . 1 1 27 27 THR CA C 27 63.163 63.163 62.033 1.130 26047 7893 1 17 . 1 1 27 27 THR CB C 27 72.324 72.324 70.130 2.194 26047 7894 1 17 . 1 1 27 27 THR H H 27 8.716 8.716 8.771 -0.055 26047 7895 1 17 . 1 1 28 28 GLY N N 28 115.590 115.590 114.108 1.482 26047 7896 1 17 . 1 1 28 28 GLY C C 28 171.083 171.083 171.495 -0.412 26047 7897 1 17 . 1 1 28 28 GLY CA C 28 45.419 45.419 43.495 1.924 26047 7898 1 17 . 1 1 28 28 GLY H H 28 9.316 9.316 8.624 0.692 26047 7899 1 17 . 1 1 29 29 MET N N 29 125.723 125.723 124.410 1.313 26047 7900 1 17 . 1 1 29 29 MET HA H 29 5.251 5.251 4.558 0.693 26047 7901 1 17 . 1 1 29 29 MET C C 29 175.508 175.508 175.520 -0.012 26047 7902 1 17 . 1 1 29 29 MET CA C 29 54.221 54.221 54.144 0.077 26047 7903 1 17 . 1 1 29 29 MET CB C 29 37.913 37.913 36.818 1.095 26047 7904 1 17 . 1 1 29 29 MET H H 29 9.192 9.192 8.760 0.432 26047 7905 1 17 . 1 1 30 30 LEU N N 30 119.150 119.150 123.428 -4.278 26047 7906 1 17 . 1 1 30 30 LEU HA H 30 4.772 4.772 4.235 0.537 26047 7907 1 17 . 1 1 30 30 LEU C C 30 179.278 179.278 178.722 0.556 26047 7908 1 17 . 1 1 30 30 LEU CA C 30 54.169 54.169 56.006 -1.837 26047 7909 1 17 . 1 1 30 30 LEU CB C 30 41.634 41.634 42.603 -0.969 26047 7910 1 17 . 1 1 30 30 LEU H H 30 8.433 8.433 8.795 -0.362 26047 7911 1 17 . 1 1 31 31 GLU N N 31 120.636 120.636 120.801 -0.165 26047 7912 1 17 . 1 1 31 31 GLU HA H 31 3.816 3.816 4.007 -0.191 26047 7913 1 17 . 1 1 31 31 GLU C C 31 176.568 176.568 177.465 -0.897 26047 7914 1 17 . 1 1 31 31 GLU CA C 31 59.788 59.788 59.298 0.490 26047 7915 1 17 . 1 1 31 31 GLU CB C 31 29.883 29.883 29.733 0.150 26047 7916 1 17 . 1 1 31 31 GLU H H 31 9.110 9.110 9.096 0.014 26047 7917 1 17 . 1 1 32 32 ASP N N 32 115.429 115.429 115.454 -0.025 26047 7918 1 17 . 1 1 32 32 ASP HA H 32 4.420 4.420 4.714 -0.294 26047 7919 1 17 . 1 1 32 32 ASP C C 32 177.209 177.209 175.876 1.333 26047 7920 1 17 . 1 1 32 32 ASP CA C 32 53.556 53.556 54.287 -0.731 26047 7921 1 17 . 1 1 32 32 ASP CB C 32 40.030 40.030 41.325 -1.295 26047 7922 1 17 . 1 1 32 32 ASP H H 32 7.826 7.826 8.223 -0.397 26047 7923 1 17 . 1 1 37 37 ASP N N 37 118.871 118.871 122.189 -3.318 26047 7924 1 17 . 1 1 37 37 ASP HA H 37 4.827 4.827 4.905 -0.078 26047 7925 1 17 . 1 1 37 37 ASP C C 37 174.807 174.807 174.007 0.800 26047 7926 1 17 . 1 1 37 37 ASP CA C 37 54.739 54.739 55.355 -0.616 26047 7927 1 17 . 1 1 37 37 ASP CB C 37 44.386 44.386 44.003 0.383 26047 7928 1 17 . 1 1 37 37 ASP H H 37 6.765 6.765 7.686 -0.921 26047 7929 1 17 . 1 1 38 38 SER N N 38 118.532 118.532 117.421 1.111 26047 7930 1 17 . 1 1 38 38 SER HA H 38 4.581 4.581 4.641 -0.060 26047 7931 1 17 . 1 1 38 38 SER C C 38 174.967 174.967 174.642 0.325 26047 7932 1 17 . 1 1 38 38 SER CA C 38 57.033 57.033 55.544 1.489 26047 7933 1 17 . 1 1 38 38 SER CB C 38 64.862 64.862 65.592 -0.730 26047 7934 1 17 . 1 1 38 38 SER H H 38 8.196 8.196 8.282 -0.086 26047 7935 1 17 . 1 1 39 39 SER N N 39 124.920 124.920 123.478 1.442 26047 7936 1 17 . 1 1 39 39 SER HA H 39 4.131 4.131 4.439 -0.308 26047 7937 1 17 . 1 1 39 39 SER C C 39 177.101 177.101 175.705 1.396 26047 7938 1 17 . 1 1 39 39 SER CA C 39 61.690 61.690 60.218 1.472 26047 7939 1 17 . 1 1 39 39 SER CB C 39 61.632 61.632 63.434 -1.802 26047 7940 1 17 . 1 1 39 39 SER H H 39 7.872 7.872 8.021 -0.149 26047 7941 1 17 . 1 1 40 40 ARG N N 40 124.309 124.309 119.607 4.702 26047 7942 1 17 . 1 1 40 40 ARG HA H 40 3.607 3.607 4.260 -0.653 26047 7943 1 17 . 1 1 40 40 ARG C C 40 179.844 179.844 177.438 2.406 26047 7944 1 17 . 1 1 40 40 ARG CA C 40 58.859 58.859 57.802 1.057 26047 7945 1 17 . 1 1 40 40 ARG CB C 40 28.763 28.763 30.058 -1.295 26047 7946 1 17 . 1 1 40 40 ARG H H 40 7.617 7.617 7.570 0.047 26047 7947 1 17 . 1 1 41 41 ASP N N 41 118.394 118.394 118.088 0.306 26047 7948 1 17 . 1 1 41 41 ASP HA H 41 4.314 4.314 4.438 -0.124 26047 7949 1 17 . 1 1 41 41 ASP C C 41 176.750 176.750 177.167 -0.417 26047 7950 1 17 . 1 1 41 41 ASP CA C 41 56.536 56.536 56.302 0.234 26047 7951 1 17 . 1 1 41 41 ASP CB C 41 40.095 40.095 39.816 0.279 26047 7952 1 17 . 1 1 41 41 ASP H H 41 7.079 7.079 8.095 -1.016 26047 7953 1 17 . 1 1 42 42 ARG N N 42 115.037 115.037 117.491 -2.454 26047 7954 1 17 . 1 1 42 42 ARG HA H 42 4.431 4.431 4.478 -0.047 26047 7955 1 17 . 1 1 42 42 ARG C C 42 175.430 175.430 175.727 -0.297 26047 7956 1 17 . 1 1 42 42 ARG CA C 42 56.099 56.099 55.560 0.539 26047 7957 1 17 . 1 1 42 42 ARG CB C 42 31.577 31.577 30.675 0.901 26047 7958 1 17 . 1 1 42 42 ARG H H 42 6.859 6.859 8.166 -1.307 26047 7959 1 17 . 1 1 49 49 MET N N 49 123.105 123.105 120.756 2.349 26047 7960 1 17 . 1 1 49 49 MET HA H 49 4.681 4.681 4.885 -0.204 26047 7961 1 17 . 1 1 49 49 MET C C 49 176.492 176.492 174.990 1.502 26047 7962 1 17 . 1 1 49 49 MET CA C 49 54.487 54.487 54.558 -0.071 26047 7963 1 17 . 1 1 49 49 MET CB C 49 33.755 33.755 34.704 -0.949 26047 7964 1 17 . 1 1 49 49 MET H H 49 9.261 9.261 8.403 0.858 26047 7965 1 17 . 1 1 50 50 LEU N N 50 131.689 131.689 123.679 8.010 26047 7966 1 17 . 1 1 50 50 LEU HA H 50 4.210 4.210 4.768 -0.558 26047 7967 1 17 . 1 1 50 50 LEU C C 50 177.825 177.825 178.067 -0.242 26047 7968 1 17 . 1 1 50 50 LEU CA C 50 57.249 57.249 54.167 3.082 26047 7969 1 17 . 1 1 50 50 LEU CB C 50 41.752 41.752 41.531 0.221 26047 7970 1 17 . 1 1 50 50 LEU H H 50 8.633 8.633 7.827 0.806 26047 7971 1 17 . 1 1 54 54 GLU N N 54 117.417 117.417 119.141 -1.724 26047 7972 1 17 . 1 1 54 54 GLU HA H 54 4.220 4.220 4.302 -0.082 26047 7973 1 17 . 1 1 54 54 GLU C C 54 176.221 176.221 176.048 0.173 26047 7974 1 17 . 1 1 54 54 GLU CA C 54 57.447 57.447 58.039 -0.592 26047 7975 1 17 . 1 1 54 54 GLU CB C 54 31.200 31.200 30.558 0.641 26047 7976 1 17 . 1 1 54 54 GLU H H 54 9.389 9.389 8.922 0.467 26047 7977 1 17 . 1 1 55 55 VAL N N 55 108.426 108.426 113.801 -5.375 26047 7978 1 17 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.255 0.059 26047 7979 1 17 . 1 1 55 55 VAL C C 55 175.226 175.226 175.145 0.081 26047 7980 1 17 . 1 1 55 55 VAL CA C 55 57.461 57.461 59.853 -2.392 26047 7981 1 17 . 1 1 55 55 VAL CB C 55 35.557 35.557 33.498 2.059 26047 7982 1 17 . 1 1 55 55 VAL H H 55 6.820 6.820 7.279 -0.459 26047 7983 1 17 . 1 1 56 56 ILE N N 56 111.618 111.618 113.596 -1.978 26047 7984 1 17 . 1 1 56 56 ILE HA H 56 3.853 3.853 4.111 -0.258 26047 7985 1 17 . 1 1 56 56 ILE C C 56 177.344 177.344 176.208 1.136 26047 7986 1 17 . 1 1 56 56 ILE CA C 56 61.975 61.975 60.212 1.763 26047 7987 1 17 . 1 1 56 56 ILE CB C 56 38.342 38.342 38.306 0.036 26047 7988 1 17 . 1 1 56 56 ILE H H 56 7.404 7.404 7.405 -0.001 26047 7989 1 17 . 1 1 57 57 ARG N N 57 124.436 124.436 123.668 0.768 26047 7990 1 17 . 1 1 57 57 ARG HA H 57 4.063 4.063 4.012 0.051 26047 7991 1 17 . 1 1 57 57 ARG C C 57 179.428 179.428 178.537 0.891 26047 7992 1 17 . 1 1 57 57 ARG CA C 57 59.838 59.838 59.702 0.136 26047 7993 1 17 . 1 1 57 57 ARG CB C 57 30.630 30.630 30.176 0.454 26047 7994 1 17 . 1 1 57 57 ARG H H 57 8.631 8.631 8.475 0.156 26047 7995 1 17 . 1 1 58 58 GLY N N 58 107.151 107.151 105.052 2.099 26047 7996 1 17 . 1 1 58 58 GLY C C 58 175.210 175.210 175.459 -0.249 26047 7997 1 17 . 1 1 58 58 GLY CA C 58 47.621 47.621 46.688 0.933 26047 7998 1 17 . 1 1 58 58 GLY H H 58 9.688 9.688 7.986 1.702 26047 7999 1 17 . 1 1 59 59 TRP N N 59 119.956 119.956 121.429 -1.473 26047 8000 1 17 . 1 1 59 59 TRP HA H 59 4.227 4.227 4.522 -0.295 26047 8001 1 17 . 1 1 59 59 TRP C C 59 177.529 177.529 178.620 -1.091 26047 8002 1 17 . 1 1 59 59 TRP CA C 59 59.681 59.681 58.563 1.118 26047 8003 1 17 . 1 1 59 59 TRP CB C 59 29.092 29.092 29.371 -0.279 26047 8004 1 17 . 1 1 59 59 TRP H H 59 7.534 7.534 7.499 0.035 26047 8005 1 17 . 1 1 60 60 GLU N N 60 118.374 118.374 118.908 -0.534 26047 8006 1 17 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.200 -0.310 26047 8007 1 17 . 1 1 60 60 GLU C C 60 178.377 178.377 179.319 -0.942 26047 8008 1 17 . 1 1 60 60 GLU CA C 60 61.081 61.081 59.953 1.128 26047 8009 1 17 . 1 1 60 60 GLU CB C 60 29.417 29.417 29.521 -0.104 26047 8010 1 17 . 1 1 60 60 GLU H H 60 7.275 7.275 8.029 -0.754 26047 8011 1 17 . 1 1 61 61 GLU N N 61 113.896 113.896 117.818 -3.922 26047 8012 1 17 . 1 1 61 61 GLU HA H 61 4.149 4.149 4.339 -0.190 26047 8013 1 17 . 1 1 61 61 GLU C C 61 179.320 179.320 178.274 1.046 26047 8014 1 17 . 1 1 61 61 GLU CA C 61 58.633 58.633 57.737 0.896 26047 8015 1 17 . 1 1 61 61 GLU CB C 61 29.872 29.872 29.891 -0.019 26047 8016 1 17 . 1 1 61 61 GLU H H 61 8.390 8.390 8.221 0.169 26047 8017 1 17 . 1 1 62 62 GLY N N 62 106.899 106.899 108.178 -1.279 26047 8018 1 17 . 1 1 62 62 GLY C C 62 174.585 174.585 176.040 -1.455 26047 8019 1 17 . 1 1 62 62 GLY CA C 62 47.194 47.194 46.274 0.920 26047 8020 1 17 . 1 1 62 62 GLY H H 62 7.932 7.932 7.717 0.215 26047 8021 1 17 . 1 1 63 63 VAL N N 63 120.730 120.730 122.490 -1.760 26047 8022 1 17 . 1 1 63 63 VAL HA H 63 3.927 3.927 3.869 0.058 26047 8023 1 17 . 1 1 63 63 VAL C C 63 177.334 177.334 177.368 -0.034 26047 8024 1 17 . 1 1 63 63 VAL CA C 63 65.419 65.419 65.316 0.103 26047 8025 1 17 . 1 1 63 63 VAL CB C 63 31.126 31.126 31.634 -0.508 26047 8026 1 17 . 1 1 63 63 VAL H H 63 8.688 8.688 8.616 0.072 26047 8027 1 17 . 1 1 64 64 ALA N N 64 117.132 117.132 120.308 -3.176 26047 8028 1 17 . 1 1 64 64 ALA HA H 64 4.014 4.014 4.310 -0.296 26047 8029 1 17 . 1 1 64 64 ALA C C 64 177.759 177.759 178.124 -0.365 26047 8030 1 17 . 1 1 64 64 ALA CA C 64 54.526 54.526 53.761 0.765 26047 8031 1 17 . 1 1 64 64 ALA CB C 64 18.715 18.715 18.628 0.087 26047 8032 1 17 . 1 1 64 64 ALA H H 64 7.160 7.160 8.173 -1.013 26047 8033 1 17 . 1 1 65 65 GLN N N 65 112.231 112.231 116.232 -4.001 26047 8034 1 17 . 1 1 65 65 GLN HA H 65 4.359 4.359 4.381 -0.022 26047 8035 1 17 . 1 1 65 65 GLN C C 65 175.568 175.568 175.860 -0.292 26047 8036 1 17 . 1 1 65 65 GLN CA C 65 55.459 55.459 55.986 -0.527 26047 8037 1 17 . 1 1 65 65 GLN CB C 65 30.028 30.028 29.587 0.441 26047 8038 1 17 . 1 1 65 65 GLN H H 65 7.143 7.143 7.848 -0.705 26047 8039 1 17 . 1 1 66 66 MET N N 66 122.412 122.412 118.516 3.896 26047 8040 1 17 . 1 1 66 66 MET HA H 66 4.788 4.788 4.808 -0.020 26047 8041 1 17 . 1 1 66 66 MET C C 66 172.467 172.467 175.026 -2.559 26047 8042 1 17 . 1 1 66 66 MET CA C 66 55.118 55.118 54.269 0.849 26047 8043 1 17 . 1 1 66 66 MET CB C 66 35.667 35.667 34.938 0.730 26047 8044 1 17 . 1 1 66 66 MET H H 66 7.965 7.965 7.506 0.459 26047 8045 1 17 . 1 1 67 67 SER N N 67 107.611 107.611 114.132 -6.521 26047 8046 1 17 . 1 1 67 67 SER HA H 67 4.833 4.833 4.502 0.331 26047 8047 1 17 . 1 1 67 67 SER C C 67 176.275 176.275 174.345 1.930 26047 8048 1 17 . 1 1 67 67 SER CA C 67 54.465 54.465 55.777 -1.312 26047 8049 1 17 . 1 1 67 67 SER CB C 67 65.982 65.982 65.071 0.911 26047 8050 1 17 . 1 1 67 67 SER H H 67 8.182 8.182 8.170 0.012 26047 8051 1 17 . 1 1 68 68 VAL N N 68 119.266 119.266 121.096 -1.830 26047 8052 1 17 . 1 1 68 68 VAL HA H 68 3.105 3.105 3.524 -0.419 26047 8053 1 17 . 1 1 68 68 VAL C C 68 176.390 176.390 176.428 -0.038 26047 8054 1 17 . 1 1 68 68 VAL CA C 68 67.074 67.074 65.280 1.794 26047 8055 1 17 . 1 1 68 68 VAL CB C 68 31.503 31.503 31.160 0.343 26047 8056 1 17 . 1 1 68 68 VAL H H 68 7.650 7.650 8.240 -0.590 26047 8057 1 17 . 1 1 69 69 GLY N N 69 116.900 116.900 113.830 3.070 26047 8058 1 17 . 1 1 69 69 GLY C C 69 173.934 173.934 173.786 0.148 26047 8059 1 17 . 1 1 69 69 GLY CA C 69 44.407 44.407 44.841 -0.434 26047 8060 1 17 . 1 1 69 69 GLY H H 69 8.855 8.855 8.725 0.130 26047 8061 1 17 . 1 1 70 70 GLN N N 70 123.210 123.210 120.773 2.437 26047 8062 1 17 . 1 1 70 70 GLN HA H 70 4.035 4.035 4.757 -0.722 26047 8063 1 17 . 1 1 70 70 GLN C C 70 173.663 173.663 174.452 -0.789 26047 8064 1 17 . 1 1 70 70 GLN CA C 70 55.788 55.788 54.862 0.926 26047 8065 1 17 . 1 1 70 70 GLN CB C 70 30.551 30.551 31.331 -0.780 26047 8066 1 17 . 1 1 70 70 GLN H H 70 8.607 8.607 7.958 0.649 26047 8067 1 17 . 1 1 71 71 ARG N N 71 124.586 124.586 126.056 -1.470 26047 8068 1 17 . 1 1 71 71 ARG HA H 71 5.660 5.660 4.854 0.806 26047 8069 1 17 . 1 1 71 71 ARG C C 71 175.582 175.582 173.975 1.607 26047 8070 1 17 . 1 1 71 71 ARG CA C 71 53.936 53.936 54.703 -0.767 26047 8071 1 17 . 1 1 71 71 ARG CB C 71 33.739 33.739 32.618 1.121 26047 8072 1 17 . 1 1 71 71 ARG H H 71 8.802 8.802 8.701 0.101 26047 8073 1 17 . 1 1 75 75 THR N N 75 121.856 121.856 121.278 0.578 26047 8074 1 17 . 1 1 75 75 THR HA H 75 5.052 5.052 4.737 0.315 26047 8075 1 17 . 1 1 75 75 THR C C 75 175.079 175.079 173.527 1.552 26047 8076 1 17 . 1 1 75 75 THR CA C 75 63.355 63.355 62.615 0.740 26047 8077 1 17 . 1 1 75 75 THR CB C 75 68.790 68.790 69.444 -0.654 26047 8078 1 17 . 1 1 75 75 THR H H 75 8.884 8.884 8.719 0.165 26047 8079 1 17 . 1 1 76 76 ILE N N 76 129.859 129.859 128.537 1.322 26047 8080 1 17 . 1 1 76 76 ILE HA H 76 4.680 4.680 4.689 -0.009 26047 8081 1 17 . 1 1 76 76 ILE C C 76 173.943 173.943 175.522 -1.579 26047 8082 1 17 . 1 1 76 76 ILE CA C 76 60.898 60.898 58.408 2.490 26047 8083 1 17 . 1 1 76 76 ILE CB C 76 41.236 41.236 39.225 2.011 26047 8084 1 17 . 1 1 76 76 ILE H H 76 9.864 9.864 8.841 1.023 26047 8085 1 17 . 1 1 77 77 SER N N 77 123.243 123.243 120.330 2.913 26047 8086 1 17 . 1 1 77 77 SER HA H 77 4.732 4.732 5.127 -0.395 26047 8087 1 17 . 1 1 77 77 SER C C 77 173.647 173.647 174.132 -0.485 26047 8088 1 17 . 1 1 77 77 SER CA C 77 57.726 57.726 55.526 2.200 26047 8089 1 17 . 1 1 77 77 SER CB C 77 62.763 62.763 63.679 -0.916 26047 8090 1 17 . 1 1 77 77 SER H H 77 8.612 8.612 8.397 0.215 26047 8091 1 17 . 1 1 78 78 PRO HA H 78 4.488 4.488 4.409 0.079 26047 8092 1 17 . 1 1 78 78 PRO C C 78 180.133 180.133 177.132 3.001 26047 8093 1 17 . 1 1 78 78 PRO CA C 78 65.828 65.828 65.081 0.747 26047 8094 1 17 . 1 1 78 78 PRO CB C 78 30.995 30.995 32.125 -1.130 26047 8095 1 17 . 1 1 79 79 ASP N N 79 115.934 115.934 115.841 0.093 26047 8096 1 17 . 1 1 79 79 ASP HA H 79 4.390 4.390 4.546 -0.156 26047 8097 1 17 . 1 1 79 79 ASP C C 79 176.810 176.810 177.382 -0.572 26047 8098 1 17 . 1 1 79 79 ASP CA C 79 56.159 56.159 56.249 -0.090 26047 8099 1 17 . 1 1 79 79 ASP CB C 79 39.361 39.361 41.106 -1.745 26047 8100 1 17 . 1 1 79 79 ASP H H 79 8.799 8.799 8.633 0.166 26047 8101 1 17 . 1 1 80 80 TYR N N 80 120.969 120.969 119.028 1.941 26047 8102 1 17 . 1 1 80 80 TYR HA H 80 4.377 4.377 4.448 -0.071 26047 8103 1 17 . 1 1 80 80 TYR C C 80 173.332 173.332 176.638 -3.306 26047 8104 1 17 . 1 1 80 80 TYR CA C 80 57.597 57.597 59.511 -1.914 26047 8105 1 17 . 1 1 80 80 TYR CB C 80 38.903 38.903 39.501 -0.598 26047 8106 1 17 . 1 1 80 80 TYR H H 80 8.116 8.116 7.722 0.394 26047 8107 1 17 . 1 1 81 81 ALA N N 81 125.669 125.669 122.986 2.683 26047 8108 1 17 . 1 1 81 81 ALA HA H 81 4.421 4.421 4.006 0.415 26047 8109 1 17 . 1 1 81 81 ALA C C 81 175.888 175.888 177.337 -1.449 26047 8110 1 17 . 1 1 81 81 ALA CA C 81 51.701 51.701 54.547 -2.846 26047 8111 1 17 . 1 1 81 81 ALA CB C 81 19.334 19.334 19.141 0.193 26047 8112 1 17 . 1 1 81 81 ALA H H 81 7.801 7.801 8.359 -0.558 26047 8113 1 17 . 1 1 82 82 TYR N N 82 122.080 122.080 114.817 7.263 26047 8114 1 17 . 1 1 82 82 TYR HA H 82 4.566 4.566 4.587 -0.021 26047 8115 1 17 . 1 1 82 82 TYR C C 82 176.653 176.653 176.488 0.165 26047 8116 1 17 . 1 1 82 82 TYR CA C 82 58.865 58.865 58.443 0.422 26047 8117 1 17 . 1 1 82 82 TYR CB C 82 37.995 37.995 41.744 -3.749 26047 8118 1 17 . 1 1 82 82 TYR H H 82 9.321 9.321 7.604 1.717 26047 8119 1 17 . 1 1 83 83 GLY N N 83 108.394 108.394 106.619 1.775 26047 8120 1 17 . 1 1 83 83 GLY C C 83 175.214 175.214 172.803 2.411 26047 8121 1 17 . 1 1 83 83 GLY CA C 83 46.827 46.827 45.265 1.562 26047 8122 1 17 . 1 1 83 83 GLY H H 83 8.535 8.535 7.900 0.635 26047 8123 1 17 . 1 1 84 84 ALA HA H 84 3.273 3.273 4.379 -1.106 26047 8124 1 17 . 1 1 84 84 ALA C C 84 177.536 177.536 177.836 -0.300 26047 8125 1 17 . 1 1 84 84 ALA CA C 84 53.514 53.514 53.649 -0.135 26047 8126 1 17 . 1 1 84 84 ALA CB C 84 19.318 19.318 18.831 0.487 26047 8127 1 17 . 1 1 85 85 THR N N 85 109.341 109.341 113.593 -4.252 26047 8128 1 17 . 1 1 85 85 THR HA H 85 4.038 4.038 4.203 -0.165 26047 8129 1 17 . 1 1 85 85 THR C C 85 177.149 177.149 175.086 2.063 26047 8130 1 17 . 1 1 85 85 THR CA C 85 64.040 64.040 62.251 1.790 26047 8131 1 17 . 1 1 85 85 THR CB C 85 69.466 69.466 69.714 -0.248 26047 8132 1 17 . 1 1 85 85 THR H H 85 7.927 7.927 7.933 -0.006 26047 8133 1 17 . 1 1 86 86 GLY N N 86 106.961 106.961 109.086 -2.125 26047 8134 1 17 . 1 1 86 86 GLY C C 86 171.567 171.567 173.170 -1.603 26047 8135 1 17 . 1 1 86 86 GLY CA C 86 45.151 45.151 44.716 0.435 26047 8136 1 17 . 1 1 86 86 GLY H H 86 7.341 7.341 7.802 -0.461 26047 8137 1 17 . 1 1 87 87 HIS N N 87 121.870 121.870 120.401 1.469 26047 8138 1 17 . 1 1 87 87 HIS HA H 87 4.967 4.967 4.661 0.306 26047 8139 1 17 . 1 1 87 87 HIS C C 87 172.750 172.750 173.661 -0.911 26047 8140 1 17 . 1 1 87 87 HIS CA C 87 53.029 53.029 52.641 0.388 26047 8141 1 17 . 1 1 87 87 HIS CB C 87 32.349 32.349 30.658 1.691 26047 8142 1 17 . 1 1 87 87 HIS H H 87 8.799 8.799 8.056 0.743 26047 8143 1 17 . 1 1 88 88 PRO HA H 88 4.132 4.132 4.299 -0.167 26047 8144 1 17 . 1 1 88 88 PRO C C 88 176.585 176.585 177.405 -0.820 26047 8145 1 17 . 1 1 88 88 PRO CA C 88 65.123 65.123 63.670 1.452 26047 8146 1 17 . 1 1 88 88 PRO CB C 88 31.851 31.851 31.703 0.148 26047 8147 1 17 . 1 1 89 89 GLY N N 89 113.445 113.445 113.309 0.136 26047 8148 1 17 . 1 1 89 89 GLY C C 89 174.030 174.030 174.730 -0.700 26047 8149 1 17 . 1 1 89 89 GLY CA C 89 45.251 45.251 45.137 0.114 26047 8150 1 17 . 1 1 89 89 GLY H H 89 8.571 8.571 8.698 -0.127 26047 8151 1 17 . 1 1 90 90 ILE N N 90 118.128 118.128 121.124 -2.996 26047 8152 1 17 . 1 1 90 90 ILE HA H 90 4.252 4.252 4.217 0.035 26047 8153 1 17 . 1 1 90 90 ILE C C 90 174.403 174.403 175.913 -1.510 26047 8154 1 17 . 1 1 90 90 ILE CA C 90 62.855 62.855 62.540 0.315 26047 8155 1 17 . 1 1 90 90 ILE CB C 90 41.565 41.565 39.011 2.554 26047 8156 1 17 . 1 1 90 90 ILE H H 90 8.103 8.103 7.630 0.473 26047 8157 1 17 . 1 1 91 91 ILE N N 91 119.444 119.444 120.395 -0.951 26047 8158 1 17 . 1 1 91 91 ILE HA H 91 4.506 4.506 4.331 0.175 26047 8159 1 17 . 1 1 91 91 ILE C C 91 174.345 174.345 173.835 0.510 26047 8160 1 17 . 1 1 91 91 ILE CA C 91 56.335 56.335 57.005 -0.670 26047 8161 1 17 . 1 1 91 91 ILE CB C 91 40.719 40.719 36.715 4.004 26047 8162 1 17 . 1 1 91 91 ILE H H 91 8.241 8.241 7.539 0.702 26047 8163 1 17 . 1 1 92 92 PRO HA H 92 4.717 4.717 4.689 0.028 26047 8164 1 17 . 1 1 92 92 PRO CB C 92 31.011 31.011 31.376 -0.365 26047 8165 1 17 . 1 1 93 93 PRO HA H 93 3.617 3.617 4.302 -0.685 26047 8166 1 17 . 1 1 93 93 PRO C C 93 175.714 175.714 176.985 -1.271 26047 8167 1 17 . 1 1 93 93 PRO CA C 93 63.618 63.618 63.096 0.522 26047 8168 1 17 . 1 1 93 93 PRO CB C 93 33.171 33.171 32.398 0.773 26047 8169 1 17 . 1 1 94 94 HIS N N 94 115.851 115.851 116.661 -0.810 26047 8170 1 17 . 1 1 94 94 HIS HA H 94 3.804 3.804 4.163 -0.359 26047 8171 1 17 . 1 1 94 94 HIS C C 94 173.821 173.821 173.742 0.079 26047 8172 1 17 . 1 1 94 94 HIS CA C 94 57.145 57.145 57.526 -0.381 26047 8173 1 17 . 1 1 94 94 HIS CB C 94 27.977 27.977 27.740 0.237 26047 8174 1 17 . 1 1 94 94 HIS H H 94 7.934 7.934 8.518 -0.584 26047 8175 1 17 . 1 1 95 95 ALA N N 95 122.072 122.072 120.701 1.371 26047 8176 1 17 . 1 1 95 95 ALA HA H 95 4.459 4.459 4.682 -0.223 26047 8177 1 17 . 1 1 95 95 ALA C C 95 177.246 177.246 175.591 1.655 26047 8178 1 17 . 1 1 95 95 ALA CA C 95 52.728 52.728 50.894 1.834 26047 8179 1 17 . 1 1 95 95 ALA CB C 95 20.567 20.567 21.970 -1.403 26047 8180 1 17 . 1 1 95 95 ALA H H 95 7.706 7.706 7.768 -0.062 26047 8181 1 17 . 1 1 96 96 THR N N 96 122.875 122.875 119.640 3.235 26047 8182 1 17 . 1 1 96 96 THR HA H 96 4.650 4.650 4.490 0.160 26047 8183 1 17 . 1 1 96 96 THR C C 96 173.818 173.818 173.782 0.036 26047 8184 1 17 . 1 1 96 96 THR CA C 96 63.778 63.778 63.398 0.380 26047 8185 1 17 . 1 1 96 96 THR CB C 96 69.588 69.588 69.805 -0.217 26047 8186 1 17 . 1 1 96 96 THR H H 96 8.448 8.448 8.219 0.229 26047 8187 1 17 . 1 1 97 97 LEU N N 97 124.809 124.809 125.045 -0.236 26047 8188 1 17 . 1 1 97 97 LEU HA H 97 5.110 5.110 4.735 0.375 26047 8189 1 17 . 1 1 97 97 LEU C C 97 175.041 175.041 175.315 -0.274 26047 8190 1 17 . 1 1 97 97 LEU CA C 97 52.832 52.832 53.912 -1.080 26047 8191 1 17 . 1 1 97 97 LEU CB C 97 46.391 46.391 45.500 0.891 26047 8192 1 17 . 1 1 97 97 LEU H H 97 8.725 8.725 9.003 -0.278 26047 8193 1 17 . 1 1 98 98 VAL N N 98 121.081 121.081 118.838 2.243 26047 8194 1 17 . 1 1 98 98 VAL HA H 98 5.215 5.215 4.509 0.706 26047 8195 1 17 . 1 1 98 98 VAL C C 98 175.150 175.150 174.406 0.744 26047 8196 1 17 . 1 1 98 98 VAL CA C 98 60.662 60.662 61.569 -0.908 26047 8197 1 17 . 1 1 98 98 VAL CB C 98 34.355 34.355 33.996 0.359 26047 8198 1 17 . 1 1 98 98 VAL H H 98 8.692 8.692 8.629 0.063 26047 8199 1 17 . 1 1 99 99 PHE N N 99 123.638 123.638 125.983 -2.345 26047 8200 1 17 . 1 1 99 99 PHE HA H 99 5.754 5.754 5.630 0.124 26047 8201 1 17 . 1 1 99 99 PHE C C 99 174.328 174.328 174.065 0.263 26047 8202 1 17 . 1 1 99 99 PHE CA C 99 55.196 55.196 56.283 -1.087 26047 8203 1 17 . 1 1 99 99 PHE CB C 99 43.396 43.396 43.452 -0.056 26047 8204 1 17 . 1 1 99 99 PHE H H 99 9.724 9.724 9.253 0.471 26047 8205 1 17 . 1 1 100 100 ASP N N 100 124.358 124.358 124.615 -0.257 26047 8206 1 17 . 1 1 100 100 ASP HA H 100 5.164 5.164 5.061 0.103 26047 8207 1 17 . 1 1 100 100 ASP C C 100 176.946 176.946 175.463 1.483 26047 8208 1 17 . 1 1 100 100 ASP CA C 100 52.778 52.778 53.114 -0.336 26047 8209 1 17 . 1 1 100 100 ASP CB C 100 42.320 42.320 43.066 -0.746 26047 8210 1 17 . 1 1 100 100 ASP H H 100 8.775 8.775 8.570 0.205 26047 8211 1 17 . 1 1 101 101 VAL N N 101 126.428 126.428 119.911 6.517 26047 8212 1 17 . 1 1 101 101 VAL HA H 101 5.057 5.057 5.436 -0.379 26047 8213 1 17 . 1 1 101 101 VAL C C 101 172.620 172.620 174.127 -1.507 26047 8214 1 17 . 1 1 101 101 VAL CA C 101 61.041 61.041 59.291 1.750 26047 8215 1 17 . 1 1 101 101 VAL CB C 101 35.481 35.481 34.217 1.264 26047 8216 1 17 . 1 1 101 101 VAL H H 101 9.513 9.513 7.723 1.790 26047 8217 1 17 . 1 1 102 102 GLU N N 102 128.393 128.393 120.645 7.748 26047 8218 1 17 . 1 1 102 102 GLU HA H 102 5.392 5.392 4.917 0.475 26047 8219 1 17 . 1 1 102 102 GLU C C 102 175.174 175.174 175.062 0.112 26047 8220 1 17 . 1 1 102 102 GLU CA C 102 53.979 53.979 53.739 0.240 26047 8221 1 17 . 1 1 102 102 GLU CB C 102 33.852 33.852 32.746 1.106 26047 8222 1 17 . 1 1 102 102 GLU H H 102 9.285 9.285 8.200 1.085 26047 8223 1 17 . 1 1 103 103 LEU N N 103 128.290 128.290 125.717 2.573 26047 8224 1 17 . 1 1 103 103 LEU HA H 103 4.671 4.671 4.323 0.348 26047 8225 1 17 . 1 1 103 103 LEU C C 103 174.266 174.266 175.843 -1.577 26047 8226 1 17 . 1 1 103 103 LEU CA C 103 54.356 54.356 54.708 -0.352 26047 8227 1 17 . 1 1 103 103 LEU CB C 103 41.465 41.465 40.550 0.915 26047 8228 1 17 . 1 1 103 103 LEU H H 103 8.613 8.613 8.770 -0.157 26047 8229 1 18 . 1 1 -2 -2 PRO HA H -2 4.485 4.485 4.792 -0.307 26047 8230 1 18 . 1 1 -2 -2 PRO C C -2 176.570 176.570 176.874 -0.304 26047 8231 1 18 . 1 1 -2 -2 PRO CA C -2 63.243 63.243 62.707 0.536 26047 8232 1 18 . 1 1 -2 -2 PRO CB C -2 32.290 32.290 32.636 -0.346 26047 8233 1 18 . 1 1 -1 -1 SER N N -1 116.659 116.659 116.471 0.188 26047 8234 1 18 . 1 1 -1 -1 SER HA H -1 4.422 4.422 4.526 -0.104 26047 8235 1 18 . 1 1 -1 -1 SER C C -1 174.384 174.384 174.861 -0.477 26047 8236 1 18 . 1 1 -1 -1 SER CA C -1 58.230 58.230 59.320 -1.090 26047 8237 1 18 . 1 1 -1 -1 SER CB C -1 63.838 63.838 63.599 0.239 26047 8238 1 18 . 1 1 -1 -1 SER H H -1 8.542 8.542 8.407 0.135 26047 8239 1 18 . 1 1 0 0 MET N N 0 122.115 122.115 119.436 2.679 26047 8240 1 18 . 1 1 0 0 MET HA H 0 4.441 4.441 4.575 -0.134 26047 8241 1 18 . 1 1 0 0 MET C C 0 176.182 176.182 177.094 -0.912 26047 8242 1 18 . 1 1 0 0 MET CA C 0 55.346 55.346 54.675 0.671 26047 8243 1 18 . 1 1 0 0 MET CB C 0 33.248 33.248 33.678 -0.430 26047 8244 1 18 . 1 1 0 0 MET H H 0 8.356 8.356 7.634 0.722 26047 8245 1 18 . 1 1 1 1 GLY N N 1 110.724 110.724 109.173 1.551 26047 8246 1 18 . 1 1 1 1 GLY C C 1 172.468 172.468 173.323 -0.855 26047 8247 1 18 . 1 1 1 1 GLY CA C 1 45.585 45.585 44.950 0.635 26047 8248 1 18 . 1 1 1 1 GLY H H 1 8.157 8.157 8.532 -0.375 26047 8249 1 18 . 1 1 2 2 VAL N N 2 117.765 117.765 119.805 -2.040 26047 8250 1 18 . 1 1 2 2 VAL HA H 2 4.889 4.889 5.125 -0.236 26047 8251 1 18 . 1 1 2 2 VAL C C 2 173.396 173.396 174.352 -0.956 26047 8252 1 18 . 1 1 2 2 VAL CA C 2 59.731 59.731 59.722 0.009 26047 8253 1 18 . 1 1 2 2 VAL CB C 2 34.600 34.600 33.187 1.413 26047 8254 1 18 . 1 1 2 2 VAL H H 2 7.471 7.471 7.108 0.363 26047 8255 1 18 . 1 1 3 3 GLN N N 3 126.962 126.962 128.473 -1.511 26047 8256 1 18 . 1 1 3 3 GLN HA H 3 4.686 4.686 4.640 0.046 26047 8257 1 18 . 1 1 3 3 GLN C C 3 174.658 174.658 174.539 0.119 26047 8258 1 18 . 1 1 3 3 GLN CA C 3 54.379 54.379 54.901 -0.522 26047 8259 1 18 . 1 1 3 3 GLN CB C 3 31.669 31.669 31.339 0.330 26047 8260 1 18 . 1 1 3 3 GLN H H 3 8.514 8.514 8.123 0.391 26047 8261 1 18 . 1 1 4 4 VAL N N 4 125.396 125.396 125.096 0.300 26047 8262 1 18 . 1 1 4 4 VAL HA H 4 4.520 4.520 4.354 0.166 26047 8263 1 18 . 1 1 4 4 VAL C C 4 175.411 175.411 175.354 0.057 26047 8264 1 18 . 1 1 4 4 VAL CA C 4 61.993 61.993 61.655 0.338 26047 8265 1 18 . 1 1 4 4 VAL CB C 4 33.355 33.355 32.827 0.528 26047 8266 1 18 . 1 1 4 4 VAL H H 4 8.823 8.823 8.688 0.135 26047 8267 1 18 . 1 1 5 5 GLU N N 5 128.706 128.706 127.820 0.886 26047 8268 1 18 . 1 1 5 5 GLU HA H 5 4.782 4.782 4.618 0.164 26047 8269 1 18 . 1 1 5 5 GLU C C 5 175.830 175.830 175.757 0.073 26047 8270 1 18 . 1 1 5 5 GLU CA C 5 54.451 54.451 54.505 -0.054 26047 8271 1 18 . 1 1 5 5 GLU CB C 5 32.818 32.818 31.156 1.662 26047 8272 1 18 . 1 1 5 5 GLU H H 5 9.024 9.024 8.661 0.363 26047 8273 1 18 . 1 1 6 6 THR N N 6 124.408 124.408 120.349 4.059 26047 8274 1 18 . 1 1 6 6 THR HA H 6 3.898 3.898 4.275 -0.377 26047 8275 1 18 . 1 1 6 6 THR C C 6 173.675 173.675 174.023 -0.348 26047 8276 1 18 . 1 1 6 6 THR CA C 6 66.715 66.715 63.640 3.075 26047 8277 1 18 . 1 1 6 6 THR CB C 6 68.934 68.934 69.205 -0.271 26047 8278 1 18 . 1 1 6 6 THR H H 6 9.173 9.173 8.687 0.486 26047 8279 1 18 . 1 1 7 7 ILE N N 7 129.476 129.476 127.226 2.250 26047 8280 1 18 . 1 1 7 7 ILE HA H 7 4.071 4.071 4.258 -0.187 26047 8281 1 18 . 1 1 7 7 ILE C C 7 175.768 175.768 176.367 -0.599 26047 8282 1 18 . 1 1 7 7 ILE CA C 7 63.285 63.285 61.957 1.328 26047 8283 1 18 . 1 1 7 7 ILE CB C 7 39.659 39.659 39.315 0.344 26047 8284 1 18 . 1 1 7 7 ILE H H 7 9.329 9.329 8.977 0.352 26047 8285 1 18 . 1 1 8 8 SER N N 8 114.774 114.774 115.372 -0.598 26047 8286 1 18 . 1 1 8 8 SER HA H 8 4.987 4.987 4.951 0.036 26047 8287 1 18 . 1 1 8 8 SER C C 8 171.895 171.895 172.207 -0.312 26047 8288 1 18 . 1 1 8 8 SER CA C 8 55.577 55.577 54.873 0.704 26047 8289 1 18 . 1 1 8 8 SER CB C 8 64.384 64.384 64.812 -0.428 26047 8290 1 18 . 1 1 8 8 SER H H 8 8.300 8.300 7.988 0.312 26047 8291 1 18 . 1 1 9 9 PRO HA H 9 4.331 4.331 4.602 -0.271 26047 8292 1 18 . 1 1 9 9 PRO C C 9 177.628 177.628 176.708 0.920 26047 8293 1 18 . 1 1 9 9 PRO CA C 9 63.646 63.646 62.459 1.187 26047 8294 1 18 . 1 1 9 9 PRO CB C 9 32.910 32.910 32.819 0.091 26047 8295 1 18 . 1 1 10 10 GLY N N 10 107.910 107.910 112.453 -4.543 26047 8296 1 18 . 1 1 10 10 GLY C C 10 174.203 174.203 174.124 0.079 26047 8297 1 18 . 1 1 10 10 GLY CA C 10 44.176 44.176 45.061 -0.885 26047 8298 1 18 . 1 1 10 10 GLY H H 10 8.464 8.464 8.119 0.345 26047 8299 1 18 . 1 1 11 11 ASP N N 11 118.911 118.911 120.897 -1.986 26047 8300 1 18 . 1 1 11 11 ASP HA H 11 4.289 4.289 4.630 -0.341 26047 8301 1 18 . 1 1 11 11 ASP C C 11 178.317 178.317 177.362 0.955 26047 8302 1 18 . 1 1 11 11 ASP CA C 11 54.629 54.629 55.852 -1.223 26047 8303 1 18 . 1 1 11 11 ASP CB C 11 39.382 39.382 42.186 -2.804 26047 8304 1 18 . 1 1 11 11 ASP H H 11 8.049 8.049 8.103 -0.054 26047 8305 1 18 . 1 1 12 12 GLY N N 12 108.262 108.262 106.747 1.515 26047 8306 1 18 . 1 1 12 12 GLY C C 12 173.279 173.279 174.213 -0.934 26047 8307 1 18 . 1 1 12 12 GLY CA C 12 46.049 46.049 46.404 -0.355 26047 8308 1 18 . 1 1 12 12 GLY H H 12 8.719 8.719 8.157 0.562 26047 8309 1 18 . 1 1 13 13 ARG N N 13 117.671 117.671 116.918 0.753 26047 8310 1 18 . 1 1 13 13 ARG HA H 13 4.709 4.709 4.662 0.047 26047 8311 1 18 . 1 1 13 13 ARG C C 13 175.038 175.038 174.828 0.210 26047 8312 1 18 . 1 1 13 13 ARG CA C 13 56.794 56.794 55.723 1.071 26047 8313 1 18 . 1 1 13 13 ARG CB C 13 34.416 34.416 31.580 2.836 26047 8314 1 18 . 1 1 13 13 ARG H H 13 8.539 8.539 8.022 0.517 26047 8315 1 18 . 1 1 14 14 THR N N 14 125.323 125.323 118.165 7.158 26047 8316 1 18 . 1 1 14 14 THR HA H 14 4.205 4.205 4.621 -0.416 26047 8317 1 18 . 1 1 14 14 THR C C 14 172.353 172.353 172.845 -0.492 26047 8318 1 18 . 1 1 14 14 THR CA C 14 62.060 62.060 61.814 0.246 26047 8319 1 18 . 1 1 14 14 THR CB C 14 66.395 66.395 68.992 -2.597 26047 8320 1 18 . 1 1 14 14 THR H H 14 10.197 10.197 7.594 2.603 26047 8321 1 18 . 1 1 15 15 PHE N N 15 124.865 124.865 126.378 -1.513 26047 8322 1 18 . 1 1 15 15 PHE HA H 15 5.232 5.232 5.073 0.159 26047 8323 1 18 . 1 1 15 15 PHE C C 15 174.388 174.388 174.751 -0.363 26047 8324 1 18 . 1 1 15 15 PHE CA C 15 54.495 54.495 55.056 -0.561 26047 8325 1 18 . 1 1 15 15 PHE CB C 15 39.883 39.883 39.426 0.457 26047 8326 1 18 . 1 1 15 15 PHE H H 15 8.086 8.086 8.641 -0.555 26047 8327 1 18 . 1 1 19 19 GLY N N 19 112.901 112.901 113.008 -0.107 26047 8328 1 18 . 1 1 19 19 GLY C C 19 174.204 174.204 173.493 0.711 26047 8329 1 18 . 1 1 19 19 GLY CA C 19 44.943 44.943 45.361 -0.418 26047 8330 1 18 . 1 1 19 19 GLY H H 19 8.682 8.682 8.521 0.161 26047 8331 1 18 . 1 1 20 20 GLN N N 20 118.698 118.698 119.796 -1.098 26047 8332 1 18 . 1 1 20 20 GLN HA H 20 4.497 4.497 4.734 -0.237 26047 8333 1 18 . 1 1 20 20 GLN C C 20 174.974 174.974 174.688 0.286 26047 8334 1 18 . 1 1 20 20 GLN CA C 20 56.335 56.335 53.218 3.117 26047 8335 1 18 . 1 1 20 20 GLN CB C 20 30.891 30.891 29.963 0.928 26047 8336 1 18 . 1 1 20 20 GLN H H 20 8.103 8.103 7.961 0.142 26047 8337 1 18 . 1 1 21 21 THR N N 21 119.715 119.715 116.051 3.664 26047 8338 1 18 . 1 1 21 21 THR HA H 21 4.457 4.457 4.793 -0.336 26047 8339 1 18 . 1 1 21 21 THR C C 21 173.797 173.797 174.497 -0.700 26047 8340 1 18 . 1 1 21 21 THR CA C 21 63.067 63.067 62.247 0.820 26047 8341 1 18 . 1 1 21 21 THR CB C 21 68.825 68.825 69.376 -0.552 26047 8342 1 18 . 1 1 21 21 THR H H 21 8.729 8.729 8.427 0.302 26047 8343 1 18 . 1 1 22 22 CYS N N 22 126.008 126.008 124.806 1.202 26047 8344 1 18 . 1 1 22 22 CYS HA H 22 4.269 4.269 4.668 -0.399 26047 8345 1 18 . 1 1 22 22 CYS C C 22 172.458 172.458 173.900 -1.442 26047 8346 1 18 . 1 1 22 22 CYS CA C 22 58.011 58.011 58.051 -0.040 26047 8347 1 18 . 1 1 22 22 CYS CB C 22 28.794 28.794 29.346 -0.552 26047 8348 1 18 . 1 1 22 22 CYS H H 22 8.826 8.826 8.501 0.325 26047 8349 1 18 . 1 1 23 23 VAL N N 23 123.456 123.456 127.937 -4.481 26047 8350 1 18 . 1 1 23 23 VAL HA H 23 4.595 4.595 4.305 0.290 26047 8351 1 18 . 1 1 23 23 VAL C C 23 175.899 175.899 174.961 0.938 26047 8352 1 18 . 1 1 23 23 VAL CA C 23 61.411 61.411 62.480 -1.069 26047 8353 1 18 . 1 1 23 23 VAL CB C 23 31.277 31.277 31.350 -0.073 26047 8354 1 18 . 1 1 23 23 VAL H H 23 8.063 8.063 8.846 -0.783 26047 8355 1 18 . 1 1 24 24 VAL N N 24 118.126 118.126 119.784 -1.658 26047 8356 1 18 . 1 1 24 24 VAL HA H 24 5.852 5.852 5.066 0.786 26047 8357 1 18 . 1 1 24 24 VAL C C 24 175.589 175.589 174.417 1.172 26047 8358 1 18 . 1 1 24 24 VAL CA C 24 57.962 57.962 59.216 -1.254 26047 8359 1 18 . 1 1 24 24 VAL CB C 24 35.885 35.885 36.087 -0.202 26047 8360 1 18 . 1 1 24 24 VAL H H 24 9.620 9.620 8.769 0.851 26047 8361 1 18 . 1 1 25 25 HIS N N 25 118.824 118.824 122.693 -3.869 26047 8362 1 18 . 1 1 25 25 HIS HA H 25 5.865 5.865 5.290 0.575 26047 8363 1 18 . 1 1 25 25 HIS C C 25 176.663 176.663 174.964 1.699 26047 8364 1 18 . 1 1 25 25 HIS CA C 25 54.463 54.463 55.347 -0.884 26047 8365 1 18 . 1 1 25 25 HIS CB C 25 35.454 35.454 31.993 3.461 26047 8366 1 18 . 1 1 25 25 HIS H H 25 8.579 8.579 8.215 0.364 26047 8367 1 18 . 1 1 26 26 TYR N N 26 118.524 118.524 123.513 -4.989 26047 8368 1 18 . 1 1 26 26 TYR HA H 26 6.441 6.441 5.653 0.788 26047 8369 1 18 . 1 1 26 26 TYR C C 26 173.864 173.864 174.926 -1.062 26047 8370 1 18 . 1 1 26 26 TYR CA C 26 55.934 55.934 55.212 0.722 26047 8371 1 18 . 1 1 26 26 TYR CB C 26 44.380 44.380 41.005 3.375 26047 8372 1 18 . 1 1 26 26 TYR H H 26 9.937 9.937 9.112 0.825 26047 8373 1 18 . 1 1 27 27 THR N N 27 117.098 117.098 115.000 2.098 26047 8374 1 18 . 1 1 27 27 THR HA H 27 4.482 4.482 4.423 0.059 26047 8375 1 18 . 1 1 27 27 THR C C 27 172.648 172.648 173.404 -0.756 26047 8376 1 18 . 1 1 27 27 THR CA C 27 63.163 63.163 62.066 1.097 26047 8377 1 18 . 1 1 27 27 THR CB C 27 72.324 72.324 70.059 2.265 26047 8378 1 18 . 1 1 27 27 THR H H 27 8.716 8.716 8.748 -0.032 26047 8379 1 18 . 1 1 28 28 GLY N N 28 115.590 115.590 114.072 1.518 26047 8380 1 18 . 1 1 28 28 GLY C C 28 171.083 171.083 171.569 -0.486 26047 8381 1 18 . 1 1 28 28 GLY CA C 28 45.419 45.419 43.453 1.966 26047 8382 1 18 . 1 1 28 28 GLY H H 28 9.316 9.316 8.604 0.712 26047 8383 1 18 . 1 1 29 29 MET N N 29 125.723 125.723 124.305 1.418 26047 8384 1 18 . 1 1 29 29 MET HA H 29 5.251 5.251 4.548 0.703 26047 8385 1 18 . 1 1 29 29 MET C C 29 175.508 175.508 175.569 -0.061 26047 8386 1 18 . 1 1 29 29 MET CA C 29 54.221 54.221 54.200 0.021 26047 8387 1 18 . 1 1 29 29 MET CB C 29 37.913 37.913 36.790 1.123 26047 8388 1 18 . 1 1 29 29 MET H H 29 9.192 9.192 8.770 0.422 26047 8389 1 18 . 1 1 30 30 LEU N N 30 119.150 119.150 123.594 -4.444 26047 8390 1 18 . 1 1 30 30 LEU HA H 30 4.772 4.772 4.215 0.557 26047 8391 1 18 . 1 1 30 30 LEU C C 30 179.278 179.278 178.725 0.553 26047 8392 1 18 . 1 1 30 30 LEU CA C 30 54.169 54.169 56.047 -1.878 26047 8393 1 18 . 1 1 30 30 LEU CB C 30 41.634 41.634 42.596 -0.962 26047 8394 1 18 . 1 1 30 30 LEU H H 30 8.433 8.433 8.799 -0.366 26047 8395 1 18 . 1 1 31 31 GLU N N 31 120.636 120.636 120.989 -0.353 26047 8396 1 18 . 1 1 31 31 GLU HA H 31 3.816 3.816 4.001 -0.185 26047 8397 1 18 . 1 1 31 31 GLU C C 31 176.568 176.568 177.422 -0.854 26047 8398 1 18 . 1 1 31 31 GLU CA C 31 59.788 59.788 59.239 0.549 26047 8399 1 18 . 1 1 31 31 GLU CB C 31 29.883 29.883 29.701 0.182 26047 8400 1 18 . 1 1 31 31 GLU H H 31 9.110 9.110 9.003 0.107 26047 8401 1 18 . 1 1 32 32 ASP N N 32 115.429 115.429 115.181 0.248 26047 8402 1 18 . 1 1 32 32 ASP HA H 32 4.420 4.420 4.700 -0.280 26047 8403 1 18 . 1 1 32 32 ASP C C 32 177.209 177.209 176.251 0.958 26047 8404 1 18 . 1 1 32 32 ASP CA C 32 53.556 53.556 54.416 -0.860 26047 8405 1 18 . 1 1 32 32 ASP CB C 32 40.030 40.030 41.549 -1.519 26047 8406 1 18 . 1 1 32 32 ASP H H 32 7.826 7.826 8.301 -0.475 26047 8407 1 18 . 1 1 37 37 ASP N N 37 118.871 118.871 121.936 -3.065 26047 8408 1 18 . 1 1 37 37 ASP HA H 37 4.827 4.827 4.664 0.163 26047 8409 1 18 . 1 1 37 37 ASP C C 37 174.807 174.807 173.940 0.867 26047 8410 1 18 . 1 1 37 37 ASP CA C 37 54.739 54.739 55.289 -0.550 26047 8411 1 18 . 1 1 37 37 ASP CB C 37 44.386 44.386 43.782 0.604 26047 8412 1 18 . 1 1 37 37 ASP H H 37 6.765 6.765 7.716 -0.951 26047 8413 1 18 . 1 1 38 38 SER N N 38 118.532 118.532 118.316 0.216 26047 8414 1 18 . 1 1 38 38 SER HA H 38 4.581 4.581 4.614 -0.033 26047 8415 1 18 . 1 1 38 38 SER C C 38 174.967 174.967 175.201 -0.234 26047 8416 1 18 . 1 1 38 38 SER CA C 38 57.033 57.033 56.569 0.464 26047 8417 1 18 . 1 1 38 38 SER CB C 38 64.862 64.862 65.339 -0.477 26047 8418 1 18 . 1 1 38 38 SER H H 38 8.196 8.196 8.345 -0.149 26047 8419 1 18 . 1 1 39 39 SER N N 39 124.920 124.920 121.767 3.153 26047 8420 1 18 . 1 1 39 39 SER HA H 39 4.131 4.131 4.399 -0.268 26047 8421 1 18 . 1 1 39 39 SER C C 39 177.101 177.101 176.530 0.571 26047 8422 1 18 . 1 1 39 39 SER CA C 39 61.690 61.690 60.685 1.005 26047 8423 1 18 . 1 1 39 39 SER CB C 39 61.632 61.632 63.350 -1.718 26047 8424 1 18 . 1 1 39 39 SER H H 39 7.872 7.872 8.099 -0.227 26047 8425 1 18 . 1 1 40 40 ARG N N 40 124.309 124.309 120.188 4.121 26047 8426 1 18 . 1 1 40 40 ARG HA H 40 3.607 3.607 4.214 -0.607 26047 8427 1 18 . 1 1 40 40 ARG C C 40 179.844 179.844 177.821 2.023 26047 8428 1 18 . 1 1 40 40 ARG CA C 40 58.859 58.859 58.183 0.676 26047 8429 1 18 . 1 1 40 40 ARG CB C 40 28.763 28.763 29.176 -0.413 26047 8430 1 18 . 1 1 40 40 ARG H H 40 7.617 7.617 7.645 -0.028 26047 8431 1 18 . 1 1 41 41 ASP N N 41 118.394 118.394 119.558 -1.164 26047 8432 1 18 . 1 1 41 41 ASP HA H 41 4.314 4.314 4.419 -0.105 26047 8433 1 18 . 1 1 41 41 ASP C C 41 176.750 176.750 177.173 -0.423 26047 8434 1 18 . 1 1 41 41 ASP CA C 41 56.536 56.536 56.456 0.080 26047 8435 1 18 . 1 1 41 41 ASP CB C 41 40.095 40.095 40.870 -0.775 26047 8436 1 18 . 1 1 41 41 ASP H H 41 7.079 7.079 7.931 -0.852 26047 8437 1 18 . 1 1 42 42 ARG N N 42 115.037 115.037 116.326 -1.289 26047 8438 1 18 . 1 1 42 42 ARG HA H 42 4.431 4.431 4.439 -0.008 26047 8439 1 18 . 1 1 42 42 ARG C C 42 175.430 175.430 175.607 -0.177 26047 8440 1 18 . 1 1 42 42 ARG CA C 42 56.099 56.099 55.663 0.436 26047 8441 1 18 . 1 1 42 42 ARG CB C 42 31.577 31.577 30.999 0.578 26047 8442 1 18 . 1 1 42 42 ARG H H 42 6.859 6.859 7.718 -0.859 26047 8443 1 18 . 1 1 49 49 MET N N 49 123.105 123.105 120.114 2.991 26047 8444 1 18 . 1 1 49 49 MET HA H 49 4.681 4.681 5.031 -0.350 26047 8445 1 18 . 1 1 49 49 MET C C 49 176.492 176.492 175.175 1.317 26047 8446 1 18 . 1 1 49 49 MET CA C 49 54.487 54.487 54.409 0.078 26047 8447 1 18 . 1 1 49 49 MET CB C 49 33.755 33.755 34.216 -0.461 26047 8448 1 18 . 1 1 49 49 MET H H 49 9.261 9.261 8.446 0.815 26047 8449 1 18 . 1 1 50 50 LEU N N 50 131.689 131.689 123.888 7.801 26047 8450 1 18 . 1 1 50 50 LEU HA H 50 4.210 4.210 4.739 -0.529 26047 8451 1 18 . 1 1 50 50 LEU C C 50 177.825 177.825 178.077 -0.252 26047 8452 1 18 . 1 1 50 50 LEU CA C 50 57.249 57.249 54.174 3.075 26047 8453 1 18 . 1 1 50 50 LEU CB C 50 41.752 41.752 41.848 -0.096 26047 8454 1 18 . 1 1 50 50 LEU H H 50 8.633 8.633 7.936 0.698 26047 8455 1 18 . 1 1 54 54 GLU N N 54 117.417 117.417 119.607 -2.190 26047 8456 1 18 . 1 1 54 54 GLU HA H 54 4.220 4.220 4.291 -0.071 26047 8457 1 18 . 1 1 54 54 GLU C C 54 176.221 176.221 176.091 0.130 26047 8458 1 18 . 1 1 54 54 GLU CA C 54 57.447 57.447 58.099 -0.652 26047 8459 1 18 . 1 1 54 54 GLU CB C 54 31.200 31.200 30.484 0.716 26047 8460 1 18 . 1 1 54 54 GLU H H 54 9.389 9.389 8.932 0.457 26047 8461 1 18 . 1 1 55 55 VAL N N 55 108.426 108.426 114.666 -6.240 26047 8462 1 18 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.174 0.140 26047 8463 1 18 . 1 1 55 55 VAL C C 55 175.226 175.226 175.308 -0.082 26047 8464 1 18 . 1 1 55 55 VAL CA C 55 57.461 57.461 59.621 -2.160 26047 8465 1 18 . 1 1 55 55 VAL CB C 55 35.557 35.557 33.039 2.518 26047 8466 1 18 . 1 1 55 55 VAL H H 55 6.820 6.820 7.341 -0.521 26047 8467 1 18 . 1 1 56 56 ILE N N 56 111.618 111.618 113.324 -1.706 26047 8468 1 18 . 1 1 56 56 ILE HA H 56 3.853 3.853 4.081 -0.228 26047 8469 1 18 . 1 1 56 56 ILE C C 56 177.344 177.344 176.437 0.907 26047 8470 1 18 . 1 1 56 56 ILE CA C 56 61.975 61.975 60.417 1.558 26047 8471 1 18 . 1 1 56 56 ILE CB C 56 38.342 38.342 38.081 0.261 26047 8472 1 18 . 1 1 56 56 ILE H H 56 7.404 7.404 7.302 0.102 26047 8473 1 18 . 1 1 57 57 ARG N N 57 124.436 124.436 123.718 0.718 26047 8474 1 18 . 1 1 57 57 ARG HA H 57 4.063 4.063 4.013 0.050 26047 8475 1 18 . 1 1 57 57 ARG C C 57 179.428 179.428 178.552 0.876 26047 8476 1 18 . 1 1 57 57 ARG CA C 57 59.838 59.838 59.726 0.112 26047 8477 1 18 . 1 1 57 57 ARG CB C 57 30.630 30.630 30.175 0.455 26047 8478 1 18 . 1 1 57 57 ARG H H 57 8.631 8.631 8.479 0.152 26047 8479 1 18 . 1 1 58 58 GLY N N 58 107.151 107.151 105.049 2.102 26047 8480 1 18 . 1 1 58 58 GLY C C 58 175.210 175.210 175.463 -0.253 26047 8481 1 18 . 1 1 58 58 GLY CA C 58 47.621 47.621 46.654 0.967 26047 8482 1 18 . 1 1 58 58 GLY H H 58 9.688 9.688 7.980 1.708 26047 8483 1 18 . 1 1 59 59 TRP N N 59 119.956 119.956 121.450 -1.494 26047 8484 1 18 . 1 1 59 59 TRP HA H 59 4.227 4.227 4.528 -0.301 26047 8485 1 18 . 1 1 59 59 TRP C C 59 177.529 177.529 178.622 -1.093 26047 8486 1 18 . 1 1 59 59 TRP CA C 59 59.681 59.681 58.609 1.072 26047 8487 1 18 . 1 1 59 59 TRP CB C 59 29.092 29.092 29.381 -0.289 26047 8488 1 18 . 1 1 59 59 TRP H H 59 7.534 7.534 7.523 0.011 26047 8489 1 18 . 1 1 60 60 GLU N N 60 118.374 118.374 119.074 -0.700 26047 8490 1 18 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.215 -0.325 26047 8491 1 18 . 1 1 60 60 GLU C C 60 178.377 178.377 179.317 -0.940 26047 8492 1 18 . 1 1 60 60 GLU CA C 60 61.081 61.081 59.973 1.108 26047 8493 1 18 . 1 1 60 60 GLU CB C 60 29.417 29.417 29.492 -0.075 26047 8494 1 18 . 1 1 60 60 GLU H H 60 7.275 7.275 7.979 -0.704 26047 8495 1 18 . 1 1 61 61 GLU N N 61 113.896 113.896 117.321 -3.425 26047 8496 1 18 . 1 1 61 61 GLU HA H 61 4.149 4.149 4.370 -0.221 26047 8497 1 18 . 1 1 61 61 GLU C C 61 179.320 179.320 178.250 1.070 26047 8498 1 18 . 1 1 61 61 GLU CA C 61 58.633 58.633 58.160 0.473 26047 8499 1 18 . 1 1 61 61 GLU CB C 61 29.872 29.872 29.733 0.140 26047 8500 1 18 . 1 1 61 61 GLU H H 61 8.390 8.390 8.164 0.226 26047 8501 1 18 . 1 1 62 62 GLY N N 62 106.899 106.899 107.944 -1.045 26047 8502 1 18 . 1 1 62 62 GLY C C 62 174.585 174.585 176.192 -1.607 26047 8503 1 18 . 1 1 62 62 GLY CA C 62 47.194 47.194 46.023 1.171 26047 8504 1 18 . 1 1 62 62 GLY H H 62 7.932 7.932 7.701 0.231 26047 8505 1 18 . 1 1 63 63 VAL N N 63 120.730 120.730 122.377 -1.647 26047 8506 1 18 . 1 1 63 63 VAL HA H 63 3.927 3.927 3.814 0.113 26047 8507 1 18 . 1 1 63 63 VAL C C 63 177.334 177.334 177.343 -0.009 26047 8508 1 18 . 1 1 63 63 VAL CA C 63 65.419 65.419 65.255 0.164 26047 8509 1 18 . 1 1 63 63 VAL CB C 63 31.126 31.126 31.935 -0.809 26047 8510 1 18 . 1 1 63 63 VAL H H 63 8.688 8.688 8.577 0.111 26047 8511 1 18 . 1 1 64 64 ALA N N 64 117.132 117.132 120.357 -3.225 26047 8512 1 18 . 1 1 64 64 ALA HA H 64 4.014 4.014 4.307 -0.293 26047 8513 1 18 . 1 1 64 64 ALA C C 64 177.759 177.759 178.118 -0.359 26047 8514 1 18 . 1 1 64 64 ALA CA C 64 54.526 54.526 53.858 0.668 26047 8515 1 18 . 1 1 64 64 ALA CB C 64 18.715 18.715 18.580 0.135 26047 8516 1 18 . 1 1 64 64 ALA H H 64 7.160 7.160 8.137 -0.977 26047 8517 1 18 . 1 1 65 65 GLN N N 65 112.231 112.231 116.289 -4.058 26047 8518 1 18 . 1 1 65 65 GLN HA H 65 4.359 4.359 4.373 -0.014 26047 8519 1 18 . 1 1 65 65 GLN C C 65 175.568 175.568 175.827 -0.259 26047 8520 1 18 . 1 1 65 65 GLN CA C 65 55.459 55.459 56.015 -0.556 26047 8521 1 18 . 1 1 65 65 GLN CB C 65 30.028 30.028 29.501 0.527 26047 8522 1 18 . 1 1 65 65 GLN H H 65 7.143 7.143 7.850 -0.707 26047 8523 1 18 . 1 1 66 66 MET N N 66 122.412 122.412 117.917 4.495 26047 8524 1 18 . 1 1 66 66 MET HA H 66 4.788 4.788 4.834 -0.046 26047 8525 1 18 . 1 1 66 66 MET C C 66 172.467 172.467 175.101 -2.634 26047 8526 1 18 . 1 1 66 66 MET CA C 66 55.118 55.118 54.373 0.745 26047 8527 1 18 . 1 1 66 66 MET CB C 66 35.667 35.667 35.038 0.630 26047 8528 1 18 . 1 1 66 66 MET H H 66 7.965 7.965 7.486 0.479 26047 8529 1 18 . 1 1 67 67 SER N N 67 107.611 107.611 114.138 -6.527 26047 8530 1 18 . 1 1 67 67 SER HA H 67 4.833 4.833 4.479 0.354 26047 8531 1 18 . 1 1 67 67 SER C C 67 176.275 176.275 174.326 1.949 26047 8532 1 18 . 1 1 67 67 SER CA C 67 54.465 54.465 55.761 -1.296 26047 8533 1 18 . 1 1 67 67 SER CB C 67 65.982 65.982 65.042 0.940 26047 8534 1 18 . 1 1 67 67 SER H H 67 8.182 8.182 8.170 0.012 26047 8535 1 18 . 1 1 68 68 VAL N N 68 119.266 119.266 120.961 -1.695 26047 8536 1 18 . 1 1 68 68 VAL HA H 68 3.105 3.105 3.531 -0.426 26047 8537 1 18 . 1 1 68 68 VAL C C 68 176.390 176.390 176.439 -0.049 26047 8538 1 18 . 1 1 68 68 VAL CA C 68 67.074 67.074 65.224 1.850 26047 8539 1 18 . 1 1 68 68 VAL CB C 68 31.503 31.503 31.174 0.329 26047 8540 1 18 . 1 1 68 68 VAL H H 68 7.650 7.650 8.256 -0.606 26047 8541 1 18 . 1 1 69 69 GLY N N 69 116.900 116.900 113.825 3.075 26047 8542 1 18 . 1 1 69 69 GLY C C 69 173.934 173.934 173.747 0.187 26047 8543 1 18 . 1 1 69 69 GLY CA C 69 44.407 44.407 44.880 -0.473 26047 8544 1 18 . 1 1 69 69 GLY H H 69 8.855 8.855 8.725 0.130 26047 8545 1 18 . 1 1 70 70 GLN N N 70 123.210 123.210 120.645 2.565 26047 8546 1 18 . 1 1 70 70 GLN HA H 70 4.035 4.035 4.755 -0.720 26047 8547 1 18 . 1 1 70 70 GLN C C 70 173.663 173.663 174.448 -0.785 26047 8548 1 18 . 1 1 70 70 GLN CA C 70 55.788 55.788 54.790 0.998 26047 8549 1 18 . 1 1 70 70 GLN CB C 70 30.551 30.551 31.387 -0.837 26047 8550 1 18 . 1 1 70 70 GLN H H 70 8.607 8.607 7.917 0.690 26047 8551 1 18 . 1 1 71 71 ARG N N 71 124.586 124.586 126.230 -1.644 26047 8552 1 18 . 1 1 71 71 ARG HA H 71 5.660 5.660 4.849 0.811 26047 8553 1 18 . 1 1 71 71 ARG C C 71 175.582 175.582 173.994 1.588 26047 8554 1 18 . 1 1 71 71 ARG CA C 71 53.936 53.936 54.690 -0.754 26047 8555 1 18 . 1 1 71 71 ARG CB C 71 33.739 33.739 32.555 1.184 26047 8556 1 18 . 1 1 71 71 ARG H H 71 8.802 8.802 8.647 0.155 26047 8557 1 18 . 1 1 75 75 THR N N 75 121.856 121.856 121.362 0.494 26047 8558 1 18 . 1 1 75 75 THR HA H 75 5.052 5.052 4.729 0.323 26047 8559 1 18 . 1 1 75 75 THR C C 75 175.079 175.079 173.761 1.318 26047 8560 1 18 . 1 1 75 75 THR CA C 75 63.355 63.355 62.919 0.436 26047 8561 1 18 . 1 1 75 75 THR CB C 75 68.790 68.790 69.249 -0.459 26047 8562 1 18 . 1 1 75 75 THR H H 75 8.884 8.884 8.881 0.003 26047 8563 1 18 . 1 1 76 76 ILE N N 76 129.859 129.859 127.676 2.183 26047 8564 1 18 . 1 1 76 76 ILE HA H 76 4.680 4.680 4.578 0.102 26047 8565 1 18 . 1 1 76 76 ILE C C 76 173.943 173.943 175.267 -1.324 26047 8566 1 18 . 1 1 76 76 ILE CA C 76 60.898 60.898 58.455 2.443 26047 8567 1 18 . 1 1 76 76 ILE CB C 76 41.236 41.236 39.849 1.387 26047 8568 1 18 . 1 1 76 76 ILE H H 76 9.864 9.864 8.700 1.164 26047 8569 1 18 . 1 1 77 77 SER N N 77 123.243 123.243 120.279 2.964 26047 8570 1 18 . 1 1 77 77 SER HA H 77 4.732 4.732 5.070 -0.338 26047 8571 1 18 . 1 1 77 77 SER C C 77 173.647 173.647 174.161 -0.514 26047 8572 1 18 . 1 1 77 77 SER CA C 77 57.726 57.726 55.359 2.367 26047 8573 1 18 . 1 1 77 77 SER CB C 77 62.763 62.763 63.846 -1.083 26047 8574 1 18 . 1 1 77 77 SER H H 77 8.612 8.612 8.704 -0.092 26047 8575 1 18 . 1 1 78 78 PRO HA H 78 4.488 4.488 4.409 0.079 26047 8576 1 18 . 1 1 78 78 PRO C C 78 180.133 180.133 177.167 2.966 26047 8577 1 18 . 1 1 78 78 PRO CA C 78 65.828 65.828 65.094 0.734 26047 8578 1 18 . 1 1 78 78 PRO CB C 78 30.995 30.995 32.134 -1.139 26047 8579 1 18 . 1 1 79 79 ASP N N 79 115.934 115.934 115.719 0.215 26047 8580 1 18 . 1 1 79 79 ASP HA H 79 4.390 4.390 4.552 -0.162 26047 8581 1 18 . 1 1 79 79 ASP C C 79 176.810 176.810 177.299 -0.489 26047 8582 1 18 . 1 1 79 79 ASP CA C 79 56.159 56.159 56.160 -0.001 26047 8583 1 18 . 1 1 79 79 ASP CB C 79 39.361 39.361 41.168 -1.807 26047 8584 1 18 . 1 1 79 79 ASP H H 79 8.799 8.799 8.667 0.132 26047 8585 1 18 . 1 1 80 80 TYR N N 80 120.969 120.969 118.744 2.225 26047 8586 1 18 . 1 1 80 80 TYR HA H 80 4.377 4.377 4.491 -0.114 26047 8587 1 18 . 1 1 80 80 TYR C C 80 173.332 173.332 176.020 -2.688 26047 8588 1 18 . 1 1 80 80 TYR CA C 80 57.597 57.597 59.437 -1.840 26047 8589 1 18 . 1 1 80 80 TYR CB C 80 38.903 38.903 40.039 -1.137 26047 8590 1 18 . 1 1 80 80 TYR H H 80 8.116 8.116 7.710 0.406 26047 8591 1 18 . 1 1 81 81 ALA N N 81 125.669 125.669 122.704 2.965 26047 8592 1 18 . 1 1 81 81 ALA HA H 81 4.421 4.421 3.981 0.440 26047 8593 1 18 . 1 1 81 81 ALA C C 81 175.888 175.888 177.210 -1.322 26047 8594 1 18 . 1 1 81 81 ALA CA C 81 51.701 51.701 54.533 -2.832 26047 8595 1 18 . 1 1 81 81 ALA CB C 81 19.334 19.334 19.085 0.249 26047 8596 1 18 . 1 1 81 81 ALA H H 81 7.801 7.801 8.374 -0.573 26047 8597 1 18 . 1 1 82 82 TYR N N 82 122.080 122.080 114.750 7.330 26047 8598 1 18 . 1 1 82 82 TYR HA H 82 4.566 4.566 4.578 -0.012 26047 8599 1 18 . 1 1 82 82 TYR C C 82 176.653 176.653 176.486 0.167 26047 8600 1 18 . 1 1 82 82 TYR CA C 82 58.865 58.865 58.300 0.566 26047 8601 1 18 . 1 1 82 82 TYR CB C 82 37.995 37.995 41.813 -3.818 26047 8602 1 18 . 1 1 82 82 TYR H H 82 9.321 9.321 7.602 1.719 26047 8603 1 18 . 1 1 83 83 GLY N N 83 108.394 108.394 106.609 1.785 26047 8604 1 18 . 1 1 83 83 GLY C C 83 175.214 175.214 172.793 2.421 26047 8605 1 18 . 1 1 83 83 GLY CA C 83 46.827 46.827 45.254 1.573 26047 8606 1 18 . 1 1 83 83 GLY H H 83 8.535 8.535 7.895 0.640 26047 8607 1 18 . 1 1 84 84 ALA HA H 84 3.273 3.273 4.385 -1.112 26047 8608 1 18 . 1 1 84 84 ALA C C 84 177.536 177.536 177.851 -0.315 26047 8609 1 18 . 1 1 84 84 ALA CA C 84 53.514 53.514 53.646 -0.132 26047 8610 1 18 . 1 1 84 84 ALA CB C 84 19.318 19.318 18.839 0.479 26047 8611 1 18 . 1 1 85 85 THR N N 85 109.341 109.341 113.372 -4.031 26047 8612 1 18 . 1 1 85 85 THR HA H 85 4.038 4.038 4.237 -0.199 26047 8613 1 18 . 1 1 85 85 THR C C 85 177.149 177.149 175.470 1.679 26047 8614 1 18 . 1 1 85 85 THR CA C 85 64.040 64.040 62.524 1.516 26047 8615 1 18 . 1 1 85 85 THR CB C 85 69.466 69.466 69.566 -0.100 26047 8616 1 18 . 1 1 85 85 THR H H 85 7.927 7.927 7.990 -0.063 26047 8617 1 18 . 1 1 86 86 GLY N N 86 106.961 106.961 109.214 -2.253 26047 8618 1 18 . 1 1 86 86 GLY C C 86 171.567 171.567 173.032 -1.465 26047 8619 1 18 . 1 1 86 86 GLY CA C 86 45.151 45.151 44.609 0.542 26047 8620 1 18 . 1 1 86 86 GLY H H 86 7.341 7.341 7.717 -0.376 26047 8621 1 18 . 1 1 87 87 HIS N N 87 121.870 121.870 120.400 1.470 26047 8622 1 18 . 1 1 87 87 HIS HA H 87 4.967 4.967 4.665 0.302 26047 8623 1 18 . 1 1 87 87 HIS C C 87 172.750 172.750 173.675 -0.925 26047 8624 1 18 . 1 1 87 87 HIS CA C 87 53.029 53.029 52.665 0.364 26047 8625 1 18 . 1 1 87 87 HIS CB C 87 32.349 32.349 30.662 1.687 26047 8626 1 18 . 1 1 87 87 HIS H H 87 8.799 8.799 8.071 0.728 26047 8627 1 18 . 1 1 88 88 PRO HA H 88 4.132 4.132 4.303 -0.171 26047 8628 1 18 . 1 1 88 88 PRO C C 88 176.585 176.585 177.421 -0.836 26047 8629 1 18 . 1 1 88 88 PRO CA C 88 65.123 65.123 63.664 1.458 26047 8630 1 18 . 1 1 88 88 PRO CB C 88 31.851 31.851 31.702 0.149 26047 8631 1 18 . 1 1 89 89 GLY N N 89 113.445 113.445 113.337 0.108 26047 8632 1 18 . 1 1 89 89 GLY C C 89 174.030 174.030 174.743 -0.713 26047 8633 1 18 . 1 1 89 89 GLY CA C 89 45.251 45.251 45.149 0.102 26047 8634 1 18 . 1 1 89 89 GLY H H 89 8.571 8.571 8.712 -0.141 26047 8635 1 18 . 1 1 90 90 ILE N N 90 118.128 118.128 121.100 -2.972 26047 8636 1 18 . 1 1 90 90 ILE HA H 90 4.252 4.252 4.215 0.037 26047 8637 1 18 . 1 1 90 90 ILE C C 90 174.403 174.403 175.915 -1.512 26047 8638 1 18 . 1 1 90 90 ILE CA C 90 62.855 62.855 62.578 0.277 26047 8639 1 18 . 1 1 90 90 ILE CB C 90 41.565 41.565 38.983 2.583 26047 8640 1 18 . 1 1 90 90 ILE H H 90 8.103 8.103 7.618 0.485 26047 8641 1 18 . 1 1 91 91 ILE N N 91 119.444 119.444 120.157 -0.713 26047 8642 1 18 . 1 1 91 91 ILE HA H 91 4.506 4.506 4.324 0.182 26047 8643 1 18 . 1 1 91 91 ILE C C 91 174.345 174.345 173.975 0.370 26047 8644 1 18 . 1 1 91 91 ILE CA C 91 56.335 56.335 57.024 -0.689 26047 8645 1 18 . 1 1 91 91 ILE CB C 91 40.719 40.719 36.438 4.281 26047 8646 1 18 . 1 1 91 91 ILE H H 91 8.241 8.241 7.550 0.691 26047 8647 1 18 . 1 1 92 92 PRO HA H 92 4.717 4.717 4.662 0.055 26047 8648 1 18 . 1 1 92 92 PRO CB C 92 31.011 31.011 31.312 -0.301 26047 8649 1 18 . 1 1 93 93 PRO HA H 93 3.617 3.617 4.335 -0.718 26047 8650 1 18 . 1 1 93 93 PRO C C 93 175.714 175.714 176.661 -0.947 26047 8651 1 18 . 1 1 93 93 PRO CA C 93 63.618 63.618 63.232 0.386 26047 8652 1 18 . 1 1 93 93 PRO CB C 93 33.171 33.171 32.438 0.733 26047 8653 1 18 . 1 1 94 94 HIS N N 94 115.851 115.851 115.500 0.351 26047 8654 1 18 . 1 1 94 94 HIS HA H 94 3.804 3.804 4.234 -0.430 26047 8655 1 18 . 1 1 94 94 HIS C C 94 173.821 173.821 173.832 -0.011 26047 8656 1 18 . 1 1 94 94 HIS CA C 94 57.145 57.145 57.117 0.028 26047 8657 1 18 . 1 1 94 94 HIS CB C 94 27.977 27.977 28.065 -0.088 26047 8658 1 18 . 1 1 94 94 HIS H H 94 7.934 7.934 8.282 -0.348 26047 8659 1 18 . 1 1 95 95 ALA N N 95 122.072 122.072 120.949 1.123 26047 8660 1 18 . 1 1 95 95 ALA HA H 95 4.459 4.459 4.641 -0.182 26047 8661 1 18 . 1 1 95 95 ALA C C 95 177.246 177.246 175.477 1.769 26047 8662 1 18 . 1 1 95 95 ALA CA C 95 52.728 52.728 50.863 1.865 26047 8663 1 18 . 1 1 95 95 ALA CB C 95 20.567 20.567 21.893 -1.327 26047 8664 1 18 . 1 1 95 95 ALA H H 95 7.706 7.706 7.776 -0.070 26047 8665 1 18 . 1 1 96 96 THR N N 96 122.875 122.875 118.826 4.049 26047 8666 1 18 . 1 1 96 96 THR HA H 96 4.650 4.650 4.518 0.132 26047 8667 1 18 . 1 1 96 96 THR C C 96 173.818 173.818 173.950 -0.132 26047 8668 1 18 . 1 1 96 96 THR CA C 96 63.778 63.778 63.466 0.312 26047 8669 1 18 . 1 1 96 96 THR CB C 96 69.588 69.588 69.678 -0.090 26047 8670 1 18 . 1 1 96 96 THR H H 96 8.448 8.448 8.275 0.173 26047 8671 1 18 . 1 1 97 97 LEU N N 97 124.809 124.809 124.501 0.308 26047 8672 1 18 . 1 1 97 97 LEU HA H 97 5.110 5.110 4.730 0.380 26047 8673 1 18 . 1 1 97 97 LEU C C 97 175.041 175.041 175.426 -0.385 26047 8674 1 18 . 1 1 97 97 LEU CA C 97 52.832 52.832 53.992 -1.160 26047 8675 1 18 . 1 1 97 97 LEU CB C 97 46.391 46.391 45.464 0.927 26047 8676 1 18 . 1 1 97 97 LEU H H 97 8.725 8.725 9.041 -0.316 26047 8677 1 18 . 1 1 98 98 VAL N N 98 121.081 121.081 118.733 2.348 26047 8678 1 18 . 1 1 98 98 VAL HA H 98 5.215 5.215 4.485 0.730 26047 8679 1 18 . 1 1 98 98 VAL C C 98 175.150 175.150 174.459 0.691 26047 8680 1 18 . 1 1 98 98 VAL CA C 98 60.662 60.662 61.562 -0.901 26047 8681 1 18 . 1 1 98 98 VAL CB C 98 34.355 34.355 33.944 0.411 26047 8682 1 18 . 1 1 98 98 VAL H H 98 8.692 8.692 8.545 0.147 26047 8683 1 18 . 1 1 99 99 PHE N N 99 123.638 123.638 125.725 -2.087 26047 8684 1 18 . 1 1 99 99 PHE HA H 99 5.754 5.754 5.580 0.174 26047 8685 1 18 . 1 1 99 99 PHE C C 99 174.328 174.328 173.993 0.335 26047 8686 1 18 . 1 1 99 99 PHE CA C 99 55.196 55.196 56.461 -1.265 26047 8687 1 18 . 1 1 99 99 PHE CB C 99 43.396 43.396 43.562 -0.166 26047 8688 1 18 . 1 1 99 99 PHE H H 99 9.724 9.724 9.212 0.512 26047 8689 1 18 . 1 1 100 100 ASP N N 100 124.358 124.358 124.846 -0.488 26047 8690 1 18 . 1 1 100 100 ASP HA H 100 5.164 5.164 5.040 0.124 26047 8691 1 18 . 1 1 100 100 ASP C C 100 176.946 176.946 175.283 1.663 26047 8692 1 18 . 1 1 100 100 ASP CA C 100 52.778 52.778 53.127 -0.349 26047 8693 1 18 . 1 1 100 100 ASP CB C 100 42.320 42.320 43.437 -1.117 26047 8694 1 18 . 1 1 100 100 ASP H H 100 8.775 8.775 8.527 0.248 26047 8695 1 18 . 1 1 101 101 VAL N N 101 126.428 126.428 121.508 4.920 26047 8696 1 18 . 1 1 101 101 VAL HA H 101 5.057 5.057 5.491 -0.434 26047 8697 1 18 . 1 1 101 101 VAL C C 101 172.620 172.620 174.158 -1.538 26047 8698 1 18 . 1 1 101 101 VAL CA C 101 61.041 61.041 58.538 2.503 26047 8699 1 18 . 1 1 101 101 VAL CB C 101 35.481 35.481 34.309 1.172 26047 8700 1 18 . 1 1 101 101 VAL H H 101 9.513 9.513 7.745 1.768 26047 8701 1 18 . 1 1 102 102 GLU N N 102 128.393 128.393 120.496 7.897 26047 8702 1 18 . 1 1 102 102 GLU HA H 102 5.392 5.392 4.882 0.510 26047 8703 1 18 . 1 1 102 102 GLU C C 102 175.174 175.174 175.013 0.161 26047 8704 1 18 . 1 1 102 102 GLU CA C 102 53.979 53.979 53.916 0.063 26047 8705 1 18 . 1 1 102 102 GLU CB C 102 33.852 33.852 32.696 1.156 26047 8706 1 18 . 1 1 102 102 GLU H H 102 9.285 9.285 8.132 1.153 26047 8707 1 18 . 1 1 103 103 LEU N N 103 128.290 128.290 125.695 2.595 26047 8708 1 18 . 1 1 103 103 LEU HA H 103 4.671 4.671 4.322 0.349 26047 8709 1 18 . 1 1 103 103 LEU C C 103 174.266 174.266 175.838 -1.572 26047 8710 1 18 . 1 1 103 103 LEU CA C 103 54.356 54.356 54.701 -0.345 26047 8711 1 18 . 1 1 103 103 LEU CB C 103 41.465 41.465 40.545 0.919 26047 8712 1 18 . 1 1 103 103 LEU H H 103 8.613 8.613 8.753 -0.140 26047 8713 1 19 . 1 1 -2 -2 PRO HA H -2 4.485 4.485 4.544 -0.059 26047 8714 1 19 . 1 1 -2 -2 PRO C C -2 176.570 176.570 176.594 -0.024 26047 8715 1 19 . 1 1 -2 -2 PRO CA C -2 63.243 63.243 62.855 0.388 26047 8716 1 19 . 1 1 -2 -2 PRO CB C -2 32.290 32.290 32.150 0.140 26047 8717 1 19 . 1 1 -1 -1 SER N N -1 116.659 116.659 116.495 0.164 26047 8718 1 19 . 1 1 -1 -1 SER HA H -1 4.422 4.422 4.265 0.157 26047 8719 1 19 . 1 1 -1 -1 SER C C -1 174.384 174.384 173.851 0.533 26047 8720 1 19 . 1 1 -1 -1 SER CA C -1 58.230 58.230 58.331 -0.101 26047 8721 1 19 . 1 1 -1 -1 SER CB C -1 63.838 63.838 63.570 0.268 26047 8722 1 19 . 1 1 -1 -1 SER H H -1 8.542 8.542 8.328 0.214 26047 8723 1 19 . 1 1 0 0 MET N N 0 122.115 122.115 122.924 -0.809 26047 8724 1 19 . 1 1 0 0 MET HA H 0 4.441 4.441 4.714 -0.273 26047 8725 1 19 . 1 1 0 0 MET C C 0 176.182 176.182 175.958 0.224 26047 8726 1 19 . 1 1 0 0 MET CA C 0 55.346 55.346 55.506 -0.160 26047 8727 1 19 . 1 1 0 0 MET CB C 0 33.248 33.248 35.362 -2.114 26047 8728 1 19 . 1 1 0 0 MET H H 0 8.356 8.356 8.417 -0.061 26047 8729 1 19 . 1 1 1 1 GLY N N 1 110.724 110.724 110.360 0.364 26047 8730 1 19 . 1 1 1 1 GLY C C 1 172.468 172.468 172.049 0.419 26047 8731 1 19 . 1 1 1 1 GLY CA C 1 45.585 45.585 44.950 0.635 26047 8732 1 19 . 1 1 1 1 GLY H H 1 8.157 8.157 8.022 0.135 26047 8733 1 19 . 1 1 2 2 VAL N N 2 117.765 117.765 119.227 -1.462 26047 8734 1 19 . 1 1 2 2 VAL HA H 2 4.889 4.889 5.261 -0.372 26047 8735 1 19 . 1 1 2 2 VAL C C 2 173.396 173.396 174.061 -0.665 26047 8736 1 19 . 1 1 2 2 VAL CA C 2 59.731 59.731 60.086 -0.355 26047 8737 1 19 . 1 1 2 2 VAL CB C 2 34.600 34.600 34.634 -0.034 26047 8738 1 19 . 1 1 2 2 VAL H H 2 7.471 7.471 7.279 0.192 26047 8739 1 19 . 1 1 3 3 GLN N N 3 126.962 126.962 128.686 -1.724 26047 8740 1 19 . 1 1 3 3 GLN HA H 3 4.686 4.686 4.706 -0.020 26047 8741 1 19 . 1 1 3 3 GLN C C 3 174.658 174.658 174.801 -0.143 26047 8742 1 19 . 1 1 3 3 GLN CA C 3 54.379 54.379 54.762 -0.383 26047 8743 1 19 . 1 1 3 3 GLN CB C 3 31.669 31.669 31.336 0.333 26047 8744 1 19 . 1 1 3 3 GLN H H 3 8.514 8.514 8.166 0.348 26047 8745 1 19 . 1 1 4 4 VAL N N 4 125.396 125.396 125.349 0.047 26047 8746 1 19 . 1 1 4 4 VAL HA H 4 4.520 4.520 4.296 0.224 26047 8747 1 19 . 1 1 4 4 VAL C C 4 175.411 175.411 175.305 0.106 26047 8748 1 19 . 1 1 4 4 VAL CA C 4 61.993 61.993 61.859 0.134 26047 8749 1 19 . 1 1 4 4 VAL CB C 4 33.355 33.355 33.024 0.331 26047 8750 1 19 . 1 1 4 4 VAL H H 4 8.823 8.823 8.628 0.195 26047 8751 1 19 . 1 1 5 5 GLU N N 5 128.706 128.706 128.031 0.675 26047 8752 1 19 . 1 1 5 5 GLU HA H 5 4.782 4.782 4.660 0.122 26047 8753 1 19 . 1 1 5 5 GLU C C 5 175.830 175.830 175.636 0.194 26047 8754 1 19 . 1 1 5 5 GLU CA C 5 54.451 54.451 54.525 -0.074 26047 8755 1 19 . 1 1 5 5 GLU CB C 5 32.818 32.818 31.363 1.455 26047 8756 1 19 . 1 1 5 5 GLU H H 5 9.024 9.024 8.725 0.299 26047 8757 1 19 . 1 1 6 6 THR N N 6 124.408 124.408 120.423 3.985 26047 8758 1 19 . 1 1 6 6 THR HA H 6 3.898 3.898 4.206 -0.308 26047 8759 1 19 . 1 1 6 6 THR C C 6 173.675 173.675 174.170 -0.495 26047 8760 1 19 . 1 1 6 6 THR CA C 6 66.715 66.715 63.456 3.259 26047 8761 1 19 . 1 1 6 6 THR CB C 6 68.934 68.934 69.303 -0.369 26047 8762 1 19 . 1 1 6 6 THR H H 6 9.173 9.173 8.668 0.505 26047 8763 1 19 . 1 1 7 7 ILE N N 7 129.476 129.476 127.565 1.911 26047 8764 1 19 . 1 1 7 7 ILE HA H 7 4.071 4.071 4.281 -0.210 26047 8765 1 19 . 1 1 7 7 ILE C C 7 175.768 175.768 176.252 -0.484 26047 8766 1 19 . 1 1 7 7 ILE CA C 7 63.285 63.285 61.880 1.405 26047 8767 1 19 . 1 1 7 7 ILE CB C 7 39.659 39.659 39.357 0.302 26047 8768 1 19 . 1 1 7 7 ILE H H 7 9.329 9.329 9.053 0.276 26047 8769 1 19 . 1 1 8 8 SER N N 8 114.774 114.774 115.386 -0.612 26047 8770 1 19 . 1 1 8 8 SER HA H 8 4.987 4.987 4.955 0.032 26047 8771 1 19 . 1 1 8 8 SER C C 8 171.895 171.895 172.173 -0.278 26047 8772 1 19 . 1 1 8 8 SER CA C 8 55.577 55.577 54.828 0.749 26047 8773 1 19 . 1 1 8 8 SER CB C 8 64.384 64.384 64.799 -0.415 26047 8774 1 19 . 1 1 8 8 SER H H 8 8.300 8.300 7.988 0.312 26047 8775 1 19 . 1 1 9 9 PRO HA H 9 4.331 4.331 4.601 -0.270 26047 8776 1 19 . 1 1 9 9 PRO C C 9 177.628 177.628 176.704 0.924 26047 8777 1 19 . 1 1 9 9 PRO CA C 9 63.646 63.646 62.439 1.207 26047 8778 1 19 . 1 1 9 9 PRO CB C 9 32.910 32.910 32.838 0.072 26047 8779 1 19 . 1 1 10 10 GLY N N 10 107.910 107.910 112.409 -4.499 26047 8780 1 19 . 1 1 10 10 GLY C C 10 174.203 174.203 174.116 0.087 26047 8781 1 19 . 1 1 10 10 GLY CA C 10 44.176 44.176 45.057 -0.881 26047 8782 1 19 . 1 1 10 10 GLY H H 10 8.464 8.464 8.121 0.343 26047 8783 1 19 . 1 1 11 11 ASP N N 11 118.911 118.911 121.396 -2.485 26047 8784 1 19 . 1 1 11 11 ASP HA H 11 4.289 4.289 4.550 -0.261 26047 8785 1 19 . 1 1 11 11 ASP C C 11 178.317 178.317 177.349 0.968 26047 8786 1 19 . 1 1 11 11 ASP CA C 11 54.629 54.629 55.276 -0.646 26047 8787 1 19 . 1 1 11 11 ASP CB C 11 39.382 39.382 42.105 -2.723 26047 8788 1 19 . 1 1 11 11 ASP H H 11 8.049 8.049 8.060 -0.011 26047 8789 1 19 . 1 1 12 12 GLY N N 12 108.262 108.262 107.414 0.848 26047 8790 1 19 . 1 1 12 12 GLY C C 12 173.279 173.279 174.399 -1.120 26047 8791 1 19 . 1 1 12 12 GLY CA C 12 46.049 46.049 45.891 0.158 26047 8792 1 19 . 1 1 12 12 GLY H H 12 8.719 8.719 8.113 0.606 26047 8793 1 19 . 1 1 13 13 ARG N N 13 117.671 117.671 116.930 0.741 26047 8794 1 19 . 1 1 13 13 ARG HA H 13 4.709 4.709 4.661 0.048 26047 8795 1 19 . 1 1 13 13 ARG C C 13 175.038 175.038 174.840 0.198 26047 8796 1 19 . 1 1 13 13 ARG CA C 13 56.794 56.794 55.725 1.069 26047 8797 1 19 . 1 1 13 13 ARG CB C 13 34.416 34.416 31.574 2.842 26047 8798 1 19 . 1 1 13 13 ARG H H 13 8.539 8.539 8.025 0.514 26047 8799 1 19 . 1 1 14 14 THR N N 14 125.323 125.323 118.169 7.154 26047 8800 1 19 . 1 1 14 14 THR HA H 14 4.205 4.205 4.618 -0.413 26047 8801 1 19 . 1 1 14 14 THR C C 14 172.353 172.353 172.843 -0.490 26047 8802 1 19 . 1 1 14 14 THR CA C 14 62.060 62.060 61.814 0.246 26047 8803 1 19 . 1 1 14 14 THR CB C 14 66.395 66.395 68.975 -2.580 26047 8804 1 19 . 1 1 14 14 THR H H 14 10.197 10.197 7.597 2.600 26047 8805 1 19 . 1 1 15 15 PHE N N 15 124.865 124.865 126.323 -1.458 26047 8806 1 19 . 1 1 15 15 PHE HA H 15 5.232 5.232 5.205 0.027 26047 8807 1 19 . 1 1 15 15 PHE C C 15 174.388 174.388 174.740 -0.352 26047 8808 1 19 . 1 1 15 15 PHE CA C 15 54.495 54.495 55.049 -0.554 26047 8809 1 19 . 1 1 15 15 PHE CB C 15 39.883 39.883 39.455 0.428 26047 8810 1 19 . 1 1 15 15 PHE H H 15 8.086 8.086 8.627 -0.541 26047 8811 1 19 . 1 1 19 19 GLY N N 19 112.901 112.901 112.456 0.445 26047 8812 1 19 . 1 1 19 19 GLY C C 19 174.204 174.204 173.245 0.959 26047 8813 1 19 . 1 1 19 19 GLY CA C 19 44.943 44.943 44.886 0.057 26047 8814 1 19 . 1 1 19 19 GLY H H 19 8.682 8.682 8.365 0.317 26047 8815 1 19 . 1 1 20 20 GLN N N 20 118.698 118.698 119.865 -1.167 26047 8816 1 19 . 1 1 20 20 GLN HA H 20 4.497 4.497 4.583 -0.086 26047 8817 1 19 . 1 1 20 20 GLN C C 20 174.974 174.974 174.909 0.065 26047 8818 1 19 . 1 1 20 20 GLN CA C 20 56.335 56.335 54.155 2.180 26047 8819 1 19 . 1 1 20 20 GLN CB C 20 30.891 30.891 29.804 1.087 26047 8820 1 19 . 1 1 20 20 GLN H H 20 8.103 8.103 7.690 0.413 26047 8821 1 19 . 1 1 21 21 THR N N 21 119.715 119.715 116.032 3.683 26047 8822 1 19 . 1 1 21 21 THR HA H 21 4.457 4.457 4.721 -0.264 26047 8823 1 19 . 1 1 21 21 THR C C 21 173.797 173.797 174.158 -0.361 26047 8824 1 19 . 1 1 21 21 THR CA C 21 63.067 63.067 62.058 1.009 26047 8825 1 19 . 1 1 21 21 THR CB C 21 68.825 68.825 69.437 -0.612 26047 8826 1 19 . 1 1 21 21 THR H H 21 8.729 8.729 8.457 0.272 26047 8827 1 19 . 1 1 22 22 CYS N N 22 126.008 126.008 124.785 1.223 26047 8828 1 19 . 1 1 22 22 CYS HA H 22 4.269 4.269 4.644 -0.375 26047 8829 1 19 . 1 1 22 22 CYS C C 22 172.458 172.458 173.242 -0.784 26047 8830 1 19 . 1 1 22 22 CYS CA C 22 58.011 58.011 56.578 1.433 26047 8831 1 19 . 1 1 22 22 CYS CB C 22 28.794 28.794 28.645 0.149 26047 8832 1 19 . 1 1 22 22 CYS H H 22 8.826 8.826 8.413 0.413 26047 8833 1 19 . 1 1 23 23 VAL N N 23 123.456 123.456 130.020 -6.564 26047 8834 1 19 . 1 1 23 23 VAL HA H 23 4.595 4.595 4.365 0.230 26047 8835 1 19 . 1 1 23 23 VAL C C 23 175.899 175.899 174.894 1.005 26047 8836 1 19 . 1 1 23 23 VAL CA C 23 61.411 61.411 62.381 -0.970 26047 8837 1 19 . 1 1 23 23 VAL CB C 23 31.277 31.277 30.801 0.476 26047 8838 1 19 . 1 1 23 23 VAL H H 23 8.063 8.063 8.794 -0.731 26047 8839 1 19 . 1 1 24 24 VAL N N 24 118.126 118.126 119.792 -1.666 26047 8840 1 19 . 1 1 24 24 VAL HA H 24 5.852 5.852 5.013 0.839 26047 8841 1 19 . 1 1 24 24 VAL C C 24 175.589 175.589 174.469 1.120 26047 8842 1 19 . 1 1 24 24 VAL CA C 24 57.962 57.962 59.405 -1.443 26047 8843 1 19 . 1 1 24 24 VAL CB C 24 35.885 35.885 36.134 -0.249 26047 8844 1 19 . 1 1 24 24 VAL H H 24 9.620 9.620 8.804 0.816 26047 8845 1 19 . 1 1 25 25 HIS N N 25 118.824 118.824 122.622 -3.798 26047 8846 1 19 . 1 1 25 25 HIS HA H 25 5.865 5.865 5.058 0.807 26047 8847 1 19 . 1 1 25 25 HIS C C 25 176.663 176.663 174.419 2.244 26047 8848 1 19 . 1 1 25 25 HIS CA C 25 54.463 54.463 55.516 -1.053 26047 8849 1 19 . 1 1 25 25 HIS CB C 25 35.454 35.454 32.131 3.323 26047 8850 1 19 . 1 1 25 25 HIS H H 25 8.579 8.579 8.341 0.238 26047 8851 1 19 . 1 1 26 26 TYR N N 26 118.524 118.524 122.992 -4.468 26047 8852 1 19 . 1 1 26 26 TYR HA H 26 6.441 6.441 5.587 0.854 26047 8853 1 19 . 1 1 26 26 TYR C C 26 173.864 173.864 174.861 -0.997 26047 8854 1 19 . 1 1 26 26 TYR CA C 26 55.934 55.934 55.042 0.892 26047 8855 1 19 . 1 1 26 26 TYR CB C 26 44.380 44.380 40.906 3.474 26047 8856 1 19 . 1 1 26 26 TYR H H 26 9.937 9.937 8.547 1.390 26047 8857 1 19 . 1 1 27 27 THR N N 27 117.098 117.098 115.822 1.276 26047 8858 1 19 . 1 1 27 27 THR HA H 27 4.482 4.482 4.670 -0.188 26047 8859 1 19 . 1 1 27 27 THR C C 27 172.648 172.648 173.511 -0.863 26047 8860 1 19 . 1 1 27 27 THR CA C 27 63.163 63.163 61.923 1.240 26047 8861 1 19 . 1 1 27 27 THR CB C 27 72.324 72.324 70.790 1.534 26047 8862 1 19 . 1 1 27 27 THR H H 27 8.716 8.716 8.652 0.064 26047 8863 1 19 . 1 1 28 28 GLY N N 28 115.590 115.590 113.471 2.119 26047 8864 1 19 . 1 1 28 28 GLY C C 28 171.083 171.083 171.299 -0.216 26047 8865 1 19 . 1 1 28 28 GLY CA C 28 45.419 45.419 43.309 2.110 26047 8866 1 19 . 1 1 28 28 GLY H H 28 9.316 9.316 9.268 0.048 26047 8867 1 19 . 1 1 29 29 MET N N 29 125.723 125.723 124.467 1.256 26047 8868 1 19 . 1 1 29 29 MET HA H 29 5.251 5.251 4.609 0.642 26047 8869 1 19 . 1 1 29 29 MET C C 29 175.508 175.508 175.594 -0.086 26047 8870 1 19 . 1 1 29 29 MET CA C 29 54.221 54.221 54.151 0.070 26047 8871 1 19 . 1 1 29 29 MET CB C 29 37.913 37.913 36.621 1.292 26047 8872 1 19 . 1 1 29 29 MET H H 29 9.192 9.192 8.812 0.380 26047 8873 1 19 . 1 1 30 30 LEU N N 30 119.150 119.150 123.740 -4.590 26047 8874 1 19 . 1 1 30 30 LEU HA H 30 4.772 4.772 4.237 0.535 26047 8875 1 19 . 1 1 30 30 LEU C C 30 179.278 179.278 178.721 0.557 26047 8876 1 19 . 1 1 30 30 LEU CA C 30 54.169 54.169 55.960 -1.791 26047 8877 1 19 . 1 1 30 30 LEU CB C 30 41.634 41.634 42.618 -0.984 26047 8878 1 19 . 1 1 30 30 LEU H H 30 8.433 8.433 8.831 -0.398 26047 8879 1 19 . 1 1 31 31 GLU N N 31 120.636 120.636 121.091 -0.455 26047 8880 1 19 . 1 1 31 31 GLU HA H 31 3.816 3.816 4.006 -0.190 26047 8881 1 19 . 1 1 31 31 GLU C C 31 176.568 176.568 177.391 -0.823 26047 8882 1 19 . 1 1 31 31 GLU CA C 31 59.788 59.788 59.215 0.573 26047 8883 1 19 . 1 1 31 31 GLU CB C 31 29.883 29.883 29.697 0.186 26047 8884 1 19 . 1 1 31 31 GLU H H 31 9.110 9.110 9.021 0.089 26047 8885 1 19 . 1 1 32 32 ASP N N 32 115.429 115.429 115.254 0.175 26047 8886 1 19 . 1 1 32 32 ASP HA H 32 4.420 4.420 4.700 -0.280 26047 8887 1 19 . 1 1 32 32 ASP C C 32 177.209 177.209 176.271 0.938 26047 8888 1 19 . 1 1 32 32 ASP CA C 32 53.556 53.556 54.425 -0.869 26047 8889 1 19 . 1 1 32 32 ASP CB C 32 40.030 40.030 41.539 -1.509 26047 8890 1 19 . 1 1 32 32 ASP H H 32 7.826 7.826 8.293 -0.467 26047 8891 1 19 . 1 1 37 37 ASP N N 37 118.871 118.871 122.066 -3.195 26047 8892 1 19 . 1 1 37 37 ASP HA H 37 4.827 4.827 5.003 -0.176 26047 8893 1 19 . 1 1 37 37 ASP C C 37 174.807 174.807 173.965 0.842 26047 8894 1 19 . 1 1 37 37 ASP CA C 37 54.739 54.739 54.833 -0.094 26047 8895 1 19 . 1 1 37 37 ASP CB C 37 44.386 44.386 45.675 -1.289 26047 8896 1 19 . 1 1 37 37 ASP H H 37 6.765 6.765 7.727 -0.962 26047 8897 1 19 . 1 1 38 38 SER N N 38 118.532 118.532 119.528 -0.996 26047 8898 1 19 . 1 1 38 38 SER HA H 38 4.581 4.581 4.790 -0.208 26047 8899 1 19 . 1 1 38 38 SER C C 38 174.967 174.967 174.290 0.677 26047 8900 1 19 . 1 1 38 38 SER CA C 38 57.033 57.033 57.165 -0.132 26047 8901 1 19 . 1 1 38 38 SER CB C 38 64.862 64.862 65.204 -0.342 26047 8902 1 19 . 1 1 38 38 SER H H 38 8.196 8.196 8.535 -0.339 26047 8903 1 19 . 1 1 39 39 SER N N 39 124.920 124.920 121.100 3.820 26047 8904 1 19 . 1 1 39 39 SER HA H 39 4.131 4.131 4.295 -0.164 26047 8905 1 19 . 1 1 39 39 SER C C 39 177.101 177.101 176.150 0.951 26047 8906 1 19 . 1 1 39 39 SER CA C 39 61.690 61.690 60.461 1.229 26047 8907 1 19 . 1 1 39 39 SER CB C 39 61.632 61.632 62.648 -1.016 26047 8908 1 19 . 1 1 39 39 SER H H 39 7.872 7.872 7.879 -0.007 26047 8909 1 19 . 1 1 40 40 ARG N N 40 124.309 124.309 120.404 3.905 26047 8910 1 19 . 1 1 40 40 ARG HA H 40 3.607 3.607 4.339 -0.732 26047 8911 1 19 . 1 1 40 40 ARG C C 40 179.844 179.844 178.464 1.380 26047 8912 1 19 . 1 1 40 40 ARG CA C 40 58.859 58.859 58.197 0.662 26047 8913 1 19 . 1 1 40 40 ARG CB C 40 28.763 28.763 29.548 -0.785 26047 8914 1 19 . 1 1 40 40 ARG H H 40 7.617 7.617 7.878 -0.261 26047 8915 1 19 . 1 1 41 41 ASP N N 41 118.394 118.394 120.688 -2.294 26047 8916 1 19 . 1 1 41 41 ASP HA H 41 4.314 4.314 4.455 -0.141 26047 8917 1 19 . 1 1 41 41 ASP C C 41 176.750 176.750 177.228 -0.478 26047 8918 1 19 . 1 1 41 41 ASP CA C 41 56.536 56.536 56.923 -0.387 26047 8919 1 19 . 1 1 41 41 ASP CB C 41 40.095 40.095 40.296 -0.201 26047 8920 1 19 . 1 1 41 41 ASP H H 41 7.079 7.079 8.582 -1.503 26047 8921 1 19 . 1 1 42 42 ARG N N 42 115.037 115.037 116.974 -1.937 26047 8922 1 19 . 1 1 42 42 ARG HA H 42 4.431 4.431 4.397 0.034 26047 8923 1 19 . 1 1 42 42 ARG C C 42 175.430 175.430 175.656 -0.226 26047 8924 1 19 . 1 1 42 42 ARG CA C 42 56.099 56.099 55.858 0.241 26047 8925 1 19 . 1 1 42 42 ARG CB C 42 31.577 31.577 30.407 1.170 26047 8926 1 19 . 1 1 42 42 ARG H H 42 6.859 6.859 7.894 -1.035 26047 8927 1 19 . 1 1 49 49 MET N N 49 123.105 123.105 121.167 1.938 26047 8928 1 19 . 1 1 49 49 MET HA H 49 4.681 4.681 4.989 -0.308 26047 8929 1 19 . 1 1 49 49 MET C C 49 176.492 176.492 174.784 1.708 26047 8930 1 19 . 1 1 49 49 MET CA C 49 54.487 54.487 54.486 0.001 26047 8931 1 19 . 1 1 49 49 MET CB C 49 33.755 33.755 35.225 -1.470 26047 8932 1 19 . 1 1 49 49 MET H H 49 9.261 9.261 8.653 0.608 26047 8933 1 19 . 1 1 50 50 LEU N N 50 131.689 131.689 125.434 6.255 26047 8934 1 19 . 1 1 50 50 LEU HA H 50 4.210 4.210 4.761 -0.551 26047 8935 1 19 . 1 1 50 50 LEU C C 50 177.825 177.825 177.988 -0.163 26047 8936 1 19 . 1 1 50 50 LEU CA C 50 57.249 57.249 54.316 2.933 26047 8937 1 19 . 1 1 50 50 LEU CB C 50 41.752 41.752 41.328 0.424 26047 8938 1 19 . 1 1 50 50 LEU H H 50 8.633 8.633 7.815 0.818 26047 8939 1 19 . 1 1 54 54 GLU N N 54 117.417 117.417 119.197 -1.780 26047 8940 1 19 . 1 1 54 54 GLU HA H 54 4.220 4.220 4.246 -0.026 26047 8941 1 19 . 1 1 54 54 GLU C C 54 176.221 176.221 176.209 0.012 26047 8942 1 19 . 1 1 54 54 GLU CA C 54 57.447 57.447 57.915 -0.468 26047 8943 1 19 . 1 1 54 54 GLU CB C 54 31.200 31.200 30.521 0.679 26047 8944 1 19 . 1 1 54 54 GLU H H 54 9.389 9.389 8.824 0.565 26047 8945 1 19 . 1 1 55 55 VAL N N 55 108.426 108.426 113.330 -4.904 26047 8946 1 19 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.254 0.060 26047 8947 1 19 . 1 1 55 55 VAL C C 55 175.226 175.226 174.883 0.343 26047 8948 1 19 . 1 1 55 55 VAL CA C 55 57.461 57.461 59.626 -2.165 26047 8949 1 19 . 1 1 55 55 VAL CB C 55 35.557 35.557 33.743 1.813 26047 8950 1 19 . 1 1 55 55 VAL H H 55 6.820 6.820 7.311 -0.491 26047 8951 1 19 . 1 1 56 56 ILE N N 56 111.618 111.618 113.740 -2.122 26047 8952 1 19 . 1 1 56 56 ILE HA H 56 3.853 3.853 4.111 -0.258 26047 8953 1 19 . 1 1 56 56 ILE C C 56 177.344 177.344 176.153 1.191 26047 8954 1 19 . 1 1 56 56 ILE CA C 56 61.975 61.975 60.298 1.677 26047 8955 1 19 . 1 1 56 56 ILE CB C 56 38.342 38.342 38.324 0.018 26047 8956 1 19 . 1 1 56 56 ILE H H 56 7.404 7.404 7.446 -0.042 26047 8957 1 19 . 1 1 57 57 ARG N N 57 124.436 124.436 123.734 0.702 26047 8958 1 19 . 1 1 57 57 ARG HA H 57 4.063 4.063 4.007 0.056 26047 8959 1 19 . 1 1 57 57 ARG C C 57 179.428 179.428 178.542 0.886 26047 8960 1 19 . 1 1 57 57 ARG CA C 57 59.838 59.838 59.689 0.149 26047 8961 1 19 . 1 1 57 57 ARG CB C 57 30.630 30.630 30.168 0.462 26047 8962 1 19 . 1 1 57 57 ARG H H 57 8.631 8.631 8.480 0.151 26047 8963 1 19 . 1 1 58 58 GLY N N 58 107.151 107.151 105.055 2.096 26047 8964 1 19 . 1 1 58 58 GLY C C 58 175.210 175.210 175.470 -0.260 26047 8965 1 19 . 1 1 58 58 GLY CA C 58 47.621 47.621 46.689 0.932 26047 8966 1 19 . 1 1 58 58 GLY H H 58 9.688 9.688 7.970 1.718 26047 8967 1 19 . 1 1 59 59 TRP N N 59 119.956 119.956 121.424 -1.468 26047 8968 1 19 . 1 1 59 59 TRP HA H 59 4.227 4.227 4.523 -0.296 26047 8969 1 19 . 1 1 59 59 TRP C C 59 177.529 177.529 178.617 -1.088 26047 8970 1 19 . 1 1 59 59 TRP CA C 59 59.681 59.681 58.543 1.138 26047 8971 1 19 . 1 1 59 59 TRP CB C 59 29.092 29.092 29.363 -0.271 26047 8972 1 19 . 1 1 59 59 TRP H H 59 7.534 7.534 7.498 0.036 26047 8973 1 19 . 1 1 60 60 GLU N N 60 118.374 118.374 119.061 -0.687 26047 8974 1 19 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.219 -0.329 26047 8975 1 19 . 1 1 60 60 GLU C C 60 178.377 178.377 179.297 -0.920 26047 8976 1 19 . 1 1 60 60 GLU CA C 60 61.081 61.081 59.964 1.117 26047 8977 1 19 . 1 1 60 60 GLU CB C 60 29.417 29.417 29.488 -0.071 26047 8978 1 19 . 1 1 60 60 GLU H H 60 7.275 7.275 7.959 -0.684 26047 8979 1 19 . 1 1 61 61 GLU N N 61 113.896 113.896 117.299 -3.403 26047 8980 1 19 . 1 1 61 61 GLU HA H 61 4.149 4.149 4.371 -0.222 26047 8981 1 19 . 1 1 61 61 GLU C C 61 179.320 179.320 178.250 1.070 26047 8982 1 19 . 1 1 61 61 GLU CA C 61 58.633 58.633 58.149 0.484 26047 8983 1 19 . 1 1 61 61 GLU CB C 61 29.872 29.872 29.743 0.129 26047 8984 1 19 . 1 1 61 61 GLU H H 61 8.390 8.390 8.142 0.248 26047 8985 1 19 . 1 1 62 62 GLY N N 62 106.899 106.899 108.193 -1.294 26047 8986 1 19 . 1 1 62 62 GLY C C 62 174.585 174.585 176.372 -1.787 26047 8987 1 19 . 1 1 62 62 GLY CA C 62 47.194 47.194 46.156 1.038 26047 8988 1 19 . 1 1 62 62 GLY H H 62 7.932 7.932 7.730 0.202 26047 8989 1 19 . 1 1 63 63 VAL N N 63 120.730 120.730 122.467 -1.737 26047 8990 1 19 . 1 1 63 63 VAL HA H 63 3.927 3.927 3.872 0.055 26047 8991 1 19 . 1 1 63 63 VAL C C 63 177.334 177.334 177.386 -0.052 26047 8992 1 19 . 1 1 63 63 VAL CA C 63 65.419 65.419 65.291 0.128 26047 8993 1 19 . 1 1 63 63 VAL CB C 63 31.126 31.126 31.616 -0.491 26047 8994 1 19 . 1 1 63 63 VAL H H 63 8.688 8.688 8.612 0.076 26047 8995 1 19 . 1 1 64 64 ALA N N 64 117.132 117.132 120.381 -3.249 26047 8996 1 19 . 1 1 64 64 ALA HA H 64 4.014 4.014 4.313 -0.299 26047 8997 1 19 . 1 1 64 64 ALA C C 64 177.759 177.759 178.134 -0.375 26047 8998 1 19 . 1 1 64 64 ALA CA C 64 54.526 54.526 53.770 0.756 26047 8999 1 19 . 1 1 64 64 ALA CB C 64 18.715 18.715 18.638 0.077 26047 9000 1 19 . 1 1 64 64 ALA H H 64 7.160 7.160 8.187 -1.027 26047 9001 1 19 . 1 1 65 65 GLN N N 65 112.231 112.231 116.273 -4.042 26047 9002 1 19 . 1 1 65 65 GLN HA H 65 4.359 4.359 4.368 -0.009 26047 9003 1 19 . 1 1 65 65 GLN C C 65 175.568 175.568 175.909 -0.341 26047 9004 1 19 . 1 1 65 65 GLN CA C 65 55.459 55.459 56.044 -0.585 26047 9005 1 19 . 1 1 65 65 GLN CB C 65 30.028 30.028 29.553 0.475 26047 9006 1 19 . 1 1 65 65 GLN H H 65 7.143 7.143 7.868 -0.725 26047 9007 1 19 . 1 1 66 66 MET N N 66 122.412 122.412 118.005 4.407 26047 9008 1 19 . 1 1 66 66 MET HA H 66 4.788 4.788 4.827 -0.039 26047 9009 1 19 . 1 1 66 66 MET C C 66 172.467 172.467 175.177 -2.710 26047 9010 1 19 . 1 1 66 66 MET CA C 66 55.118 55.118 54.449 0.669 26047 9011 1 19 . 1 1 66 66 MET CB C 66 35.667 35.667 34.868 0.799 26047 9012 1 19 . 1 1 66 66 MET H H 66 7.965 7.965 7.474 0.491 26047 9013 1 19 . 1 1 67 67 SER N N 67 107.611 107.611 114.087 -6.476 26047 9014 1 19 . 1 1 67 67 SER HA H 67 4.833 4.833 4.420 0.413 26047 9015 1 19 . 1 1 67 67 SER C C 67 176.275 176.275 174.512 1.763 26047 9016 1 19 . 1 1 67 67 SER CA C 67 54.465 54.465 55.824 -1.359 26047 9017 1 19 . 1 1 67 67 SER CB C 67 65.982 65.982 65.017 0.965 26047 9018 1 19 . 1 1 67 67 SER H H 67 8.182 8.182 8.178 0.004 26047 9019 1 19 . 1 1 68 68 VAL N N 68 119.266 119.266 120.880 -1.614 26047 9020 1 19 . 1 1 68 68 VAL HA H 68 3.105 3.105 3.583 -0.478 26047 9021 1 19 . 1 1 68 68 VAL C C 68 176.390 176.390 176.753 -0.363 26047 9022 1 19 . 1 1 68 68 VAL CA C 68 67.074 67.074 64.969 2.105 26047 9023 1 19 . 1 1 68 68 VAL CB C 68 31.503 31.503 30.089 1.414 26047 9024 1 19 . 1 1 68 68 VAL H H 68 7.650 7.650 8.215 -0.565 26047 9025 1 19 . 1 1 69 69 GLY N N 69 116.900 116.900 114.725 2.175 26047 9026 1 19 . 1 1 69 69 GLY C C 69 173.934 173.934 173.760 0.174 26047 9027 1 19 . 1 1 69 69 GLY CA C 69 44.407 44.407 45.022 -0.615 26047 9028 1 19 . 1 1 69 69 GLY H H 69 8.855 8.855 8.740 0.115 26047 9029 1 19 . 1 1 70 70 GLN N N 70 123.210 123.210 120.602 2.608 26047 9030 1 19 . 1 1 70 70 GLN HA H 70 4.035 4.035 4.767 -0.732 26047 9031 1 19 . 1 1 70 70 GLN C C 70 173.663 173.663 174.435 -0.772 26047 9032 1 19 . 1 1 70 70 GLN CA C 70 55.788 55.788 54.742 1.046 26047 9033 1 19 . 1 1 70 70 GLN CB C 70 30.551 30.551 31.449 -0.898 26047 9034 1 19 . 1 1 70 70 GLN H H 70 8.607 8.607 7.916 0.691 26047 9035 1 19 . 1 1 71 71 ARG N N 71 124.586 124.586 126.206 -1.620 26047 9036 1 19 . 1 1 71 71 ARG HA H 71 5.660 5.660 4.845 0.815 26047 9037 1 19 . 1 1 71 71 ARG C C 71 175.582 175.582 173.994 1.588 26047 9038 1 19 . 1 1 71 71 ARG CA C 71 53.936 53.936 54.701 -0.765 26047 9039 1 19 . 1 1 71 71 ARG CB C 71 33.739 33.739 32.537 1.202 26047 9040 1 19 . 1 1 71 71 ARG H H 71 8.802 8.802 8.656 0.146 26047 9041 1 19 . 1 1 75 75 THR N N 75 121.856 121.856 121.182 0.674 26047 9042 1 19 . 1 1 75 75 THR HA H 75 5.052 5.052 4.759 0.293 26047 9043 1 19 . 1 1 75 75 THR C C 75 175.079 175.079 173.546 1.533 26047 9044 1 19 . 1 1 75 75 THR CA C 75 63.355 63.355 62.507 0.848 26047 9045 1 19 . 1 1 75 75 THR CB C 75 68.790 68.790 69.188 -0.397 26047 9046 1 19 . 1 1 75 75 THR H H 75 8.884 8.884 8.778 0.106 26047 9047 1 19 . 1 1 76 76 ILE N N 76 129.859 129.859 128.285 1.574 26047 9048 1 19 . 1 1 76 76 ILE HA H 76 4.680 4.680 4.724 -0.044 26047 9049 1 19 . 1 1 76 76 ILE C C 76 173.943 173.943 175.676 -1.733 26047 9050 1 19 . 1 1 76 76 ILE CA C 76 60.898 60.898 58.483 2.416 26047 9051 1 19 . 1 1 76 76 ILE CB C 76 41.236 41.236 39.272 1.964 26047 9052 1 19 . 1 1 76 76 ILE H H 76 9.864 9.864 8.908 0.956 26047 9053 1 19 . 1 1 77 77 SER N N 77 123.243 123.243 119.891 3.352 26047 9054 1 19 . 1 1 77 77 SER HA H 77 4.732 4.732 5.145 -0.413 26047 9055 1 19 . 1 1 77 77 SER C C 77 173.647 173.647 174.124 -0.477 26047 9056 1 19 . 1 1 77 77 SER CA C 77 57.726 57.726 55.285 2.441 26047 9057 1 19 . 1 1 77 77 SER CB C 77 62.763 62.763 63.552 -0.789 26047 9058 1 19 . 1 1 77 77 SER H H 77 8.612 8.612 8.371 0.241 26047 9059 1 19 . 1 1 78 78 PRO HA H 78 4.488 4.488 4.363 0.125 26047 9060 1 19 . 1 1 78 78 PRO C C 78 180.133 180.133 176.996 3.137 26047 9061 1 19 . 1 1 78 78 PRO CA C 78 65.828 65.828 65.060 0.768 26047 9062 1 19 . 1 1 78 78 PRO CB C 78 30.995 30.995 32.028 -1.032 26047 9063 1 19 . 1 1 79 79 ASP N N 79 115.934 115.934 115.823 0.111 26047 9064 1 19 . 1 1 79 79 ASP HA H 79 4.390 4.390 4.576 -0.186 26047 9065 1 19 . 1 1 79 79 ASP C C 79 176.810 176.810 177.352 -0.542 26047 9066 1 19 . 1 1 79 79 ASP CA C 79 56.159 56.159 56.511 -0.352 26047 9067 1 19 . 1 1 79 79 ASP CB C 79 39.361 39.361 41.128 -1.767 26047 9068 1 19 . 1 1 79 79 ASP H H 79 8.799 8.799 8.724 0.075 26047 9069 1 19 . 1 1 80 80 TYR N N 80 120.969 120.969 118.755 2.214 26047 9070 1 19 . 1 1 80 80 TYR HA H 80 4.377 4.377 4.508 -0.131 26047 9071 1 19 . 1 1 80 80 TYR C C 80 173.332 173.332 175.874 -2.542 26047 9072 1 19 . 1 1 80 80 TYR CA C 80 57.597 57.597 59.355 -1.758 26047 9073 1 19 . 1 1 80 80 TYR CB C 80 38.903 38.903 40.132 -1.229 26047 9074 1 19 . 1 1 80 80 TYR H H 80 8.116 8.116 7.766 0.350 26047 9075 1 19 . 1 1 81 81 ALA N N 81 125.669 125.669 122.763 2.906 26047 9076 1 19 . 1 1 81 81 ALA HA H 81 4.421 4.421 3.990 0.431 26047 9077 1 19 . 1 1 81 81 ALA C C 81 175.888 175.888 177.241 -1.353 26047 9078 1 19 . 1 1 81 81 ALA CA C 81 51.701 51.701 54.512 -2.811 26047 9079 1 19 . 1 1 81 81 ALA CB C 81 19.334 19.334 19.119 0.215 26047 9080 1 19 . 1 1 81 81 ALA H H 81 7.801 7.801 8.386 -0.585 26047 9081 1 19 . 1 1 82 82 TYR N N 82 122.080 122.080 114.789 7.291 26047 9082 1 19 . 1 1 82 82 TYR HA H 82 4.566 4.566 4.589 -0.023 26047 9083 1 19 . 1 1 82 82 TYR C C 82 176.653 176.653 176.480 0.173 26047 9084 1 19 . 1 1 82 82 TYR CA C 82 58.865 58.865 58.473 0.392 26047 9085 1 19 . 1 1 82 82 TYR CB C 82 37.995 37.995 41.754 -3.759 26047 9086 1 19 . 1 1 82 82 TYR H H 82 9.321 9.321 7.607 1.714 26047 9087 1 19 . 1 1 83 83 GLY N N 83 108.394 108.394 106.639 1.755 26047 9088 1 19 . 1 1 83 83 GLY C C 83 175.214 175.214 172.797 2.417 26047 9089 1 19 . 1 1 83 83 GLY CA C 83 46.827 46.827 45.338 1.489 26047 9090 1 19 . 1 1 83 83 GLY H H 83 8.535 8.535 7.924 0.611 26047 9091 1 19 . 1 1 84 84 ALA HA H 84 3.273 3.273 4.248 -0.975 26047 9092 1 19 . 1 1 84 84 ALA C C 84 177.536 177.536 177.760 -0.224 26047 9093 1 19 . 1 1 84 84 ALA CA C 84 53.514 53.514 53.742 -0.228 26047 9094 1 19 . 1 1 84 84 ALA CB C 84 19.318 19.318 19.131 0.187 26047 9095 1 19 . 1 1 85 85 THR N N 85 109.341 109.341 113.347 -4.006 26047 9096 1 19 . 1 1 85 85 THR HA H 85 4.038 4.038 4.215 -0.177 26047 9097 1 19 . 1 1 85 85 THR C C 85 177.149 177.149 175.247 1.902 26047 9098 1 19 . 1 1 85 85 THR CA C 85 64.040 64.040 62.247 1.793 26047 9099 1 19 . 1 1 85 85 THR CB C 85 69.466 69.466 69.535 -0.069 26047 9100 1 19 . 1 1 85 85 THR H H 85 7.927 7.927 7.913 0.014 26047 9101 1 19 . 1 1 86 86 GLY N N 86 106.961 106.961 108.857 -1.896 26047 9102 1 19 . 1 1 86 86 GLY C C 86 171.567 171.567 173.043 -1.476 26047 9103 1 19 . 1 1 86 86 GLY CA C 86 45.151 45.151 44.569 0.582 26047 9104 1 19 . 1 1 86 86 GLY H H 86 7.341 7.341 7.656 -0.315 26047 9105 1 19 . 1 1 87 87 HIS N N 87 121.870 121.870 120.534 1.336 26047 9106 1 19 . 1 1 87 87 HIS HA H 87 4.967 4.967 4.661 0.306 26047 9107 1 19 . 1 1 87 87 HIS C C 87 172.750 172.750 173.635 -0.885 26047 9108 1 19 . 1 1 87 87 HIS CA C 87 53.029 53.029 52.626 0.403 26047 9109 1 19 . 1 1 87 87 HIS CB C 87 32.349 32.349 30.688 1.661 26047 9110 1 19 . 1 1 87 87 HIS H H 87 8.799 8.799 8.046 0.753 26047 9111 1 19 . 1 1 88 88 PRO HA H 88 4.132 4.132 4.299 -0.167 26047 9112 1 19 . 1 1 88 88 PRO C C 88 176.585 176.585 177.399 -0.814 26047 9113 1 19 . 1 1 88 88 PRO CA C 88 65.123 65.123 63.674 1.449 26047 9114 1 19 . 1 1 88 88 PRO CB C 88 31.851 31.851 31.716 0.135 26047 9115 1 19 . 1 1 89 89 GLY N N 89 113.445 113.445 113.340 0.105 26047 9116 1 19 . 1 1 89 89 GLY C C 89 174.030 174.030 174.741 -0.711 26047 9117 1 19 . 1 1 89 89 GLY CA C 89 45.251 45.251 45.135 0.116 26047 9118 1 19 . 1 1 89 89 GLY H H 89 8.571 8.571 8.693 -0.122 26047 9119 1 19 . 1 1 90 90 ILE N N 90 118.128 118.128 121.163 -3.035 26047 9120 1 19 . 1 1 90 90 ILE HA H 90 4.252 4.252 4.211 0.041 26047 9121 1 19 . 1 1 90 90 ILE C C 90 174.403 174.403 175.913 -1.510 26047 9122 1 19 . 1 1 90 90 ILE CA C 90 62.855 62.855 62.567 0.288 26047 9123 1 19 . 1 1 90 90 ILE CB C 90 41.565 41.565 38.967 2.598 26047 9124 1 19 . 1 1 90 90 ILE H H 90 8.103 8.103 7.641 0.462 26047 9125 1 19 . 1 1 91 91 ILE N N 91 119.444 119.444 120.328 -0.884 26047 9126 1 19 . 1 1 91 91 ILE HA H 91 4.506 4.506 4.335 0.171 26047 9127 1 19 . 1 1 91 91 ILE C C 91 174.345 174.345 173.830 0.515 26047 9128 1 19 . 1 1 91 91 ILE CA C 91 56.335 56.335 56.974 -0.639 26047 9129 1 19 . 1 1 91 91 ILE CB C 91 40.719 40.719 36.713 4.006 26047 9130 1 19 . 1 1 91 91 ILE H H 91 8.241 8.241 7.541 0.700 26047 9131 1 19 . 1 1 92 92 PRO HA H 92 4.717 4.717 4.689 0.028 26047 9132 1 19 . 1 1 92 92 PRO CB C 92 31.011 31.011 31.360 -0.349 26047 9133 1 19 . 1 1 93 93 PRO HA H 93 3.617 3.617 4.341 -0.724 26047 9134 1 19 . 1 1 93 93 PRO C C 93 175.714 175.714 176.667 -0.953 26047 9135 1 19 . 1 1 93 93 PRO CA C 93 63.618 63.618 63.221 0.397 26047 9136 1 19 . 1 1 93 93 PRO CB C 93 33.171 33.171 32.435 0.736 26047 9137 1 19 . 1 1 94 94 HIS N N 94 115.851 115.851 115.335 0.516 26047 9138 1 19 . 1 1 94 94 HIS HA H 94 3.804 3.804 4.231 -0.427 26047 9139 1 19 . 1 1 94 94 HIS C C 94 173.821 173.821 173.860 -0.039 26047 9140 1 19 . 1 1 94 94 HIS CA C 94 57.145 57.145 57.149 -0.004 26047 9141 1 19 . 1 1 94 94 HIS CB C 94 27.977 27.977 28.063 -0.086 26047 9142 1 19 . 1 1 94 94 HIS H H 94 7.934 7.934 8.279 -0.345 26047 9143 1 19 . 1 1 95 95 ALA N N 95 122.072 122.072 120.999 1.073 26047 9144 1 19 . 1 1 95 95 ALA HA H 95 4.459 4.459 4.625 -0.166 26047 9145 1 19 . 1 1 95 95 ALA C C 95 177.246 177.246 175.682 1.564 26047 9146 1 19 . 1 1 95 95 ALA CA C 95 52.728 52.728 50.929 1.798 26047 9147 1 19 . 1 1 95 95 ALA CB C 95 20.567 20.567 21.848 -1.281 26047 9148 1 19 . 1 1 95 95 ALA H H 95 7.706 7.706 7.770 -0.064 26047 9149 1 19 . 1 1 96 96 THR N N 96 122.875 122.875 118.866 4.009 26047 9150 1 19 . 1 1 96 96 THR HA H 96 4.650 4.650 4.440 0.210 26047 9151 1 19 . 1 1 96 96 THR C C 96 173.818 173.818 173.702 0.116 26047 9152 1 19 . 1 1 96 96 THR CA C 96 63.778 63.778 63.136 0.642 26047 9153 1 19 . 1 1 96 96 THR CB C 96 69.588 69.588 69.700 -0.112 26047 9154 1 19 . 1 1 96 96 THR H H 96 8.448 8.448 8.213 0.235 26047 9155 1 19 . 1 1 97 97 LEU N N 97 124.809 124.809 125.429 -0.620 26047 9156 1 19 . 1 1 97 97 LEU HA H 97 5.110 5.110 4.659 0.451 26047 9157 1 19 . 1 1 97 97 LEU C C 97 175.041 175.041 175.275 -0.234 26047 9158 1 19 . 1 1 97 97 LEU CA C 97 52.832 52.832 54.017 -1.185 26047 9159 1 19 . 1 1 97 97 LEU CB C 97 46.391 46.391 45.157 1.234 26047 9160 1 19 . 1 1 97 97 LEU H H 97 8.725 8.725 8.967 -0.242 26047 9161 1 19 . 1 1 98 98 VAL N N 98 121.081 121.081 119.189 1.892 26047 9162 1 19 . 1 1 98 98 VAL HA H 98 5.215 5.215 4.528 0.687 26047 9163 1 19 . 1 1 98 98 VAL C C 98 175.150 175.150 174.511 0.639 26047 9164 1 19 . 1 1 98 98 VAL CA C 98 60.662 60.662 61.611 -0.949 26047 9165 1 19 . 1 1 98 98 VAL CB C 98 34.355 34.355 33.798 0.557 26047 9166 1 19 . 1 1 98 98 VAL H H 98 8.692 8.692 8.583 0.109 26047 9167 1 19 . 1 1 99 99 PHE N N 99 123.638 123.638 125.827 -2.189 26047 9168 1 19 . 1 1 99 99 PHE HA H 99 5.754 5.754 5.719 0.035 26047 9169 1 19 . 1 1 99 99 PHE C C 99 174.328 174.328 174.158 0.170 26047 9170 1 19 . 1 1 99 99 PHE CA C 99 55.196 55.196 56.474 -1.278 26047 9171 1 19 . 1 1 99 99 PHE CB C 99 43.396 43.396 43.835 -0.439 26047 9172 1 19 . 1 1 99 99 PHE H H 99 9.724 9.724 9.304 0.420 26047 9173 1 19 . 1 1 100 100 ASP N N 100 124.358 124.358 124.499 -0.141 26047 9174 1 19 . 1 1 100 100 ASP HA H 100 5.164 5.164 5.077 0.087 26047 9175 1 19 . 1 1 100 100 ASP C C 100 176.946 176.946 175.373 1.573 26047 9176 1 19 . 1 1 100 100 ASP CA C 100 52.778 52.778 53.150 -0.372 26047 9177 1 19 . 1 1 100 100 ASP CB C 100 42.320 42.320 43.152 -0.832 26047 9178 1 19 . 1 1 100 100 ASP H H 100 8.775 8.775 8.647 0.128 26047 9179 1 19 . 1 1 101 101 VAL N N 101 126.428 126.428 119.798 6.630 26047 9180 1 19 . 1 1 101 101 VAL HA H 101 5.057 5.057 5.510 -0.453 26047 9181 1 19 . 1 1 101 101 VAL C C 101 172.620 172.620 174.091 -1.471 26047 9182 1 19 . 1 1 101 101 VAL CA C 101 61.041 61.041 59.237 1.804 26047 9183 1 19 . 1 1 101 101 VAL CB C 101 35.481 35.481 34.292 1.189 26047 9184 1 19 . 1 1 101 101 VAL H H 101 9.513 9.513 7.718 1.795 26047 9185 1 19 . 1 1 102 102 GLU N N 102 128.393 128.393 120.570 7.823 26047 9186 1 19 . 1 1 102 102 GLU HA H 102 5.392 5.392 4.908 0.484 26047 9187 1 19 . 1 1 102 102 GLU C C 102 175.174 175.174 175.055 0.119 26047 9188 1 19 . 1 1 102 102 GLU CA C 102 53.979 53.979 53.749 0.230 26047 9189 1 19 . 1 1 102 102 GLU CB C 102 33.852 33.852 32.718 1.135 26047 9190 1 19 . 1 1 102 102 GLU H H 102 9.285 9.285 8.200 1.085 26047 9191 1 19 . 1 1 103 103 LEU N N 103 128.290 128.290 125.749 2.541 26047 9192 1 19 . 1 1 103 103 LEU HA H 103 4.671 4.671 4.319 0.352 26047 9193 1 19 . 1 1 103 103 LEU C C 103 174.266 174.266 175.865 -1.599 26047 9194 1 19 . 1 1 103 103 LEU CA C 103 54.356 54.356 54.697 -0.341 26047 9195 1 19 . 1 1 103 103 LEU CB C 103 41.465 41.465 40.543 0.922 26047 9196 1 19 . 1 1 103 103 LEU H H 103 8.613 8.613 8.770 -0.157 26047 9197 1 20 . 1 1 -2 -2 PRO HA H -2 4.485 4.485 4.930 -0.445 26047 9198 1 20 . 1 1 -2 -2 PRO C C -2 176.570 176.570 176.432 0.138 26047 9199 1 20 . 1 1 -2 -2 PRO CA C -2 63.243 63.243 62.374 0.869 26047 9200 1 20 . 1 1 -2 -2 PRO CB C -2 32.290 32.290 33.430 -1.140 26047 9201 1 20 . 1 1 -1 -1 SER N N -1 116.659 116.659 114.255 2.404 26047 9202 1 20 . 1 1 -1 -1 SER HA H -1 4.422 4.422 4.608 -0.186 26047 9203 1 20 . 1 1 -1 -1 SER C C -1 174.384 174.384 174.674 -0.290 26047 9204 1 20 . 1 1 -1 -1 SER CA C -1 58.230 58.230 59.532 -1.302 26047 9205 1 20 . 1 1 -1 -1 SER CB C -1 63.838 63.838 63.844 -0.006 26047 9206 1 20 . 1 1 -1 -1 SER H H -1 8.542 8.542 8.322 0.220 26047 9207 1 20 . 1 1 0 0 MET N N 0 122.115 122.115 121.119 0.996 26047 9208 1 20 . 1 1 0 0 MET HA H 0 4.441 4.441 4.805 -0.364 26047 9209 1 20 . 1 1 0 0 MET C C 0 176.182 176.182 175.808 0.374 26047 9210 1 20 . 1 1 0 0 MET CA C 0 55.346 55.346 55.181 0.165 26047 9211 1 20 . 1 1 0 0 MET CB C 0 33.248 33.248 35.002 -1.754 26047 9212 1 20 . 1 1 0 0 MET H H 0 8.356 8.356 7.831 0.525 26047 9213 1 20 . 1 1 1 1 GLY N N 1 110.724 110.724 110.761 -0.037 26047 9214 1 20 . 1 1 1 1 GLY C C 1 172.468 172.468 172.160 0.308 26047 9215 1 20 . 1 1 1 1 GLY CA C 1 45.585 45.585 44.828 0.757 26047 9216 1 20 . 1 1 1 1 GLY H H 1 8.157 8.157 7.951 0.206 26047 9217 1 20 . 1 1 2 2 VAL N N 2 117.765 117.765 118.870 -1.105 26047 9218 1 20 . 1 1 2 2 VAL HA H 2 4.889 4.889 5.245 -0.356 26047 9219 1 20 . 1 1 2 2 VAL C C 2 173.396 173.396 173.963 -0.567 26047 9220 1 20 . 1 1 2 2 VAL CA C 2 59.731 59.731 59.719 0.012 26047 9221 1 20 . 1 1 2 2 VAL CB C 2 34.600 34.600 33.996 0.604 26047 9222 1 20 . 1 1 2 2 VAL H H 2 7.471 7.471 7.267 0.204 26047 9223 1 20 . 1 1 3 3 GLN N N 3 126.962 126.962 128.506 -1.544 26047 9224 1 20 . 1 1 3 3 GLN HA H 3 4.686 4.686 4.690 -0.004 26047 9225 1 20 . 1 1 3 3 GLN C C 3 174.658 174.658 174.741 -0.083 26047 9226 1 20 . 1 1 3 3 GLN CA C 3 54.379 54.379 54.755 -0.376 26047 9227 1 20 . 1 1 3 3 GLN CB C 3 31.669 31.669 31.433 0.236 26047 9228 1 20 . 1 1 3 3 GLN H H 3 8.514 8.514 8.152 0.362 26047 9229 1 20 . 1 1 4 4 VAL N N 4 125.396 125.396 125.321 0.075 26047 9230 1 20 . 1 1 4 4 VAL HA H 4 4.520 4.520 4.298 0.222 26047 9231 1 20 . 1 1 4 4 VAL C C 4 175.411 175.411 175.296 0.115 26047 9232 1 20 . 1 1 4 4 VAL CA C 4 61.993 61.993 61.851 0.142 26047 9233 1 20 . 1 1 4 4 VAL CB C 4 33.355 33.355 33.042 0.313 26047 9234 1 20 . 1 1 4 4 VAL H H 4 8.823 8.823 8.622 0.201 26047 9235 1 20 . 1 1 5 5 GLU N N 5 128.706 128.706 128.590 0.116 26047 9236 1 20 . 1 1 5 5 GLU HA H 5 4.782 4.782 4.635 0.147 26047 9237 1 20 . 1 1 5 5 GLU C C 5 175.830 175.830 175.705 0.125 26047 9238 1 20 . 1 1 5 5 GLU CA C 5 54.451 54.451 54.470 -0.019 26047 9239 1 20 . 1 1 5 5 GLU CB C 5 32.818 32.818 31.216 1.602 26047 9240 1 20 . 1 1 5 5 GLU H H 5 9.024 9.024 8.697 0.327 26047 9241 1 20 . 1 1 6 6 THR N N 6 124.408 124.408 120.435 3.973 26047 9242 1 20 . 1 1 6 6 THR HA H 6 3.898 3.898 4.274 -0.376 26047 9243 1 20 . 1 1 6 6 THR C C 6 173.675 173.675 174.028 -0.353 26047 9244 1 20 . 1 1 6 6 THR CA C 6 66.715 66.715 63.645 3.070 26047 9245 1 20 . 1 1 6 6 THR CB C 6 68.934 68.934 69.195 -0.261 26047 9246 1 20 . 1 1 6 6 THR H H 6 9.173 9.173 8.700 0.473 26047 9247 1 20 . 1 1 7 7 ILE N N 7 129.476 129.476 127.272 2.204 26047 9248 1 20 . 1 1 7 7 ILE HA H 7 4.071 4.071 4.293 -0.222 26047 9249 1 20 . 1 1 7 7 ILE C C 7 175.768 175.768 176.411 -0.643 26047 9250 1 20 . 1 1 7 7 ILE CA C 7 63.285 63.285 61.986 1.299 26047 9251 1 20 . 1 1 7 7 ILE CB C 7 39.659 39.659 39.444 0.215 26047 9252 1 20 . 1 1 7 7 ILE H H 7 9.329 9.329 8.983 0.346 26047 9253 1 20 . 1 1 8 8 SER N N 8 114.774 114.774 115.667 -0.893 26047 9254 1 20 . 1 1 8 8 SER HA H 8 4.987 4.987 4.951 0.036 26047 9255 1 20 . 1 1 8 8 SER C C 8 171.895 171.895 172.332 -0.437 26047 9256 1 20 . 1 1 8 8 SER CA C 8 55.577 55.577 54.741 0.836 26047 9257 1 20 . 1 1 8 8 SER CB C 8 64.384 64.384 64.515 -0.131 26047 9258 1 20 . 1 1 8 8 SER H H 8 8.300 8.300 8.049 0.251 26047 9259 1 20 . 1 1 9 9 PRO HA H 9 4.331 4.331 4.620 -0.289 26047 9260 1 20 . 1 1 9 9 PRO C C 9 177.628 177.628 176.579 1.049 26047 9261 1 20 . 1 1 9 9 PRO CA C 9 63.646 63.646 62.593 1.053 26047 9262 1 20 . 1 1 9 9 PRO CB C 9 32.910 32.910 32.418 0.492 26047 9263 1 20 . 1 1 10 10 GLY N N 10 107.910 107.910 112.393 -4.483 26047 9264 1 20 . 1 1 10 10 GLY C C 10 174.203 174.203 174.118 0.085 26047 9265 1 20 . 1 1 10 10 GLY CA C 10 44.176 44.176 45.055 -0.879 26047 9266 1 20 . 1 1 10 10 GLY H H 10 8.464 8.464 8.124 0.340 26047 9267 1 20 . 1 1 11 11 ASP N N 11 118.911 118.911 121.395 -2.484 26047 9268 1 20 . 1 1 11 11 ASP HA H 11 4.289 4.289 4.550 -0.261 26047 9269 1 20 . 1 1 11 11 ASP C C 11 178.317 178.317 177.354 0.963 26047 9270 1 20 . 1 1 11 11 ASP CA C 11 54.629 54.629 55.270 -0.641 26047 9271 1 20 . 1 1 11 11 ASP CB C 11 39.382 39.382 42.100 -2.719 26047 9272 1 20 . 1 1 11 11 ASP H H 11 8.049 8.049 8.052 -0.003 26047 9273 1 20 . 1 1 12 12 GLY N N 12 108.262 108.262 107.414 0.848 26047 9274 1 20 . 1 1 12 12 GLY C C 12 173.279 173.279 174.401 -1.122 26047 9275 1 20 . 1 1 12 12 GLY CA C 12 46.049 46.049 45.890 0.159 26047 9276 1 20 . 1 1 12 12 GLY H H 12 8.719 8.719 8.118 0.601 26047 9277 1 20 . 1 1 13 13 ARG N N 13 117.671 117.671 116.933 0.738 26047 9278 1 20 . 1 1 13 13 ARG HA H 13 4.709 4.709 4.660 0.049 26047 9279 1 20 . 1 1 13 13 ARG C C 13 175.038 175.038 174.853 0.185 26047 9280 1 20 . 1 1 13 13 ARG CA C 13 56.794 56.794 55.733 1.060 26047 9281 1 20 . 1 1 13 13 ARG CB C 13 34.416 34.416 31.579 2.837 26047 9282 1 20 . 1 1 13 13 ARG H H 13 8.539 8.539 8.023 0.516 26047 9283 1 20 . 1 1 14 14 THR N N 14 125.323 125.323 118.191 7.132 26047 9284 1 20 . 1 1 14 14 THR HA H 14 4.205 4.205 4.619 -0.414 26047 9285 1 20 . 1 1 14 14 THR C C 14 172.353 172.353 172.842 -0.489 26047 9286 1 20 . 1 1 14 14 THR CA C 14 62.060 62.060 61.838 0.222 26047 9287 1 20 . 1 1 14 14 THR CB C 14 66.395 66.395 68.902 -2.507 26047 9288 1 20 . 1 1 14 14 THR H H 14 10.197 10.197 7.597 2.600 26047 9289 1 20 . 1 1 15 15 PHE N N 15 124.865 124.865 126.248 -1.383 26047 9290 1 20 . 1 1 15 15 PHE HA H 15 5.232 5.232 5.212 0.020 26047 9291 1 20 . 1 1 15 15 PHE C C 15 174.388 174.388 174.743 -0.355 26047 9292 1 20 . 1 1 15 15 PHE CA C 15 54.495 54.495 55.240 -0.746 26047 9293 1 20 . 1 1 15 15 PHE CB C 15 39.883 39.883 39.716 0.167 26047 9294 1 20 . 1 1 15 15 PHE H H 15 8.086 8.086 8.623 -0.537 26047 9295 1 20 . 1 1 19 19 GLY N N 19 112.901 112.901 112.372 0.529 26047 9296 1 20 . 1 1 19 19 GLY C C 19 174.204 174.204 173.057 1.147 26047 9297 1 20 . 1 1 19 19 GLY CA C 19 44.943 44.943 45.046 -0.103 26047 9298 1 20 . 1 1 19 19 GLY H H 19 8.682 8.682 8.478 0.204 26047 9299 1 20 . 1 1 20 20 GLN N N 20 118.698 118.698 119.808 -1.110 26047 9300 1 20 . 1 1 20 20 GLN HA H 20 4.497 4.497 4.568 -0.071 26047 9301 1 20 . 1 1 20 20 GLN C C 20 174.974 174.974 175.045 -0.071 26047 9302 1 20 . 1 1 20 20 GLN CA C 20 56.335 56.335 54.614 1.721 26047 9303 1 20 . 1 1 20 20 GLN CB C 20 30.891 30.891 29.548 1.343 26047 9304 1 20 . 1 1 20 20 GLN H H 20 8.103 8.103 7.979 0.124 26047 9305 1 20 . 1 1 21 21 THR N N 21 119.715 119.715 115.894 3.821 26047 9306 1 20 . 1 1 21 21 THR HA H 21 4.457 4.457 4.671 -0.214 26047 9307 1 20 . 1 1 21 21 THR C C 21 173.797 173.797 174.264 -0.467 26047 9308 1 20 . 1 1 21 21 THR CA C 21 63.067 63.067 61.930 1.137 26047 9309 1 20 . 1 1 21 21 THR CB C 21 68.825 68.825 69.499 -0.674 26047 9310 1 20 . 1 1 21 21 THR H H 21 8.729 8.729 8.406 0.323 26047 9311 1 20 . 1 1 22 22 CYS N N 22 126.008 126.008 124.179 1.829 26047 9312 1 20 . 1 1 22 22 CYS HA H 22 4.269 4.269 4.675 -0.406 26047 9313 1 20 . 1 1 22 22 CYS C C 22 172.458 172.458 173.376 -0.918 26047 9314 1 20 . 1 1 22 22 CYS CA C 22 58.011 58.011 56.983 1.028 26047 9315 1 20 . 1 1 22 22 CYS CB C 22 28.794 28.794 28.622 0.172 26047 9316 1 20 . 1 1 22 22 CYS H H 22 8.826 8.826 8.428 0.398 26047 9317 1 20 . 1 1 23 23 VAL N N 23 123.456 123.456 130.517 -7.061 26047 9318 1 20 . 1 1 23 23 VAL HA H 23 4.595 4.595 4.333 0.262 26047 9319 1 20 . 1 1 23 23 VAL C C 23 175.899 175.899 174.663 1.236 26047 9320 1 20 . 1 1 23 23 VAL CA C 23 61.411 61.411 62.565 -1.154 26047 9321 1 20 . 1 1 23 23 VAL CB C 23 31.277 31.277 31.503 -0.227 26047 9322 1 20 . 1 1 23 23 VAL H H 23 8.063 8.063 8.757 -0.694 26047 9323 1 20 . 1 1 24 24 VAL N N 24 118.126 118.126 121.233 -3.107 26047 9324 1 20 . 1 1 24 24 VAL HA H 24 5.852 5.852 4.980 0.872 26047 9325 1 20 . 1 1 24 24 VAL C C 24 175.589 175.589 174.247 1.342 26047 9326 1 20 . 1 1 24 24 VAL CA C 24 57.962 57.962 59.320 -1.358 26047 9327 1 20 . 1 1 24 24 VAL CB C 24 35.885 35.885 35.615 0.270 26047 9328 1 20 . 1 1 24 24 VAL H H 24 9.620 9.620 8.743 0.877 26047 9329 1 20 . 1 1 25 25 HIS N N 25 118.824 118.824 123.157 -4.333 26047 9330 1 20 . 1 1 25 25 HIS HA H 25 5.865 5.865 5.015 0.850 26047 9331 1 20 . 1 1 25 25 HIS C C 25 176.663 176.663 174.272 2.391 26047 9332 1 20 . 1 1 25 25 HIS CA C 25 54.463 54.463 55.366 -0.903 26047 9333 1 20 . 1 1 25 25 HIS CB C 25 35.454 35.454 31.950 3.504 26047 9334 1 20 . 1 1 25 25 HIS H H 25 8.579 8.579 8.335 0.244 26047 9335 1 20 . 1 1 26 26 TYR N N 26 118.524 118.524 122.966 -4.442 26047 9336 1 20 . 1 1 26 26 TYR HA H 26 6.441 6.441 5.531 0.910 26047 9337 1 20 . 1 1 26 26 TYR C C 26 173.864 173.864 174.852 -0.988 26047 9338 1 20 . 1 1 26 26 TYR CA C 26 55.934 55.934 55.063 0.871 26047 9339 1 20 . 1 1 26 26 TYR CB C 26 44.380 44.380 40.884 3.496 26047 9340 1 20 . 1 1 26 26 TYR H H 26 9.937 9.937 8.536 1.401 26047 9341 1 20 . 1 1 27 27 THR N N 27 117.098 117.098 115.806 1.292 26047 9342 1 20 . 1 1 27 27 THR HA H 27 4.482 4.482 4.674 -0.192 26047 9343 1 20 . 1 1 27 27 THR C C 27 172.648 172.648 173.487 -0.839 26047 9344 1 20 . 1 1 27 27 THR CA C 27 63.163 63.163 61.920 1.243 26047 9345 1 20 . 1 1 27 27 THR CB C 27 72.324 72.324 70.842 1.482 26047 9346 1 20 . 1 1 27 27 THR H H 27 8.716 8.716 8.651 0.065 26047 9347 1 20 . 1 1 28 28 GLY N N 28 115.590 115.590 113.401 2.189 26047 9348 1 20 . 1 1 28 28 GLY C C 28 171.083 171.083 171.283 -0.200 26047 9349 1 20 . 1 1 28 28 GLY CA C 28 45.419 45.419 43.257 2.162 26047 9350 1 20 . 1 1 28 28 GLY H H 28 9.316 9.316 9.246 0.070 26047 9351 1 20 . 1 1 29 29 MET N N 29 125.723 125.723 124.512 1.211 26047 9352 1 20 . 1 1 29 29 MET HA H 29 5.251 5.251 4.648 0.603 26047 9353 1 20 . 1 1 29 29 MET C C 29 175.508 175.508 175.609 -0.101 26047 9354 1 20 . 1 1 29 29 MET CA C 29 54.221 54.221 54.166 0.056 26047 9355 1 20 . 1 1 29 29 MET CB C 29 37.913 37.913 36.595 1.318 26047 9356 1 20 . 1 1 29 29 MET H H 29 9.192 9.192 8.838 0.354 26047 9357 1 20 . 1 1 30 30 LEU N N 30 119.150 119.150 123.789 -4.639 26047 9358 1 20 . 1 1 30 30 LEU HA H 30 4.772 4.772 4.236 0.536 26047 9359 1 20 . 1 1 30 30 LEU C C 30 179.278 179.278 178.754 0.524 26047 9360 1 20 . 1 1 30 30 LEU CA C 30 54.169 54.169 55.880 -1.711 26047 9361 1 20 . 1 1 30 30 LEU CB C 30 41.634 41.634 42.648 -1.014 26047 9362 1 20 . 1 1 30 30 LEU H H 30 8.433 8.433 8.845 -0.412 26047 9363 1 20 . 1 1 31 31 GLU N N 31 120.636 120.636 120.782 -0.146 26047 9364 1 20 . 1 1 31 31 GLU HA H 31 3.816 3.816 3.998 -0.182 26047 9365 1 20 . 1 1 31 31 GLU C C 31 176.568 176.568 177.502 -0.934 26047 9366 1 20 . 1 1 31 31 GLU CA C 31 59.788 59.788 59.264 0.524 26047 9367 1 20 . 1 1 31 31 GLU CB C 31 29.883 29.883 29.706 0.177 26047 9368 1 20 . 1 1 31 31 GLU H H 31 9.110 9.110 9.067 0.043 26047 9369 1 20 . 1 1 32 32 ASP N N 32 115.429 115.429 115.358 0.071 26047 9370 1 20 . 1 1 32 32 ASP HA H 32 4.420 4.420 4.694 -0.274 26047 9371 1 20 . 1 1 32 32 ASP C C 32 177.209 177.209 176.017 1.192 26047 9372 1 20 . 1 1 32 32 ASP CA C 32 53.556 53.556 54.111 -0.555 26047 9373 1 20 . 1 1 32 32 ASP CB C 32 40.030 40.030 41.483 -1.453 26047 9374 1 20 . 1 1 32 32 ASP H H 32 7.826 7.826 8.182 -0.356 26047 9375 1 20 . 1 1 37 37 ASP N N 37 118.871 118.871 122.853 -3.982 26047 9376 1 20 . 1 1 37 37 ASP HA H 37 4.827 4.827 5.042 -0.215 26047 9377 1 20 . 1 1 37 37 ASP C C 37 174.807 174.807 174.504 0.303 26047 9378 1 20 . 1 1 37 37 ASP CA C 37 54.739 54.739 54.905 -0.166 26047 9379 1 20 . 1 1 37 37 ASP CB C 37 44.386 44.386 44.039 0.347 26047 9380 1 20 . 1 1 37 37 ASP H H 37 6.765 6.765 7.755 -0.990 26047 9381 1 20 . 1 1 38 38 SER N N 38 118.532 118.532 119.298 -0.766 26047 9382 1 20 . 1 1 38 38 SER HA H 38 4.581 4.581 4.730 -0.149 26047 9383 1 20 . 1 1 38 38 SER C C 38 174.967 174.967 174.508 0.459 26047 9384 1 20 . 1 1 38 38 SER CA C 38 57.033 57.033 57.018 0.015 26047 9385 1 20 . 1 1 38 38 SER CB C 38 64.862 64.862 65.666 -0.804 26047 9386 1 20 . 1 1 38 38 SER H H 38 8.196 8.196 8.576 -0.380 26047 9387 1 20 . 1 1 39 39 SER N N 39 124.920 124.920 120.386 4.534 26047 9388 1 20 . 1 1 39 39 SER HA H 39 4.131 4.131 4.321 -0.190 26047 9389 1 20 . 1 1 39 39 SER C C 39 177.101 177.101 176.258 0.843 26047 9390 1 20 . 1 1 39 39 SER CA C 39 61.690 61.690 60.658 1.032 26047 9391 1 20 . 1 1 39 39 SER CB C 39 61.632 61.632 63.111 -1.479 26047 9392 1 20 . 1 1 39 39 SER H H 39 7.872 7.872 8.000 -0.128 26047 9393 1 20 . 1 1 40 40 ARG N N 40 124.309 124.309 120.572 3.737 26047 9394 1 20 . 1 1 40 40 ARG HA H 40 3.607 3.607 4.329 -0.722 26047 9395 1 20 . 1 1 40 40 ARG C C 40 179.844 179.844 178.420 1.424 26047 9396 1 20 . 1 1 40 40 ARG CA C 40 58.859 58.859 58.324 0.535 26047 9397 1 20 . 1 1 40 40 ARG CB C 40 28.763 28.763 29.347 -0.584 26047 9398 1 20 . 1 1 40 40 ARG H H 40 7.617 7.617 7.790 -0.173 26047 9399 1 20 . 1 1 41 41 ASP N N 41 118.394 118.394 120.543 -2.149 26047 9400 1 20 . 1 1 41 41 ASP HA H 41 4.314 4.314 4.464 -0.150 26047 9401 1 20 . 1 1 41 41 ASP C C 41 176.750 176.750 177.201 -0.451 26047 9402 1 20 . 1 1 41 41 ASP CA C 41 56.536 56.536 56.919 -0.383 26047 9403 1 20 . 1 1 41 41 ASP CB C 41 40.095 40.095 40.312 -0.217 26047 9404 1 20 . 1 1 41 41 ASP H H 41 7.079 7.079 8.573 -1.494 26047 9405 1 20 . 1 1 42 42 ARG N N 42 115.037 115.037 117.143 -2.106 26047 9406 1 20 . 1 1 42 42 ARG HA H 42 4.431 4.431 4.406 0.025 26047 9407 1 20 . 1 1 42 42 ARG C C 42 175.430 175.430 175.666 -0.236 26047 9408 1 20 . 1 1 42 42 ARG CA C 42 56.099 56.099 55.797 0.302 26047 9409 1 20 . 1 1 42 42 ARG CB C 42 31.577 31.577 30.419 1.158 26047 9410 1 20 . 1 1 42 42 ARG H H 42 6.859 6.859 7.793 -0.934 26047 9411 1 20 . 1 1 49 49 MET N N 49 123.105 123.105 120.625 2.480 26047 9412 1 20 . 1 1 49 49 MET HA H 49 4.681 4.681 4.937 -0.256 26047 9413 1 20 . 1 1 49 49 MET C C 49 176.492 176.492 175.062 1.430 26047 9414 1 20 . 1 1 49 49 MET CA C 49 54.487 54.487 54.633 -0.146 26047 9415 1 20 . 1 1 49 49 MET CB C 49 33.755 33.755 35.190 -1.435 26047 9416 1 20 . 1 1 49 49 MET H H 49 9.261 9.261 8.649 0.612 26047 9417 1 20 . 1 1 50 50 LEU N N 50 131.689 131.689 123.916 7.773 26047 9418 1 20 . 1 1 50 50 LEU HA H 50 4.210 4.210 4.709 -0.499 26047 9419 1 20 . 1 1 50 50 LEU C C 50 177.825 177.825 178.047 -0.222 26047 9420 1 20 . 1 1 50 50 LEU CA C 50 57.249 57.249 54.306 2.943 26047 9421 1 20 . 1 1 50 50 LEU CB C 50 41.752 41.752 41.401 0.351 26047 9422 1 20 . 1 1 50 50 LEU H H 50 8.633 8.633 7.800 0.833 26047 9423 1 20 . 1 1 54 54 GLU N N 54 117.417 117.417 119.729 -2.312 26047 9424 1 20 . 1 1 54 54 GLU HA H 54 4.220 4.220 4.256 -0.036 26047 9425 1 20 . 1 1 54 54 GLU C C 54 176.221 176.221 176.182 0.039 26047 9426 1 20 . 1 1 54 54 GLU CA C 54 57.447 57.447 57.864 -0.417 26047 9427 1 20 . 1 1 54 54 GLU CB C 54 31.200 31.200 30.419 0.781 26047 9428 1 20 . 1 1 54 54 GLU H H 54 9.389 9.389 8.798 0.591 26047 9429 1 20 . 1 1 55 55 VAL N N 55 108.426 108.426 114.308 -5.882 26047 9430 1 20 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.234 0.080 26047 9431 1 20 . 1 1 55 55 VAL C C 55 175.226 175.226 175.062 0.164 26047 9432 1 20 . 1 1 55 55 VAL CA C 55 57.461 57.461 59.862 -2.401 26047 9433 1 20 . 1 1 55 55 VAL CB C 55 35.557 35.557 33.640 1.917 26047 9434 1 20 . 1 1 55 55 VAL H H 55 6.820 6.820 7.423 -0.603 26047 9435 1 20 . 1 1 56 56 ILE N N 56 111.618 111.618 113.674 -2.056 26047 9436 1 20 . 1 1 56 56 ILE HA H 56 3.853 3.853 4.103 -0.250 26047 9437 1 20 . 1 1 56 56 ILE C C 56 177.344 177.344 176.379 0.965 26047 9438 1 20 . 1 1 56 56 ILE CA C 56 61.975 61.975 60.268 1.707 26047 9439 1 20 . 1 1 56 56 ILE CB C 56 38.342 38.342 38.300 0.042 26047 9440 1 20 . 1 1 56 56 ILE H H 56 7.404 7.404 7.432 -0.028 26047 9441 1 20 . 1 1 57 57 ARG N N 57 124.436 124.436 123.760 0.676 26047 9442 1 20 . 1 1 57 57 ARG HA H 57 4.063 4.063 4.012 0.051 26047 9443 1 20 . 1 1 57 57 ARG C C 57 179.428 179.428 178.538 0.890 26047 9444 1 20 . 1 1 57 57 ARG CA C 57 59.838 59.838 59.686 0.152 26047 9445 1 20 . 1 1 57 57 ARG CB C 57 30.630 30.630 30.182 0.448 26047 9446 1 20 . 1 1 57 57 ARG H H 57 8.631 8.631 8.459 0.172 26047 9447 1 20 . 1 1 58 58 GLY N N 58 107.151 107.151 105.044 2.107 26047 9448 1 20 . 1 1 58 58 GLY C C 58 175.210 175.210 175.467 -0.257 26047 9449 1 20 . 1 1 58 58 GLY CA C 58 47.621 47.621 46.692 0.929 26047 9450 1 20 . 1 1 58 58 GLY H H 58 9.688 9.688 7.966 1.722 26047 9451 1 20 . 1 1 59 59 TRP N N 59 119.956 119.956 121.414 -1.458 26047 9452 1 20 . 1 1 59 59 TRP HA H 59 4.227 4.227 4.524 -0.297 26047 9453 1 20 . 1 1 59 59 TRP C C 59 177.529 177.529 178.615 -1.086 26047 9454 1 20 . 1 1 59 59 TRP CA C 59 59.681 59.681 58.490 1.191 26047 9455 1 20 . 1 1 59 59 TRP CB C 59 29.092 29.092 29.349 -0.257 26047 9456 1 20 . 1 1 59 59 TRP H H 59 7.534 7.534 7.489 0.045 26047 9457 1 20 . 1 1 60 60 GLU N N 60 118.374 118.374 118.973 -0.599 26047 9458 1 20 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.198 -0.308 26047 9459 1 20 . 1 1 60 60 GLU C C 60 178.377 178.377 179.300 -0.923 26047 9460 1 20 . 1 1 60 60 GLU CA C 60 61.081 61.081 59.972 1.109 26047 9461 1 20 . 1 1 60 60 GLU CB C 60 29.417 29.417 29.516 -0.099 26047 9462 1 20 . 1 1 60 60 GLU H H 60 7.275 7.275 8.016 -0.741 26047 9463 1 20 . 1 1 61 61 GLU N N 61 113.896 113.896 117.758 -3.862 26047 9464 1 20 . 1 1 61 61 GLU HA H 61 4.149 4.149 4.340 -0.191 26047 9465 1 20 . 1 1 61 61 GLU C C 61 179.320 179.320 178.292 1.028 26047 9466 1 20 . 1 1 61 61 GLU CA C 61 58.633 58.633 57.726 0.907 26047 9467 1 20 . 1 1 61 61 GLU CB C 61 29.872 29.872 29.881 -0.009 26047 9468 1 20 . 1 1 61 61 GLU H H 61 8.390 8.390 8.173 0.217 26047 9469 1 20 . 1 1 62 62 GLY N N 62 106.899 106.899 108.335 -1.436 26047 9470 1 20 . 1 1 62 62 GLY C C 62 174.585 174.585 176.246 -1.661 26047 9471 1 20 . 1 1 62 62 GLY CA C 62 47.194 47.194 46.336 0.858 26047 9472 1 20 . 1 1 62 62 GLY H H 62 7.932 7.932 7.750 0.182 26047 9473 1 20 . 1 1 63 63 VAL N N 63 120.730 120.730 122.701 -1.971 26047 9474 1 20 . 1 1 63 63 VAL HA H 63 3.927 3.927 3.889 0.038 26047 9475 1 20 . 1 1 63 63 VAL C C 63 177.334 177.334 177.466 -0.132 26047 9476 1 20 . 1 1 63 63 VAL CA C 63 65.419 65.419 64.103 1.316 26047 9477 1 20 . 1 1 63 63 VAL CB C 63 31.126 31.126 31.496 -0.370 26047 9478 1 20 . 1 1 63 63 VAL H H 63 8.688 8.688 8.573 0.115 26047 9479 1 20 . 1 1 64 64 ALA N N 64 117.132 117.132 120.635 -3.503 26047 9480 1 20 . 1 1 64 64 ALA HA H 64 4.014 4.014 4.318 -0.304 26047 9481 1 20 . 1 1 64 64 ALA C C 64 177.759 177.759 178.157 -0.398 26047 9482 1 20 . 1 1 64 64 ALA CA C 64 54.526 54.526 53.904 0.622 26047 9483 1 20 . 1 1 64 64 ALA CB C 64 18.715 18.715 18.495 0.220 26047 9484 1 20 . 1 1 64 64 ALA H H 64 7.160 7.160 8.085 -0.925 26047 9485 1 20 . 1 1 65 65 GLN N N 65 112.231 112.231 116.270 -4.039 26047 9486 1 20 . 1 1 65 65 GLN HA H 65 4.359 4.359 4.369 -0.010 26047 9487 1 20 . 1 1 65 65 GLN C C 65 175.568 175.568 175.892 -0.324 26047 9488 1 20 . 1 1 65 65 GLN CA C 65 55.459 55.459 56.037 -0.578 26047 9489 1 20 . 1 1 65 65 GLN CB C 65 30.028 30.028 29.549 0.479 26047 9490 1 20 . 1 1 65 65 GLN H H 65 7.143 7.143 7.858 -0.715 26047 9491 1 20 . 1 1 66 66 MET N N 66 122.412 122.412 118.545 3.867 26047 9492 1 20 . 1 1 66 66 MET HA H 66 4.788 4.788 4.798 -0.010 26047 9493 1 20 . 1 1 66 66 MET C C 66 172.467 172.467 174.990 -2.523 26047 9494 1 20 . 1 1 66 66 MET CA C 66 55.118 55.118 54.279 0.839 26047 9495 1 20 . 1 1 66 66 MET CB C 66 35.667 35.667 34.876 0.791 26047 9496 1 20 . 1 1 66 66 MET H H 66 7.965 7.965 7.510 0.455 26047 9497 1 20 . 1 1 67 67 SER N N 67 107.611 107.611 114.142 -6.531 26047 9498 1 20 . 1 1 67 67 SER HA H 67 4.833 4.833 4.427 0.406 26047 9499 1 20 . 1 1 67 67 SER C C 67 176.275 176.275 174.492 1.783 26047 9500 1 20 . 1 1 67 67 SER CA C 67 54.465 54.465 55.744 -1.279 26047 9501 1 20 . 1 1 67 67 SER CB C 67 65.982 65.982 64.958 1.024 26047 9502 1 20 . 1 1 67 67 SER H H 67 8.182 8.182 8.191 -0.009 26047 9503 1 20 . 1 1 68 68 VAL N N 68 119.266 119.266 120.875 -1.609 26047 9504 1 20 . 1 1 68 68 VAL HA H 68 3.105 3.105 3.585 -0.480 26047 9505 1 20 . 1 1 68 68 VAL C C 68 176.390 176.390 176.738 -0.348 26047 9506 1 20 . 1 1 68 68 VAL CA C 68 67.074 67.074 64.962 2.112 26047 9507 1 20 . 1 1 68 68 VAL CB C 68 31.503 31.503 30.068 1.435 26047 9508 1 20 . 1 1 68 68 VAL H H 68 7.650 7.650 8.232 -0.582 26047 9509 1 20 . 1 1 69 69 GLY N N 69 116.900 116.900 114.727 2.173 26047 9510 1 20 . 1 1 69 69 GLY C C 69 173.934 173.934 173.775 0.159 26047 9511 1 20 . 1 1 69 69 GLY CA C 69 44.407 44.407 45.005 -0.598 26047 9512 1 20 . 1 1 69 69 GLY H H 69 8.855 8.855 8.748 0.107 26047 9513 1 20 . 1 1 70 70 GLN N N 70 123.210 123.210 120.640 2.570 26047 9514 1 20 . 1 1 70 70 GLN HA H 70 4.035 4.035 4.763 -0.728 26047 9515 1 20 . 1 1 70 70 GLN C C 70 173.663 173.663 174.437 -0.774 26047 9516 1 20 . 1 1 70 70 GLN CA C 70 55.788 55.788 54.775 1.013 26047 9517 1 20 . 1 1 70 70 GLN CB C 70 30.551 30.551 31.426 -0.875 26047 9518 1 20 . 1 1 70 70 GLN H H 70 8.607 8.607 7.925 0.682 26047 9519 1 20 . 1 1 71 71 ARG N N 71 124.586 124.586 126.103 -1.517 26047 9520 1 20 . 1 1 71 71 ARG HA H 71 5.660 5.660 4.851 0.809 26047 9521 1 20 . 1 1 71 71 ARG C C 71 175.582 175.582 173.995 1.587 26047 9522 1 20 . 1 1 71 71 ARG CA C 71 53.936 53.936 54.703 -0.767 26047 9523 1 20 . 1 1 71 71 ARG CB C 71 33.739 33.739 32.566 1.173 26047 9524 1 20 . 1 1 71 71 ARG H H 71 8.802 8.802 8.677 0.125 26047 9525 1 20 . 1 1 75 75 THR N N 75 121.856 121.856 121.137 0.719 26047 9526 1 20 . 1 1 75 75 THR HA H 75 5.052 5.052 4.718 0.334 26047 9527 1 20 . 1 1 75 75 THR C C 75 175.079 175.079 173.719 1.360 26047 9528 1 20 . 1 1 75 75 THR CA C 75 63.355 63.355 62.903 0.452 26047 9529 1 20 . 1 1 75 75 THR CB C 75 68.790 68.790 69.269 -0.479 26047 9530 1 20 . 1 1 75 75 THR H H 75 8.884 8.884 8.795 0.089 26047 9531 1 20 . 1 1 76 76 ILE N N 76 129.859 129.859 128.166 1.693 26047 9532 1 20 . 1 1 76 76 ILE HA H 76 4.680 4.680 4.730 -0.050 26047 9533 1 20 . 1 1 76 76 ILE C C 76 173.943 173.943 175.573 -1.630 26047 9534 1 20 . 1 1 76 76 ILE CA C 76 60.898 60.898 58.392 2.506 26047 9535 1 20 . 1 1 76 76 ILE CB C 76 41.236 41.236 39.664 1.572 26047 9536 1 20 . 1 1 76 76 ILE H H 76 9.864 9.864 8.877 0.987 26047 9537 1 20 . 1 1 77 77 SER N N 77 123.243 123.243 120.552 2.691 26047 9538 1 20 . 1 1 77 77 SER HA H 77 4.732 4.732 5.121 -0.389 26047 9539 1 20 . 1 1 77 77 SER C C 77 173.647 173.647 173.935 -0.288 26047 9540 1 20 . 1 1 77 77 SER CA C 77 57.726 57.726 55.461 2.265 26047 9541 1 20 . 1 1 77 77 SER CB C 77 62.763 62.763 63.413 -0.650 26047 9542 1 20 . 1 1 77 77 SER H H 77 8.612 8.612 8.412 0.200 26047 9543 1 20 . 1 1 78 78 PRO HA H 78 4.488 4.488 4.367 0.121 26047 9544 1 20 . 1 1 78 78 PRO C C 78 180.133 180.133 177.244 2.889 26047 9545 1 20 . 1 1 78 78 PRO CA C 78 65.828 65.828 65.061 0.768 26047 9546 1 20 . 1 1 78 78 PRO CB C 78 30.995 30.995 32.209 -1.214 26047 9547 1 20 . 1 1 79 79 ASP N N 79 115.934 115.934 115.941 -0.007 26047 9548 1 20 . 1 1 79 79 ASP HA H 79 4.390 4.390 4.562 -0.172 26047 9549 1 20 . 1 1 79 79 ASP C C 79 176.810 176.810 177.408 -0.598 26047 9550 1 20 . 1 1 79 79 ASP CA C 79 56.159 56.159 56.555 -0.396 26047 9551 1 20 . 1 1 79 79 ASP CB C 79 39.361 39.361 41.003 -1.642 26047 9552 1 20 . 1 1 79 79 ASP H H 79 8.799 8.799 8.694 0.105 26047 9553 1 20 . 1 1 80 80 TYR N N 80 120.969 120.969 118.855 2.114 26047 9554 1 20 . 1 1 80 80 TYR HA H 80 4.377 4.377 4.470 -0.093 26047 9555 1 20 . 1 1 80 80 TYR C C 80 173.332 173.332 176.553 -3.221 26047 9556 1 20 . 1 1 80 80 TYR CA C 80 57.597 57.597 59.489 -1.892 26047 9557 1 20 . 1 1 80 80 TYR CB C 80 38.903 38.903 39.581 -0.678 26047 9558 1 20 . 1 1 80 80 TYR H H 80 8.116 8.116 7.798 0.318 26047 9559 1 20 . 1 1 81 81 ALA N N 81 125.669 125.669 123.054 2.615 26047 9560 1 20 . 1 1 81 81 ALA HA H 81 4.421 4.421 4.022 0.399 26047 9561 1 20 . 1 1 81 81 ALA C C 81 175.888 175.888 177.356 -1.468 26047 9562 1 20 . 1 1 81 81 ALA CA C 81 51.701 51.701 54.554 -2.853 26047 9563 1 20 . 1 1 81 81 ALA CB C 81 19.334 19.334 19.171 0.163 26047 9564 1 20 . 1 1 81 81 ALA H H 81 7.801 7.801 8.390 -0.589 26047 9565 1 20 . 1 1 82 82 TYR N N 82 122.080 122.080 114.792 7.288 26047 9566 1 20 . 1 1 82 82 TYR HA H 82 4.566 4.566 4.580 -0.014 26047 9567 1 20 . 1 1 82 82 TYR C C 82 176.653 176.653 176.505 0.148 26047 9568 1 20 . 1 1 82 82 TYR CA C 82 58.865 58.865 58.327 0.538 26047 9569 1 20 . 1 1 82 82 TYR CB C 82 37.995 37.995 41.826 -3.831 26047 9570 1 20 . 1 1 82 82 TYR H H 82 9.321 9.321 7.617 1.704 26047 9571 1 20 . 1 1 83 83 GLY N N 83 108.394 108.394 106.537 1.857 26047 9572 1 20 . 1 1 83 83 GLY C C 83 175.214 175.214 172.769 2.445 26047 9573 1 20 . 1 1 83 83 GLY CA C 83 46.827 46.827 45.318 1.509 26047 9574 1 20 . 1 1 83 83 GLY H H 83 8.535 8.535 7.929 0.606 26047 9575 1 20 . 1 1 84 84 ALA HA H 84 3.273 3.273 4.253 -0.980 26047 9576 1 20 . 1 1 84 84 ALA C C 84 177.536 177.536 177.686 -0.150 26047 9577 1 20 . 1 1 84 84 ALA CA C 84 53.514 53.514 53.570 -0.056 26047 9578 1 20 . 1 1 84 84 ALA CB C 84 19.318 19.318 19.114 0.204 26047 9579 1 20 . 1 1 85 85 THR N N 85 109.341 109.341 113.339 -3.998 26047 9580 1 20 . 1 1 85 85 THR HA H 85 4.038 4.038 4.243 -0.205 26047 9581 1 20 . 1 1 85 85 THR C C 85 177.149 177.149 175.390 1.759 26047 9582 1 20 . 1 1 85 85 THR CA C 85 64.040 64.040 62.535 1.505 26047 9583 1 20 . 1 1 85 85 THR CB C 85 69.466 69.466 69.638 -0.172 26047 9584 1 20 . 1 1 85 85 THR H H 85 7.927 7.927 7.980 -0.053 26047 9585 1 20 . 1 1 86 86 GLY N N 86 106.961 106.961 109.167 -2.206 26047 9586 1 20 . 1 1 86 86 GLY C C 86 171.567 171.567 172.975 -1.408 26047 9587 1 20 . 1 1 86 86 GLY CA C 86 45.151 45.151 44.569 0.583 26047 9588 1 20 . 1 1 86 86 GLY H H 86 7.341 7.341 7.699 -0.358 26047 9589 1 20 . 1 1 87 87 HIS N N 87 121.870 121.870 120.214 1.656 26047 9590 1 20 . 1 1 87 87 HIS HA H 87 4.967 4.967 4.656 0.311 26047 9591 1 20 . 1 1 87 87 HIS C C 87 172.750 172.750 173.675 -0.925 26047 9592 1 20 . 1 1 87 87 HIS CA C 87 53.029 53.029 52.638 0.391 26047 9593 1 20 . 1 1 87 87 HIS CB C 87 32.349 32.349 30.608 1.741 26047 9594 1 20 . 1 1 87 87 HIS H H 87 8.799 8.799 7.995 0.804 26047 9595 1 20 . 1 1 88 88 PRO HA H 88 4.132 4.132 4.299 -0.167 26047 9596 1 20 . 1 1 88 88 PRO C C 88 176.585 176.585 177.429 -0.844 26047 9597 1 20 . 1 1 88 88 PRO CA C 88 65.123 65.123 63.698 1.425 26047 9598 1 20 . 1 1 88 88 PRO CB C 88 31.851 31.851 31.748 0.103 26047 9599 1 20 . 1 1 89 89 GLY N N 89 113.445 113.445 113.171 0.274 26047 9600 1 20 . 1 1 89 89 GLY C C 89 174.030 174.030 174.707 -0.677 26047 9601 1 20 . 1 1 89 89 GLY CA C 89 45.251 45.251 45.131 0.120 26047 9602 1 20 . 1 1 89 89 GLY H H 89 8.571 8.571 8.690 -0.119 26047 9603 1 20 . 1 1 90 90 ILE N N 90 118.128 118.128 121.113 -2.985 26047 9604 1 20 . 1 1 90 90 ILE HA H 90 4.252 4.252 4.221 0.031 26047 9605 1 20 . 1 1 90 90 ILE C C 90 174.403 174.403 175.913 -1.510 26047 9606 1 20 . 1 1 90 90 ILE CA C 90 62.855 62.855 62.516 0.339 26047 9607 1 20 . 1 1 90 90 ILE CB C 90 41.565 41.565 39.056 2.509 26047 9608 1 20 . 1 1 90 90 ILE H H 90 8.103 8.103 7.627 0.476 26047 9609 1 20 . 1 1 91 91 ILE N N 91 119.444 119.444 120.362 -0.918 26047 9610 1 20 . 1 1 91 91 ILE HA H 91 4.506 4.506 4.318 0.188 26047 9611 1 20 . 1 1 91 91 ILE C C 91 174.345 174.345 173.767 0.578 26047 9612 1 20 . 1 1 91 91 ILE CA C 91 56.335 56.335 56.998 -0.663 26047 9613 1 20 . 1 1 91 91 ILE CB C 91 40.719 40.719 36.820 3.899 26047 9614 1 20 . 1 1 91 91 ILE H H 91 8.241 8.241 7.559 0.682 26047 9615 1 20 . 1 1 92 92 PRO HA H 92 4.717 4.717 4.690 0.027 26047 9616 1 20 . 1 1 92 92 PRO CB C 92 31.011 31.011 31.386 -0.375 26047 9617 1 20 . 1 1 93 93 PRO HA H 93 3.617 3.617 4.305 -0.688 26047 9618 1 20 . 1 1 93 93 PRO C C 93 175.714 175.714 176.971 -1.257 26047 9619 1 20 . 1 1 93 93 PRO CA C 93 63.618 63.618 63.080 0.538 26047 9620 1 20 . 1 1 93 93 PRO CB C 93 33.171 33.171 32.399 0.772 26047 9621 1 20 . 1 1 94 94 HIS N N 94 115.851 115.851 116.603 -0.752 26047 9622 1 20 . 1 1 94 94 HIS HA H 94 3.804 3.804 4.161 -0.357 26047 9623 1 20 . 1 1 94 94 HIS C C 94 173.821 173.821 173.730 0.091 26047 9624 1 20 . 1 1 94 94 HIS CA C 94 57.145 57.145 57.557 -0.412 26047 9625 1 20 . 1 1 94 94 HIS CB C 94 27.977 27.977 27.701 0.276 26047 9626 1 20 . 1 1 94 94 HIS H H 94 7.934 7.934 8.515 -0.581 26047 9627 1 20 . 1 1 95 95 ALA N N 95 122.072 122.072 120.856 1.216 26047 9628 1 20 . 1 1 95 95 ALA HA H 95 4.459 4.459 4.643 -0.184 26047 9629 1 20 . 1 1 95 95 ALA C C 95 177.246 177.246 175.551 1.695 26047 9630 1 20 . 1 1 95 95 ALA CA C 95 52.728 52.728 50.818 1.911 26047 9631 1 20 . 1 1 95 95 ALA CB C 95 20.567 20.567 21.792 -1.225 26047 9632 1 20 . 1 1 95 95 ALA H H 95 7.706 7.706 7.725 -0.019 26047 9633 1 20 . 1 1 96 96 THR N N 96 122.875 122.875 119.023 3.852 26047 9634 1 20 . 1 1 96 96 THR HA H 96 4.650 4.650 4.410 0.240 26047 9635 1 20 . 1 1 96 96 THR C C 96 173.818 173.818 173.903 -0.085 26047 9636 1 20 . 1 1 96 96 THR CA C 96 63.778 63.778 63.594 0.184 26047 9637 1 20 . 1 1 96 96 THR CB C 96 69.588 69.588 69.636 -0.048 26047 9638 1 20 . 1 1 96 96 THR H H 96 8.448 8.448 8.231 0.217 26047 9639 1 20 . 1 1 97 97 LEU N N 97 124.809 124.809 124.438 0.371 26047 9640 1 20 . 1 1 97 97 LEU HA H 97 5.110 5.110 4.702 0.408 26047 9641 1 20 . 1 1 97 97 LEU C C 97 175.041 175.041 175.291 -0.250 26047 9642 1 20 . 1 1 97 97 LEU CA C 97 52.832 52.832 53.960 -1.128 26047 9643 1 20 . 1 1 97 97 LEU CB C 97 46.391 46.391 45.383 1.008 26047 9644 1 20 . 1 1 97 97 LEU H H 97 8.725 8.725 9.001 -0.276 26047 9645 1 20 . 1 1 98 98 VAL N N 98 121.081 121.081 118.963 2.118 26047 9646 1 20 . 1 1 98 98 VAL HA H 98 5.215 5.215 4.565 0.650 26047 9647 1 20 . 1 1 98 98 VAL C C 98 175.150 175.150 174.496 0.654 26047 9648 1 20 . 1 1 98 98 VAL CA C 98 60.662 60.662 61.118 -0.456 26047 9649 1 20 . 1 1 98 98 VAL CB C 98 34.355 34.355 33.662 0.693 26047 9650 1 20 . 1 1 98 98 VAL H H 98 8.692 8.692 8.590 0.102 26047 9651 1 20 . 1 1 99 99 PHE N N 99 123.638 123.638 125.387 -1.749 26047 9652 1 20 . 1 1 99 99 PHE HA H 99 5.754 5.754 5.682 0.072 26047 9653 1 20 . 1 1 99 99 PHE C C 99 174.328 174.328 174.138 0.190 26047 9654 1 20 . 1 1 99 99 PHE CA C 99 55.196 55.196 56.553 -1.357 26047 9655 1 20 . 1 1 99 99 PHE CB C 99 43.396 43.396 43.585 -0.189 26047 9656 1 20 . 1 1 99 99 PHE H H 99 9.724 9.724 9.336 0.388 26047 9657 1 20 . 1 1 100 100 ASP N N 100 124.358 124.358 124.517 -0.159 26047 9658 1 20 . 1 1 100 100 ASP HA H 100 5.164 5.164 5.075 0.089 26047 9659 1 20 . 1 1 100 100 ASP C C 100 176.946 176.946 175.414 1.532 26047 9660 1 20 . 1 1 100 100 ASP CA C 100 52.778 52.778 53.150 -0.372 26047 9661 1 20 . 1 1 100 100 ASP CB C 100 42.320 42.320 43.106 -0.786 26047 9662 1 20 . 1 1 100 100 ASP H H 100 8.775 8.775 8.607 0.168 26047 9663 1 20 . 1 1 101 101 VAL N N 101 126.428 126.428 119.783 6.645 26047 9664 1 20 . 1 1 101 101 VAL HA H 101 5.057 5.057 5.497 -0.440 26047 9665 1 20 . 1 1 101 101 VAL C C 101 172.620 172.620 174.113 -1.493 26047 9666 1 20 . 1 1 101 101 VAL CA C 101 61.041 61.041 59.277 1.764 26047 9667 1 20 . 1 1 101 101 VAL CB C 101 35.481 35.481 34.211 1.270 26047 9668 1 20 . 1 1 101 101 VAL H H 101 9.513 9.513 7.706 1.807 26047 9669 1 20 . 1 1 102 102 GLU N N 102 128.393 128.393 120.539 7.854 26047 9670 1 20 . 1 1 102 102 GLU HA H 102 5.392 5.392 4.914 0.478 26047 9671 1 20 . 1 1 102 102 GLU C C 102 175.174 175.174 175.059 0.115 26047 9672 1 20 . 1 1 102 102 GLU CA C 102 53.979 53.979 53.743 0.236 26047 9673 1 20 . 1 1 102 102 GLU CB C 102 33.852 33.852 32.733 1.119 26047 9674 1 20 . 1 1 102 102 GLU H H 102 9.285 9.285 8.206 1.079 26047 9675 1 20 . 1 1 103 103 LEU N N 103 128.290 128.290 125.703 2.587 26047 9676 1 20 . 1 1 103 103 LEU HA H 103 4.671 4.671 4.318 0.353 26047 9677 1 20 . 1 1 103 103 LEU C C 103 174.266 174.266 175.859 -1.593 26047 9678 1 20 . 1 1 103 103 LEU CA C 103 54.356 54.356 54.707 -0.351 26047 9679 1 20 . 1 1 103 103 LEU CB C 103 41.465 41.465 40.555 0.910 26047 9680 1 20 . 1 1 103 103 LEU H H 103 8.613 8.613 8.768 -0.155 26047 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 80 3.080 -0.147 3.096 26047 2 1 1 "Average Difference" HA 98 0.420 0.037 0.421 26047 3 1 1 "Average Difference" C 86 1.051 -0.021 1.057 26047 4 1 1 "Average Difference" CA 86 1.183 -0.329 1.143 26047 5 1 1 "Average Difference" CB 76 1.349 -0.188 1.345 26047 6 1 1 "Average Difference" HN 80 0.650 -0.200 0.622 26047 7 1 2 "Average Difference" N 80 3.240 -0.309 3.246 26047 8 1 2 "Average Difference" HA 98 0.414 0.040 0.414 26047 9 1 2 "Average Difference" C 86 1.057 -0.007 1.064 26047 10 1 2 "Average Difference" CA 86 1.180 -0.254 1.159 26047 11 1 2 "Average Difference" CB 76 1.359 -0.162 1.359 26047 12 1 2 "Average Difference" HN 80 0.678 -0.218 0.646 26047 13 1 3 "Average Difference" N 80 2.962 -0.159 2.976 26047 14 1 3 "Average Difference" HA 98 0.436 0.048 0.436 26047 15 1 3 "Average Difference" C 86 1.017 -0.040 1.022 26047 16 1 3 "Average Difference" CA 86 1.188 -0.408 1.122 26047 17 1 3 "Average Difference" CB 76 1.327 -0.242 1.314 26047 18 1 3 "Average Difference" HN 80 0.640 -0.175 0.620 26047 19 1 4 "Average Difference" N 80 3.107 -0.176 3.121 26047 20 1 4 "Average Difference" HA 98 0.436 0.045 0.436 26047 21 1 4 "Average Difference" C 86 1.091 -0.007 1.098 26047 22 1 4 "Average Difference" CA 86 1.208 -0.273 1.183 26047 23 1 4 "Average Difference" CB 76 1.329 -0.212 1.321 26047 24 1 4 "Average Difference" HN 80 0.676 -0.195 0.651 26047 25 1 5 "Average Difference" N 80 3.175 -0.170 3.190 26047 26 1 5 "Average Difference" HA 98 0.432 0.052 0.431 26047 27 1 5 "Average Difference" C 86 1.079 0.009 1.085 26047 28 1 5 "Average Difference" CA 86 1.185 -0.331 1.144 26047 29 1 5 "Average Difference" CB 76 1.349 -0.150 1.349 26047 30 1 5 "Average Difference" HN 80 0.664 -0.171 0.646 26047 31 1 6 "Average Difference" N 80 3.078 -0.108 3.096 26047 32 1 6 "Average Difference" HA 98 0.426 0.049 0.426 26047 33 1 6 "Average Difference" C 86 1.057 -0.009 1.063 26047 34 1 6 "Average Difference" CA 86 1.145 -0.308 1.109 26047 35 1 6 "Average Difference" CB 76 1.362 -0.175 1.360 26047 36 1 6 "Average Difference" HN 80 0.666 -0.185 0.644 26047 37 1 7 "Average Difference" N 80 3.115 -0.068 3.134 26047 38 1 7 "Average Difference" HA 98 0.446 0.039 0.447 26047 39 1 7 "Average Difference" C 86 1.085 0.024 1.091 26047 40 1 7 "Average Difference" CA 86 1.204 -0.264 1.182 26047 41 1 7 "Average Difference" CB 76 1.402 -0.229 1.392 26047 42 1 7 "Average Difference" HN 80 0.663 -0.170 0.645 26047 43 1 8 "Average Difference" N 80 3.004 -0.055 3.022 26047 44 1 8 "Average Difference" HA 98 0.433 0.054 0.432 26047 45 1 8 "Average Difference" C 86 1.055 -0.012 1.061 26047 46 1 8 "Average Difference" CA 86 1.184 -0.327 1.144 26047 47 1 8 "Average Difference" CB 76 1.368 -0.145 1.370 26047 48 1 8 "Average Difference" HN 80 0.652 -0.179 0.631 26047 49 1 9 "Average Difference" N 80 3.064 -0.195 3.077 26047 50 1 9 "Average Difference" HA 98 0.437 0.053 0.436 26047 51 1 9 "Average Difference" C 86 1.081 0.006 1.087 26047 52 1 9 "Average Difference" CA 86 1.203 -0.327 1.165 26047 53 1 9 "Average Difference" CB 76 1.319 -0.181 1.315 26047 54 1 9 "Average Difference" HN 80 0.660 -0.177 0.640 26047 55 1 10 "Average Difference" N 80 3.187 -0.107 3.205 26047 56 1 10 "Average Difference" HA 98 0.407 0.035 0.408 26047 57 1 10 "Average Difference" C 86 1.059 0.011 1.065 26047 58 1 10 "Average Difference" CA 86 1.202 -0.346 1.158 26047 59 1 10 "Average Difference" CB 76 1.345 -0.205 1.338 26047 60 1 10 "Average Difference" HN 80 0.662 -0.207 0.633 26047 61 1 11 "Average Difference" N 80 2.993 -0.096 3.011 26047 62 1 11 "Average Difference" HA 98 0.432 0.050 0.431 26047 63 1 11 "Average Difference" C 86 1.049 -0.000 1.055 26047 64 1 11 "Average Difference" CA 86 1.179 -0.312 1.144 26047 65 1 11 "Average Difference" CB 76 1.345 -0.152 1.346 26047 66 1 11 "Average Difference" HN 80 0.652 -0.191 0.627 26047 67 1 12 "Average Difference" N 80 3.207 -0.130 3.225 26047 68 1 12 "Average Difference" HA 98 0.414 0.038 0.414 26047 69 1 12 "Average Difference" C 86 1.055 -0.004 1.061 26047 70 1 12 "Average Difference" CA 86 1.180 -0.304 1.147 26047 71 1 12 "Average Difference" CB 76 1.372 -0.203 1.366 26047 72 1 12 "Average Difference" HN 80 0.671 -0.159 0.656 26047 73 1 13 "Average Difference" N 80 3.155 -0.198 3.168 26047 74 1 13 "Average Difference" HA 98 0.406 0.030 0.407 26047 75 1 13 "Average Difference" C 86 1.026 0.003 1.032 26047 76 1 13 "Average Difference" CA 86 1.194 -0.312 1.159 26047 77 1 13 "Average Difference" CB 76 1.337 -0.239 1.324 26047 78 1 13 "Average Difference" HN 80 0.688 -0.211 0.658 26047 79 1 14 "Average Difference" N 80 3.175 -0.119 3.193 26047 80 1 14 "Average Difference" HA 98 0.415 0.031 0.416 26047 81 1 14 "Average Difference" C 86 1.081 0.033 1.087 26047 82 1 14 "Average Difference" CA 86 1.208 -0.300 1.177 26047 83 1 14 "Average Difference" CB 76 1.330 -0.209 1.322 26047 84 1 14 "Average Difference" HN 80 0.659 -0.192 0.635 26047 85 1 15 "Average Difference" N 80 3.116 -0.113 3.133 26047 86 1 15 "Average Difference" HA 98 0.423 0.042 0.424 26047 87 1 15 "Average Difference" C 86 1.065 0.005 1.071 26047 88 1 15 "Average Difference" CA 86 1.208 -0.299 1.178 26047 89 1 15 "Average Difference" CB 76 1.357 -0.183 1.354 26047 90 1 15 "Average Difference" HN 80 0.669 -0.182 0.648 26047 91 1 16 "Average Difference" N 80 3.200 -0.088 3.219 26047 92 1 16 "Average Difference" HA 98 0.430 0.046 0.429 26047 93 1 16 "Average Difference" C 86 1.095 0.005 1.101 26047 94 1 16 "Average Difference" CA 86 1.155 -0.311 1.119 26047 95 1 16 "Average Difference" CB 76 1.324 -0.206 1.317 26047 96 1 16 "Average Difference" HN 80 0.676 -0.181 0.656 26047 97 1 17 "Average Difference" N 80 3.130 -0.151 3.146 26047 98 1 17 "Average Difference" HA 98 0.431 0.051 0.430 26047 99 1 17 "Average Difference" C 86 1.110 -0.025 1.116 26047 100 1 17 "Average Difference" CA 86 1.186 -0.341 1.143 26047 101 1 17 "Average Difference" CB 76 1.362 -0.170 1.360 26047 102 1 17 "Average Difference" HN 80 0.665 -0.202 0.638 26047 103 1 18 "Average Difference" N 80 3.074 -0.265 3.082 26047 104 1 18 "Average Difference" HA 98 0.431 0.044 0.431 26047 105 1 18 "Average Difference" C 86 1.062 0.047 1.068 26047 106 1 18 "Average Difference" CA 86 1.192 -0.294 1.162 26047 107 1 18 "Average Difference" CB 76 1.357 -0.198 1.352 26047 108 1 18 "Average Difference" HN 80 0.659 -0.201 0.631 26047 109 1 19 "Average Difference" N 80 3.041 -0.105 3.058 26047 110 1 19 "Average Difference" HA 98 0.441 0.053 0.440 26047 111 1 19 "Average Difference" C 86 1.072 -0.031 1.078 26047 112 1 19 "Average Difference" CA 86 1.174 -0.316 1.137 26047 113 1 19 "Average Difference" CB 76 1.348 -0.175 1.346 26047 114 1 19 "Average Difference" HN 80 0.672 -0.187 0.649 26047 115 1 20 "Average Difference" N 80 3.181 -0.120 3.199 26047 116 1 20 "Average Difference" HA 98 0.442 0.057 0.441 26047 117 1 20 "Average Difference" C 86 1.082 -0.001 1.088 26047 118 1 20 "Average Difference" CA 86 1.168 -0.309 1.133 26047 119 1 20 "Average Difference" CB 76 1.340 -0.202 1.334 26047 120 1 20 "Average Difference" HN 80 0.674 -0.188 0.652 26047 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 26047 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 -2 -2 PRO HA H -2 4.485 4.485 4.743 -0.258 26047 2 1 . 1 1 -2 -2 PRO C C -2 176.570 176.570 176.750 -0.180 26047 3 1 . 1 1 -2 -2 PRO CA C -2 63.243 63.243 62.823 0.420 26047 4 1 . 1 1 -2 -2 PRO CB C -2 32.290 32.290 32.686 -0.396 26047 5 1 . 1 1 -1 -1 SER N N -1 116.659 116.659 115.597 1.062 26047 6 1 . 1 1 -1 -1 SER HA H -1 4.422 4.422 4.505 -0.082 26047 7 1 . 1 1 -1 -1 SER C C -1 174.384 174.384 174.387 -0.003 26047 8 1 . 1 1 -1 -1 SER CA C -1 58.230 58.230 58.555 -0.325 26047 9 1 . 1 1 -1 -1 SER CB C -1 63.838 63.838 64.020 -0.182 26047 10 1 . 1 1 -1 -1 SER H H -1 8.542 8.542 8.283 0.259 26047 11 1 . 1 1 0 0 MET N N 0 122.115 122.115 121.195 0.920 26047 12 1 . 1 1 0 0 MET HA H 0 4.441 4.441 4.598 -0.157 26047 13 1 . 1 1 0 0 MET C C 0 176.182 176.182 176.315 -0.133 26047 14 1 . 1 1 0 0 MET CA C 0 55.346 55.346 55.500 -0.154 26047 15 1 . 1 1 0 0 MET CB C 0 33.248 33.248 33.843 -0.595 26047 16 1 . 1 1 0 0 MET H H 0 8.356 8.356 8.156 0.200 26047 17 1 . 1 1 1 1 GLY N N 1 110.724 110.724 108.672 2.052 26047 18 1 . 1 1 1 1 GLY C C 1 172.468 172.468 172.666 -0.198 26047 19 1 . 1 1 1 1 GLY CA C 1 45.585 45.585 44.808 0.777 26047 20 1 . 1 1 1 1 GLY H H 1 8.157 8.157 8.120 0.037 26047 21 1 . 1 1 2 2 VAL N N 2 117.765 117.765 120.143 -2.378 26047 22 1 . 1 1 2 2 VAL HA H 2 4.889 4.889 5.172 -0.283 26047 23 1 . 1 1 2 2 VAL C C 2 173.396 173.396 174.251 -0.855 26047 24 1 . 1 1 2 2 VAL CA C 2 59.731 59.731 59.829 -0.098 26047 25 1 . 1 1 2 2 VAL CB C 2 34.600 34.600 33.770 0.830 26047 26 1 . 1 1 2 2 VAL H H 2 7.471 7.471 7.246 0.225 26047 27 1 . 1 1 3 3 GLN N N 3 126.962 126.962 128.627 -1.665 26047 28 1 . 1 1 3 3 GLN HA H 3 4.686 4.686 4.658 0.028 26047 29 1 . 1 1 3 3 GLN C C 3 174.658 174.658 174.432 0.226 26047 30 1 . 1 1 3 3 GLN CA C 3 54.379 54.379 54.663 -0.284 26047 31 1 . 1 1 3 3 GLN CB C 3 31.669 31.669 31.256 0.413 26047 32 1 . 1 1 3 3 GLN H H 3 8.514 8.514 8.201 0.313 26047 33 1 . 1 1 4 4 VAL N N 4 125.396 125.396 124.551 0.845 26047 34 1 . 1 1 4 4 VAL HA H 4 4.520 4.520 4.335 0.185 26047 35 1 . 1 1 4 4 VAL C C 4 175.411 175.411 175.156 0.255 26047 36 1 . 1 1 4 4 VAL CA C 4 61.993 61.993 61.494 0.499 26047 37 1 . 1 1 4 4 VAL CB C 4 33.355 33.355 33.415 -0.060 26047 38 1 . 1 1 4 4 VAL H H 4 8.823 8.823 8.626 0.197 26047 39 1 . 1 1 5 5 GLU N N 5 128.706 128.706 128.289 0.417 26047 40 1 . 1 1 5 5 GLU HA H 5 4.782 4.782 4.650 0.132 26047 41 1 . 1 1 5 5 GLU C C 5 175.830 175.830 175.564 0.267 26047 42 1 . 1 1 5 5 GLU CA C 5 54.451 54.451 54.480 -0.029 26047 43 1 . 1 1 5 5 GLU CB C 5 32.818 32.818 31.396 1.422 26047 44 1 . 1 1 5 5 GLU H H 5 9.024 9.024 8.646 0.378 26047 45 1 . 1 1 6 6 THR N N 6 124.408 124.408 120.195 4.213 26047 46 1 . 1 1 6 6 THR HA H 6 3.898 3.898 4.237 -0.339 26047 47 1 . 1 1 6 6 THR C C 6 173.675 173.675 174.143 -0.468 26047 48 1 . 1 1 6 6 THR CA C 6 66.715 66.715 63.595 3.120 26047 49 1 . 1 1 6 6 THR CB C 6 68.934 68.934 69.248 -0.314 26047 50 1 . 1 1 6 6 THR H H 6 9.173 9.173 8.675 0.498 26047 51 1 . 1 1 7 7 ILE N N 7 129.476 129.476 127.220 2.256 26047 52 1 . 1 1 7 7 ILE HA H 7 4.071 4.071 4.298 -0.227 26047 53 1 . 1 1 7 7 ILE C C 7 175.768 175.768 176.339 -0.571 26047 54 1 . 1 1 7 7 ILE CA C 7 63.285 63.285 61.930 1.355 26047 55 1 . 1 1 7 7 ILE CB C 7 39.659 39.659 39.424 0.235 26047 56 1 . 1 1 7 7 ILE H H 7 9.329 9.329 9.038 0.291 26047 57 1 . 1 1 8 8 SER N N 8 114.774 114.774 115.572 -0.798 26047 58 1 . 1 1 8 8 SER HA H 8 4.987 4.987 4.955 0.032 26047 59 1 . 1 1 8 8 SER C C 8 171.895 171.895 172.211 -0.316 26047 60 1 . 1 1 8 8 SER CA C 8 55.577 55.577 54.845 0.732 26047 61 1 . 1 1 8 8 SER CB C 8 64.384 64.384 64.702 -0.318 26047 62 1 . 1 1 8 8 SER H H 8 8.300 8.300 8.022 0.278 26047 63 1 . 1 1 9 9 PRO HA H 9 4.331 4.331 4.607 -0.276 26047 64 1 . 1 1 9 9 PRO C C 9 177.628 177.628 176.647 0.981 26047 65 1 . 1 1 9 9 PRO CA C 9 63.646 63.646 62.502 1.144 26047 66 1 . 1 1 9 9 PRO CB C 9 32.910 32.910 32.600 0.310 26047 67 1 . 1 1 10 10 GLY N N 10 107.910 107.910 112.392 -4.482 26047 68 1 . 1 1 10 10 GLY C C 10 174.203 174.203 174.119 0.084 26047 69 1 . 1 1 10 10 GLY CA C 10 44.176 44.176 45.053 -0.877 26047 70 1 . 1 1 10 10 GLY H H 10 8.464 8.464 8.123 0.341 26047 71 1 . 1 1 11 11 ASP N N 11 118.911 118.911 121.313 -2.402 26047 72 1 . 1 1 11 11 ASP HA H 11 4.289 4.289 4.567 -0.278 26047 73 1 . 1 1 11 11 ASP C C 11 178.317 178.317 177.359 0.958 26047 74 1 . 1 1 11 11 ASP CA C 11 54.629 54.629 55.341 -0.712 26047 75 1 . 1 1 11 11 ASP CB C 11 39.382 39.382 42.091 -2.709 26047 76 1 . 1 1 11 11 ASP H H 11 8.049 8.049 8.045 0.004 26047 77 1 . 1 1 12 12 GLY N N 12 108.262 108.262 107.285 0.977 26047 78 1 . 1 1 12 12 GLY C C 12 173.279 173.279 174.378 -1.099 26047 79 1 . 1 1 12 12 GLY CA C 12 46.049 46.049 45.967 0.082 26047 80 1 . 1 1 12 12 GLY H H 12 8.719 8.719 8.123 0.596 26047 81 1 . 1 1 13 13 ARG N N 13 117.671 117.671 116.734 0.937 26047 82 1 . 1 1 13 13 ARG HA H 13 4.709 4.709 4.662 0.047 26047 83 1 . 1 1 13 13 ARG C C 13 175.038 175.038 174.898 0.140 26047 84 1 . 1 1 13 13 ARG CA C 13 56.794 56.794 55.704 1.090 26047 85 1 . 1 1 13 13 ARG CB C 13 34.416 34.416 31.586 2.830 26047 86 1 . 1 1 13 13 ARG H H 13 8.539 8.539 8.026 0.513 26047 87 1 . 1 1 14 14 THR N N 14 125.323 125.323 118.312 7.011 26047 88 1 . 1 1 14 14 THR HA H 14 4.205 4.205 4.618 -0.413 26047 89 1 . 1 1 14 14 THR C C 14 172.353 172.353 172.831 -0.478 26047 90 1 . 1 1 14 14 THR CA C 14 62.060 62.060 61.602 0.458 26047 91 1 . 1 1 14 14 THR CB C 14 66.395 66.395 69.040 -2.645 26047 92 1 . 1 1 14 14 THR H H 14 10.197 10.197 7.611 2.586 26047 93 1 . 1 1 15 15 PHE N N 15 124.865 124.865 126.317 -1.452 26047 94 1 . 1 1 15 15 PHE HA H 15 5.232 5.232 5.112 0.120 26047 95 1 . 1 1 15 15 PHE C C 15 174.388 174.388 174.773 -0.385 26047 96 1 . 1 1 15 15 PHE CA C 15 54.495 54.495 55.091 -0.596 26047 97 1 . 1 1 15 15 PHE CB C 15 39.883 39.883 39.480 0.403 26047 98 1 . 1 1 15 15 PHE H H 15 8.086 8.086 8.660 -0.574 26047 99 1 . 1 1 19 19 GLY N N 19 112.901 112.901 112.851 0.050 26047 100 1 . 1 1 19 19 GLY C C 19 174.204 174.204 173.304 0.900 26047 101 1 . 1 1 19 19 GLY CA C 19 44.943 44.943 45.121 -0.178 26047 102 1 . 1 1 19 19 GLY H H 19 8.682 8.682 8.491 0.191 26047 103 1 . 1 1 20 20 GLN N N 20 118.698 118.698 119.772 -1.074 26047 104 1 . 1 1 20 20 GLN HA H 20 4.497 4.497 4.645 -0.148 26047 105 1 . 1 1 20 20 GLN C C 20 174.974 174.974 174.803 0.171 26047 106 1 . 1 1 20 20 GLN CA C 20 56.335 56.335 53.955 2.380 26047 107 1 . 1 1 20 20 GLN CB C 20 30.891 30.891 29.781 1.110 26047 108 1 . 1 1 20 20 GLN H H 20 8.103 8.103 7.918 0.185 26047 109 1 . 1 1 21 21 THR N N 21 119.715 119.715 116.121 3.594 26047 110 1 . 1 1 21 21 THR HA H 21 4.457 4.457 4.760 -0.303 26047 111 1 . 1 1 21 21 THR C C 21 173.797 173.797 174.335 -0.538 26047 112 1 . 1 1 21 21 THR CA C 21 63.067 63.067 62.177 0.890 26047 113 1 . 1 1 21 21 THR CB C 21 68.825 68.825 69.508 -0.683 26047 114 1 . 1 1 21 21 THR H H 21 8.729 8.729 8.417 0.312 26047 115 1 . 1 1 22 22 CYS N N 22 126.008 126.008 125.028 0.980 26047 116 1 . 1 1 22 22 CYS HA H 22 4.269 4.269 4.669 -0.400 26047 117 1 . 1 1 22 22 CYS C C 22 172.458 172.458 173.444 -0.986 26047 118 1 . 1 1 22 22 CYS CA C 22 58.011 58.011 57.291 0.720 26047 119 1 . 1 1 22 22 CYS CB C 22 28.794 28.794 28.911 -0.117 26047 120 1 . 1 1 22 22 CYS H H 22 8.826 8.826 8.481 0.346 26047 121 1 . 1 1 23 23 VAL N N 23 123.456 123.456 129.205 -5.749 26047 122 1 . 1 1 23 23 VAL HA H 23 4.595 4.595 4.322 0.273 26047 123 1 . 1 1 23 23 VAL C C 23 175.899 175.899 174.890 1.009 26047 124 1 . 1 1 23 23 VAL CA C 23 61.411 61.411 62.497 -1.086 26047 125 1 . 1 1 23 23 VAL CB C 23 31.277 31.277 31.250 0.027 26047 126 1 . 1 1 23 23 VAL H H 23 8.063 8.063 8.827 -0.764 26047 127 1 . 1 1 24 24 VAL N N 24 118.126 118.126 120.837 -2.711 26047 128 1 . 1 1 24 24 VAL HA H 24 5.852 5.852 4.998 0.855 26047 129 1 . 1 1 24 24 VAL C C 24 175.589 175.589 174.365 1.224 26047 130 1 . 1 1 24 24 VAL CA C 24 57.962 57.962 59.479 -1.517 26047 131 1 . 1 1 24 24 VAL CB C 24 35.885 35.885 36.006 -0.121 26047 132 1 . 1 1 24 24 VAL H H 24 9.620 9.620 8.802 0.818 26047 133 1 . 1 1 25 25 HIS N N 25 118.824 118.824 122.806 -3.982 26047 134 1 . 1 1 25 25 HIS HA H 25 5.865 5.865 5.153 0.712 26047 135 1 . 1 1 25 25 HIS C C 25 176.663 176.663 174.676 1.987 26047 136 1 . 1 1 25 25 HIS CA C 25 54.463 54.463 55.476 -1.013 26047 137 1 . 1 1 25 25 HIS CB C 25 35.454 35.454 31.814 3.640 26047 138 1 . 1 1 25 25 HIS H H 25 8.579 8.579 8.290 0.289 26047 139 1 . 1 1 26 26 TYR N N 26 118.524 118.524 123.137 -4.613 26047 140 1 . 1 1 26 26 TYR HA H 26 6.441 6.441 5.616 0.825 26047 141 1 . 1 1 26 26 TYR C C 26 173.864 173.864 174.748 -0.884 26047 142 1 . 1 1 26 26 TYR CA C 26 55.934 55.934 55.143 0.791 26047 143 1 . 1 1 26 26 TYR CB C 26 44.380 44.380 40.981 3.398 26047 144 1 . 1 1 26 26 TYR H H 26 9.937 9.937 8.941 0.996 26047 145 1 . 1 1 27 27 THR N N 27 117.098 117.098 115.270 1.828 26047 146 1 . 1 1 27 27 THR HA H 27 4.482 4.482 4.556 -0.074 26047 147 1 . 1 1 27 27 THR C C 27 172.648 172.648 173.494 -0.846 26047 148 1 . 1 1 27 27 THR CA C 27 63.163 63.163 61.895 1.268 26047 149 1 . 1 1 27 27 THR CB C 27 72.324 72.324 70.384 1.940 26047 150 1 . 1 1 27 27 THR H H 27 8.716 8.716 8.675 0.041 26047 151 1 . 1 1 28 28 GLY N N 28 115.590 115.590 113.808 1.782 26047 152 1 . 1 1 28 28 GLY C C 28 171.083 171.083 171.406 -0.323 26047 153 1 . 1 1 28 28 GLY CA C 28 45.419 45.419 43.325 2.095 26047 154 1 . 1 1 28 28 GLY H H 28 9.316 9.316 9.057 0.259 26047 155 1 . 1 1 29 29 MET N N 29 125.723 125.723 124.389 1.334 26047 156 1 . 1 1 29 29 MET HA H 29 5.251 5.251 4.580 0.671 26047 157 1 . 1 1 29 29 MET C C 29 175.508 175.508 175.555 -0.047 26047 158 1 . 1 1 29 29 MET CA C 29 54.221 54.221 54.168 0.053 26047 159 1 . 1 1 29 29 MET CB C 29 37.913 37.913 36.703 1.210 26047 160 1 . 1 1 29 29 MET H H 29 9.192 9.192 8.776 0.416 26047 161 1 . 1 1 30 30 LEU N N 30 119.150 119.150 123.611 -4.461 26047 162 1 . 1 1 30 30 LEU HA H 30 4.772 4.772 4.236 0.536 26047 163 1 . 1 1 30 30 LEU C C 30 179.278 179.278 178.733 0.545 26047 164 1 . 1 1 30 30 LEU CA C 30 54.169 54.169 55.968 -1.799 26047 165 1 . 1 1 30 30 LEU CB C 30 41.634 41.634 42.621 -0.987 26047 166 1 . 1 1 30 30 LEU H H 30 8.433 8.433 8.808 -0.375 26047 167 1 . 1 1 31 31 GLU N N 31 120.636 120.636 120.955 -0.319 26047 168 1 . 1 1 31 31 GLU HA H 31 3.816 3.816 4.005 -0.189 26047 169 1 . 1 1 31 31 GLU C C 31 176.568 176.568 177.429 -0.861 26047 170 1 . 1 1 31 31 GLU CA C 31 59.788 59.788 59.250 0.538 26047 171 1 . 1 1 31 31 GLU CB C 31 29.883 29.883 29.709 0.174 26047 172 1 . 1 1 31 31 GLU H H 31 9.110 9.110 9.030 0.080 26047 173 1 . 1 1 32 32 ASP N N 32 115.429 115.429 115.289 0.140 26047 174 1 . 1 1 32 32 ASP HA H 32 4.420 4.420 4.702 -0.282 26047 175 1 . 1 1 32 32 ASP C C 32 177.209 177.209 176.148 1.061 26047 176 1 . 1 1 32 32 ASP CA C 32 53.556 53.556 54.337 -0.781 26047 177 1 . 1 1 32 32 ASP CB C 32 40.030 40.030 41.502 -1.472 26047 178 1 . 1 1 32 32 ASP H H 32 7.826 7.826 8.268 -0.442 26047 179 1 . 1 1 37 37 ASP N N 37 118.871 118.871 122.097 -3.226 26047 180 1 . 1 1 37 37 ASP HA H 37 4.827 4.827 4.837 -0.010 26047 181 1 . 1 1 37 37 ASP C C 37 174.807 174.807 173.987 0.820 26047 182 1 . 1 1 37 37 ASP CA C 37 54.739 54.739 55.117 -0.378 26047 183 1 . 1 1 37 37 ASP CB C 37 44.386 44.386 44.037 0.350 26047 184 1 . 1 1 37 37 ASP H H 37 6.765 6.765 7.714 -0.949 26047 185 1 . 1 1 38 38 SER N N 38 118.532 118.532 119.417 -0.885 26047 186 1 . 1 1 38 38 SER HA H 38 4.581 4.581 4.765 -0.184 26047 187 1 . 1 1 38 38 SER C C 38 174.967 174.967 174.866 0.101 26047 188 1 . 1 1 38 38 SER CA C 38 57.033 57.033 56.690 0.343 26047 189 1 . 1 1 38 38 SER CB C 38 64.862 64.862 65.398 -0.536 26047 190 1 . 1 1 38 38 SER H H 38 8.196 8.196 8.403 -0.207 26047 191 1 . 1 1 39 39 SER N N 39 124.920 124.920 121.446 3.474 26047 192 1 . 1 1 39 39 SER HA H 39 4.131 4.131 4.381 -0.250 26047 193 1 . 1 1 39 39 SER C C 39 177.101 177.101 176.362 0.739 26047 194 1 . 1 1 39 39 SER CA C 39 61.690 61.690 60.461 1.229 26047 195 1 . 1 1 39 39 SER CB C 39 61.632 61.632 63.252 -1.620 26047 196 1 . 1 1 39 39 SER H H 39 7.872 7.872 8.032 -0.160 26047 197 1 . 1 1 40 40 ARG N N 40 124.309 124.309 120.458 3.851 26047 198 1 . 1 1 40 40 ARG HA H 40 3.607 3.607 4.290 -0.683 26047 199 1 . 1 1 40 40 ARG C C 40 179.844 179.844 178.292 1.552 26047 200 1 . 1 1 40 40 ARG CA C 40 58.859 58.859 58.367 0.492 26047 201 1 . 1 1 40 40 ARG CB C 40 28.763 28.763 29.432 -0.669 26047 202 1 . 1 1 40 40 ARG H H 40 7.617 7.617 7.744 -0.127 26047 203 1 . 1 1 41 41 ASP N N 41 118.394 118.394 120.419 -2.025 26047 204 1 . 1 1 41 41 ASP HA H 41 4.314 4.314 4.456 -0.142 26047 205 1 . 1 1 41 41 ASP C C 41 176.750 176.750 177.134 -0.384 26047 206 1 . 1 1 41 41 ASP CA C 41 56.536 56.536 56.736 -0.200 26047 207 1 . 1 1 41 41 ASP CB C 41 40.095 40.095 40.484 -0.389 26047 208 1 . 1 1 41 41 ASP H H 41 7.079 7.079 8.298 -1.219 26047 209 1 . 1 1 42 42 ARG N N 42 115.037 115.037 116.897 -1.859 26047 210 1 . 1 1 42 42 ARG HA H 42 4.431 4.431 4.417 0.014 26047 211 1 . 1 1 42 42 ARG C C 42 175.430 175.430 175.678 -0.248 26047 212 1 . 1 1 42 42 ARG CA C 42 56.099 56.099 55.728 0.371 26047 213 1 . 1 1 42 42 ARG CB C 42 31.577 31.577 30.602 0.975 26047 214 1 . 1 1 42 42 ARG H H 42 6.859 6.859 7.811 -0.952 26047 215 1 . 1 1 49 49 MET N N 49 123.105 123.105 120.456 2.649 26047 216 1 . 1 1 49 49 MET HA H 49 4.681 4.681 4.991 -0.310 26047 217 1 . 1 1 49 49 MET C C 49 176.492 176.492 175.092 1.400 26047 218 1 . 1 1 49 49 MET CA C 49 54.487 54.487 54.495 -0.008 26047 219 1 . 1 1 49 49 MET CB C 49 33.755 33.755 34.868 -1.113 26047 220 1 . 1 1 49 49 MET H H 49 9.261 9.261 8.578 0.683 26047 221 1 . 1 1 50 50 LEU N N 50 131.689 131.689 124.036 7.653 26047 222 1 . 1 1 50 50 LEU HA H 50 4.210 4.210 4.732 -0.522 26047 223 1 . 1 1 50 50 LEU C C 50 177.825 177.825 178.015 -0.190 26047 224 1 . 1 1 50 50 LEU CA C 50 57.249 57.249 54.287 2.962 26047 225 1 . 1 1 50 50 LEU CB C 50 41.752 41.752 41.665 0.087 26047 226 1 . 1 1 50 50 LEU H H 50 8.633 8.633 7.830 0.803 26047 227 1 . 1 1 54 54 GLU N N 54 117.417 117.417 119.476 -2.059 26047 228 1 . 1 1 54 54 GLU HA H 54 4.220 4.220 4.274 -0.054 26047 229 1 . 1 1 54 54 GLU C C 54 176.221 176.221 176.055 0.166 26047 230 1 . 1 1 54 54 GLU CA C 54 57.447 57.447 57.887 -0.440 26047 231 1 . 1 1 54 54 GLU CB C 54 31.200 31.200 30.497 0.703 26047 232 1 . 1 1 54 54 GLU H H 54 9.389 9.389 8.862 0.527 26047 233 1 . 1 1 55 55 VAL N N 55 108.426 108.426 113.693 -5.267 26047 234 1 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.226 0.088 26047 235 1 . 1 1 55 55 VAL C C 55 175.226 175.226 174.900 0.326 26047 236 1 . 1 1 55 55 VAL CA C 55 57.461 57.461 59.621 -2.160 26047 237 1 . 1 1 55 55 VAL CB C 55 35.557 35.557 33.753 1.804 26047 238 1 . 1 1 55 55 VAL H H 55 6.820 6.820 7.305 -0.485 26047 239 1 . 1 1 56 56 ILE N N 56 111.618 111.618 113.696 -2.078 26047 240 1 . 1 1 56 56 ILE HA H 56 3.853 3.853 4.092 -0.239 26047 241 1 . 1 1 56 56 ILE C C 56 177.344 177.344 176.284 1.060 26047 242 1 . 1 1 56 56 ILE CA C 56 61.975 61.975 60.434 1.541 26047 243 1 . 1 1 56 56 ILE CB C 56 38.342 38.342 38.232 0.110 26047 244 1 . 1 1 56 56 ILE H H 56 7.404 7.404 7.410 -0.006 26047 245 1 . 1 1 57 57 ARG N N 57 124.436 124.436 123.657 0.779 26047 246 1 . 1 1 57 57 ARG HA H 57 4.063 4.063 4.020 0.043 26047 247 1 . 1 1 57 57 ARG C C 57 179.428 179.428 178.557 0.871 26047 248 1 . 1 1 57 57 ARG CA C 57 59.838 59.838 59.680 0.158 26047 249 1 . 1 1 57 57 ARG CB C 57 30.630 30.630 30.199 0.431 26047 250 1 . 1 1 57 57 ARG H H 57 8.631 8.631 8.439 0.192 26047 251 1 . 1 1 58 58 GLY N N 58 107.151 107.151 105.055 2.096 26047 252 1 . 1 1 58 58 GLY C C 58 175.210 175.210 175.453 -0.243 26047 253 1 . 1 1 58 58 GLY CA C 58 47.621 47.621 46.670 0.951 26047 254 1 . 1 1 58 58 GLY H H 58 9.688 9.688 7.979 1.709 26047 255 1 . 1 1 59 59 TRP N N 59 119.956 119.956 121.457 -1.501 26047 256 1 . 1 1 59 59 TRP HA H 59 4.227 4.227 4.523 -0.296 26047 257 1 . 1 1 59 59 TRP C C 59 177.529 177.529 178.612 -1.083 26047 258 1 . 1 1 59 59 TRP CA C 59 59.681 59.681 58.633 1.048 26047 259 1 . 1 1 59 59 TRP CB C 59 29.092 29.092 29.386 -0.294 26047 260 1 . 1 1 59 59 TRP H H 59 7.534 7.534 7.497 0.037 26047 261 1 . 1 1 60 60 GLU N N 60 118.374 118.374 118.990 -0.616 26047 262 1 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.206 -0.316 26047 263 1 . 1 1 60 60 GLU C C 60 178.377 178.377 179.326 -0.949 26047 264 1 . 1 1 60 60 GLU CA C 60 61.081 61.081 59.966 1.116 26047 265 1 . 1 1 60 60 GLU CB C 60 29.417 29.417 29.504 -0.087 26047 266 1 . 1 1 60 60 GLU H H 60 7.275 7.275 7.996 -0.721 26047 267 1 . 1 1 61 61 GLU N N 61 113.896 113.896 117.582 -3.686 26047 268 1 . 1 1 61 61 GLU HA H 61 4.149 4.149 4.355 -0.206 26047 269 1 . 1 1 61 61 GLU C C 61 179.320 179.320 178.278 1.042 26047 270 1 . 1 1 61 61 GLU CA C 61 58.633 58.633 57.981 0.652 26047 271 1 . 1 1 61 61 GLU CB C 61 29.872 29.872 29.791 0.081 26047 272 1 . 1 1 61 61 GLU H H 61 8.390 8.390 8.180 0.210 26047 273 1 . 1 1 62 62 GLY N N 62 106.899 106.899 108.172 -1.273 26047 274 1 . 1 1 62 62 GLY C C 62 174.585 174.585 176.248 -1.663 26047 275 1 . 1 1 62 62 GLY CA C 62 47.194 47.194 46.178 1.016 26047 276 1 . 1 1 62 62 GLY H H 62 7.932 7.932 7.709 0.223 26047 277 1 . 1 1 63 63 VAL N N 63 120.730 120.730 122.546 -1.816 26047 278 1 . 1 1 63 63 VAL HA H 63 3.927 3.927 3.864 0.063 26047 279 1 . 1 1 63 63 VAL C C 63 177.334 177.334 177.384 -0.050 26047 280 1 . 1 1 63 63 VAL CA C 63 65.419 65.419 64.934 0.485 26047 281 1 . 1 1 63 63 VAL CB C 63 31.126 31.126 31.646 -0.520 26047 282 1 . 1 1 63 63 VAL H H 63 8.688 8.688 8.600 0.088 26047 283 1 . 1 1 64 64 ALA N N 64 117.132 117.132 120.450 -3.318 26047 284 1 . 1 1 64 64 ALA HA H 64 4.014 4.014 4.314 -0.300 26047 285 1 . 1 1 64 64 ALA C C 64 177.759 177.759 178.141 -0.382 26047 286 1 . 1 1 64 64 ALA CA C 64 54.526 54.526 53.827 0.699 26047 287 1 . 1 1 64 64 ALA CB C 64 18.715 18.715 18.577 0.138 26047 288 1 . 1 1 64 64 ALA H H 64 7.160 7.160 8.127 -0.967 26047 289 1 . 1 1 65 65 GLN N N 65 112.231 112.231 116.259 -4.028 26047 290 1 . 1 1 65 65 GLN HA H 65 4.359 4.359 4.379 -0.020 26047 291 1 . 1 1 65 65 GLN C C 65 175.568 175.568 175.859 -0.291 26047 292 1 . 1 1 65 65 GLN CA C 65 55.459 55.459 56.013 -0.554 26047 293 1 . 1 1 65 65 GLN CB C 65 30.028 30.028 29.552 0.476 26047 294 1 . 1 1 65 65 GLN H H 65 7.143 7.143 7.846 -0.703 26047 295 1 . 1 1 66 66 MET N N 66 122.412 122.412 118.274 4.138 26047 296 1 . 1 1 66 66 MET HA H 66 4.788 4.788 4.804 -0.016 26047 297 1 . 1 1 66 66 MET C C 66 172.467 172.467 174.969 -2.502 26047 298 1 . 1 1 66 66 MET CA C 66 55.118 55.118 54.285 0.833 26047 299 1 . 1 1 66 66 MET CB C 66 35.667 35.667 35.020 0.647 26047 300 1 . 1 1 66 66 MET H H 66 7.965 7.965 7.499 0.466 26047 301 1 . 1 1 67 67 SER N N 67 107.611 107.611 114.130 -6.519 26047 302 1 . 1 1 67 67 SER HA H 67 4.833 4.833 4.455 0.378 26047 303 1 . 1 1 67 67 SER C C 67 176.275 176.275 174.487 1.788 26047 304 1 . 1 1 67 67 SER CA C 67 54.465 54.465 55.910 -1.445 26047 305 1 . 1 1 67 67 SER CB C 67 65.982 65.982 65.013 0.969 26047 306 1 . 1 1 67 67 SER H H 67 8.182 8.182 8.104 0.077 26047 307 1 . 1 1 68 68 VAL N N 68 119.266 119.266 121.202 -1.936 26047 308 1 . 1 1 68 68 VAL HA H 68 3.105 3.105 3.566 -0.461 26047 309 1 . 1 1 68 68 VAL C C 68 176.390 176.390 176.702 -0.312 26047 310 1 . 1 1 68 68 VAL CA C 68 67.074 67.074 65.076 1.998 26047 311 1 . 1 1 68 68 VAL CB C 68 31.503 31.503 30.451 1.052 26047 312 1 . 1 1 68 68 VAL H H 68 7.650 7.650 8.302 -0.652 26047 313 1 . 1 1 69 69 GLY N N 69 116.900 116.900 114.349 2.551 26047 314 1 . 1 1 69 69 GLY C C 69 173.934 173.934 173.763 0.171 26047 315 1 . 1 1 69 69 GLY CA C 69 44.407 44.407 44.946 -0.539 26047 316 1 . 1 1 69 69 GLY H H 69 8.855 8.855 8.718 0.137 26047 317 1 . 1 1 70 70 GLN N N 70 123.210 123.210 120.655 2.555 26047 318 1 . 1 1 70 70 GLN HA H 70 4.035 4.035 4.766 -0.731 26047 319 1 . 1 1 70 70 GLN C C 70 173.663 173.663 174.420 -0.757 26047 320 1 . 1 1 70 70 GLN CA C 70 55.788 55.788 54.772 1.016 26047 321 1 . 1 1 70 70 GLN CB C 70 30.551 30.551 31.438 -0.887 26047 322 1 . 1 1 70 70 GLN H H 70 8.607 8.607 7.948 0.659 26047 323 1 . 1 1 71 71 ARG N N 71 124.586 124.586 125.945 -1.359 26047 324 1 . 1 1 71 71 ARG HA H 71 5.660 5.660 4.861 0.799 26047 325 1 . 1 1 71 71 ARG C C 71 175.582 175.582 173.979 1.603 26047 326 1 . 1 1 71 71 ARG CA C 71 53.936 53.936 54.699 -0.763 26047 327 1 . 1 1 71 71 ARG CB C 71 33.739 33.739 32.596 1.143 26047 328 1 . 1 1 71 71 ARG H H 71 8.802 8.802 8.676 0.126 26047 329 1 . 1 1 75 75 THR N N 75 121.856 121.856 121.142 0.714 26047 330 1 . 1 1 75 75 THR HA H 75 5.052 5.052 4.747 0.305 26047 331 1 . 1 1 75 75 THR C C 75 175.079 175.079 173.599 1.480 26047 332 1 . 1 1 75 75 THR CA C 75 63.355 63.355 62.662 0.693 26047 333 1 . 1 1 75 75 THR CB C 75 68.790 68.790 69.298 -0.508 26047 334 1 . 1 1 75 75 THR H H 75 8.884 8.884 8.777 0.107 26047 335 1 . 1 1 76 76 ILE N N 76 129.859 129.859 128.237 1.621 26047 336 1 . 1 1 76 76 ILE HA H 76 4.680 4.680 4.648 0.032 26047 337 1 . 1 1 76 76 ILE C C 76 173.943 173.943 175.462 -1.519 26047 338 1 . 1 1 76 76 ILE CA C 76 60.898 60.898 58.482 2.416 26047 339 1 . 1 1 76 76 ILE CB C 76 41.236 41.236 39.420 1.816 26047 340 1 . 1 1 76 76 ILE H H 76 9.864 9.864 8.719 1.145 26047 341 1 . 1 1 77 77 SER N N 77 123.243 123.243 120.628 2.615 26047 342 1 . 1 1 77 77 SER HA H 77 4.732 4.732 5.098 -0.367 26047 343 1 . 1 1 77 77 SER C C 77 173.647 173.647 174.134 -0.487 26047 344 1 . 1 1 77 77 SER CA C 77 57.726 57.726 55.420 2.306 26047 345 1 . 1 1 77 77 SER CB C 77 62.763 62.763 63.590 -0.827 26047 346 1 . 1 1 77 77 SER H H 77 8.612 8.612 8.537 0.075 26047 347 1 . 1 1 78 78 PRO HA H 78 4.488 4.488 4.396 0.092 26047 348 1 . 1 1 78 78 PRO C C 78 180.133 180.133 177.161 2.972 26047 349 1 . 1 1 78 78 PRO CA C 78 65.828 65.828 65.071 0.757 26047 350 1 . 1 1 78 78 PRO CB C 78 30.995 30.995 32.098 -1.103 26047 351 1 . 1 1 79 79 ASP N N 79 115.934 115.934 115.860 0.074 26047 352 1 . 1 1 79 79 ASP HA H 79 4.390 4.390 4.568 -0.178 26047 353 1 . 1 1 79 79 ASP C C 79 176.810 176.810 177.256 -0.446 26047 354 1 . 1 1 79 79 ASP CA C 79 56.159 56.159 56.374 -0.215 26047 355 1 . 1 1 79 79 ASP CB C 79 39.361 39.361 41.019 -1.658 26047 356 1 . 1 1 79 79 ASP H H 79 8.799 8.799 8.697 0.102 26047 357 1 . 1 1 80 80 TYR N N 80 120.969 120.969 118.715 2.254 26047 358 1 . 1 1 80 80 TYR HA H 80 4.377 4.377 4.477 -0.100 26047 359 1 . 1 1 80 80 TYR C C 80 173.332 173.332 176.032 -2.700 26047 360 1 . 1 1 80 80 TYR CA C 80 57.597 57.597 59.508 -1.911 26047 361 1 . 1 1 80 80 TYR CB C 80 38.903 38.903 39.900 -0.997 26047 362 1 . 1 1 80 80 TYR H H 80 8.116 8.116 7.749 0.367 26047 363 1 . 1 1 81 81 ALA N N 81 125.669 125.669 122.626 3.043 26047 364 1 . 1 1 81 81 ALA HA H 81 4.421 4.421 4.017 0.404 26047 365 1 . 1 1 81 81 ALA C C 81 175.888 175.888 177.313 -1.426 26047 366 1 . 1 1 81 81 ALA CA C 81 51.701 51.701 54.375 -2.674 26047 367 1 . 1 1 81 81 ALA CB C 81 19.334 19.334 19.071 0.263 26047 368 1 . 1 1 81 81 ALA H H 81 7.801 7.801 8.375 -0.574 26047 369 1 . 1 1 82 82 TYR N N 82 122.080 122.080 115.153 6.927 26047 370 1 . 1 1 82 82 TYR HA H 82 4.566 4.566 4.550 0.016 26047 371 1 . 1 1 82 82 TYR C C 82 176.653 176.653 176.456 0.197 26047 372 1 . 1 1 82 82 TYR CA C 82 58.865 58.865 58.472 0.393 26047 373 1 . 1 1 82 82 TYR CB C 82 37.995 37.995 41.544 -3.549 26047 374 1 . 1 1 82 82 TYR H H 82 9.321 9.321 7.649 1.672 26047 375 1 . 1 1 83 83 GLY N N 83 108.394 108.394 106.513 1.881 26047 376 1 . 1 1 83 83 GLY C C 83 175.214 175.214 172.897 2.317 26047 377 1 . 1 1 83 83 GLY CA C 83 46.827 46.827 45.242 1.585 26047 378 1 . 1 1 83 83 GLY H H 83 8.535 8.535 7.923 0.612 26047 379 1 . 1 1 84 84 ALA HA H 84 3.273 3.273 4.240 -0.967 26047 380 1 . 1 1 84 84 ALA C C 84 177.536 177.536 177.766 -0.230 26047 381 1 . 1 1 84 84 ALA CA C 84 53.514 53.514 53.673 -0.159 26047 382 1 . 1 1 84 84 ALA CB C 84 19.318 19.318 18.970 0.348 26047 383 1 . 1 1 85 85 THR N N 85 109.341 109.341 113.395 -4.054 26047 384 1 . 1 1 85 85 THR HA H 85 4.038 4.038 4.223 -0.185 26047 385 1 . 1 1 85 85 THR C C 85 177.149 177.149 175.221 1.928 26047 386 1 . 1 1 85 85 THR CA C 85 64.040 64.040 62.306 1.734 26047 387 1 . 1 1 85 85 THR CB C 85 69.466 69.466 69.640 -0.174 26047 388 1 . 1 1 85 85 THR H H 85 7.927 7.927 7.943 -0.016 26047 389 1 . 1 1 86 86 GLY N N 86 106.961 106.961 109.087 -2.126 26047 390 1 . 1 1 86 86 GLY C C 86 171.567 171.567 172.999 -1.432 26047 391 1 . 1 1 86 86 GLY CA C 86 45.151 45.151 44.580 0.571 26047 392 1 . 1 1 86 86 GLY H H 86 7.341 7.341 7.703 -0.362 26047 393 1 . 1 1 87 87 HIS N N 87 121.870 121.870 120.399 1.471 26047 394 1 . 1 1 87 87 HIS HA H 87 4.967 4.967 4.655 0.312 26047 395 1 . 1 1 87 87 HIS C C 87 172.750 172.750 173.664 -0.914 26047 396 1 . 1 1 87 87 HIS CA C 87 53.029 53.029 52.629 0.400 26047 397 1 . 1 1 87 87 HIS CB C 87 32.349 32.349 30.619 1.730 26047 398 1 . 1 1 87 87 HIS H H 87 8.799 8.799 8.016 0.783 26047 399 1 . 1 1 88 88 PRO HA H 88 4.132 4.132 4.298 -0.166 26047 400 1 . 1 1 88 88 PRO C C 88 176.585 176.585 177.416 -0.831 26047 401 1 . 1 1 88 88 PRO CA C 88 65.123 65.123 63.678 1.445 26047 402 1 . 1 1 88 88 PRO CB C 88 31.851 31.851 31.716 0.135 26047 403 1 . 1 1 89 89 GLY N N 89 113.445 113.445 113.244 0.201 26047 404 1 . 1 1 89 89 GLY C C 89 174.030 174.030 174.719 -0.689 26047 405 1 . 1 1 89 89 GLY CA C 89 45.251 45.251 45.138 0.113 26047 406 1 . 1 1 89 89 GLY H H 89 8.571 8.571 8.697 -0.126 26047 407 1 . 1 1 90 90 ILE N N 90 118.128 118.128 121.107 -2.979 26047 408 1 . 1 1 90 90 ILE HA H 90 4.252 4.252 4.217 0.035 26047 409 1 . 1 1 90 90 ILE C C 90 174.403 174.403 175.916 -1.513 26047 410 1 . 1 1 90 90 ILE CA C 90 62.855 62.855 62.540 0.315 26047 411 1 . 1 1 90 90 ILE CB C 90 41.565 41.565 39.028 2.537 26047 412 1 . 1 1 90 90 ILE H H 90 8.103 8.103 7.619 0.484 26047 413 1 . 1 1 91 91 ILE N N 91 119.444 119.444 120.302 -0.858 26047 414 1 . 1 1 91 91 ILE HA H 91 4.506 4.506 4.330 0.176 26047 415 1 . 1 1 91 91 ILE C C 91 174.345 174.345 173.852 0.493 26047 416 1 . 1 1 91 91 ILE CA C 91 56.335 56.335 56.982 -0.647 26047 417 1 . 1 1 91 91 ILE CB C 91 40.719 40.719 36.692 4.027 26047 418 1 . 1 1 91 91 ILE H H 91 8.241 8.241 7.556 0.685 26047 419 1 . 1 1 92 92 PRO HA H 92 4.717 4.717 4.679 0.038 26047 420 1 . 1 1 92 92 PRO CB C 92 31.011 31.011 31.339 -0.328 26047 421 1 . 1 1 93 93 PRO HA H 93 3.617 3.617 4.321 -0.704 26047 422 1 . 1 1 93 93 PRO C C 93 175.714 175.714 176.862 -1.148 26047 423 1 . 1 1 93 93 PRO CA C 93 63.618 63.618 63.138 0.480 26047 424 1 . 1 1 93 93 PRO CB C 93 33.171 33.171 32.403 0.768 26047 425 1 . 1 1 94 94 HIS N N 94 115.851 115.851 116.125 -0.274 26047 426 1 . 1 1 94 94 HIS HA H 94 3.804 3.804 4.185 -0.381 26047 427 1 . 1 1 94 94 HIS C C 94 173.821 173.821 173.792 0.030 26047 428 1 . 1 1 94 94 HIS CA C 94 57.145 57.145 57.416 -0.271 26047 429 1 . 1 1 94 94 HIS CB C 94 27.977 27.977 27.866 0.111 26047 430 1 . 1 1 94 94 HIS H H 94 7.934 7.934 8.434 -0.500 26047 431 1 . 1 1 95 95 ALA N N 95 122.072 122.072 120.867 1.205 26047 432 1 . 1 1 95 95 ALA HA H 95 4.459 4.459 4.656 -0.197 26047 433 1 . 1 1 95 95 ALA C C 95 177.246 177.246 175.607 1.639 26047 434 1 . 1 1 95 95 ALA CA C 95 52.728 52.728 50.873 1.855 26047 435 1 . 1 1 95 95 ALA CB C 95 20.567 20.567 21.817 -1.250 26047 436 1 . 1 1 95 95 ALA H H 95 7.706 7.706 7.744 -0.038 26047 437 1 . 1 1 96 96 THR N N 96 122.875 122.875 119.292 3.583 26047 438 1 . 1 1 96 96 THR HA H 96 4.650 4.650 4.444 0.206 26047 439 1 . 1 1 96 96 THR C C 96 173.818 173.818 173.865 -0.047 26047 440 1 . 1 1 96 96 THR CA C 96 63.778 63.778 63.454 0.324 26047 441 1 . 1 1 96 96 THR CB C 96 69.588 69.588 69.709 -0.121 26047 442 1 . 1 1 96 96 THR H H 96 8.448 8.448 8.242 0.206 26047 443 1 . 1 1 97 97 LEU N N 97 124.809 124.809 124.955 -0.146 26047 444 1 . 1 1 97 97 LEU HA H 97 5.110 5.110 4.716 0.394 26047 445 1 . 1 1 97 97 LEU C C 97 175.041 175.041 175.356 -0.315 26047 446 1 . 1 1 97 97 LEU CA C 97 52.832 52.832 53.977 -1.145 26047 447 1 . 1 1 97 97 LEU CB C 97 46.391 46.391 45.384 1.007 26047 448 1 . 1 1 97 97 LEU H H 97 8.725 8.725 9.049 -0.324 26047 449 1 . 1 1 98 98 VAL N N 98 121.081 121.081 118.890 2.191 26047 450 1 . 1 1 98 98 VAL HA H 98 5.215 5.215 4.534 0.681 26047 451 1 . 1 1 98 98 VAL C C 98 175.150 175.150 174.468 0.682 26047 452 1 . 1 1 98 98 VAL CA C 98 60.662 60.662 61.502 -0.840 26047 453 1 . 1 1 98 98 VAL CB C 98 34.355 34.355 33.893 0.462 26047 454 1 . 1 1 98 98 VAL H H 98 8.692 8.692 8.581 0.111 26047 455 1 . 1 1 99 99 PHE N N 99 123.638 123.638 125.863 -2.225 26047 456 1 . 1 1 99 99 PHE HA H 99 5.754 5.754 5.634 0.120 26047 457 1 . 1 1 99 99 PHE C C 99 174.328 174.328 174.108 0.221 26047 458 1 . 1 1 99 99 PHE CA C 99 55.196 55.196 56.417 -1.221 26047 459 1 . 1 1 99 99 PHE CB C 99 43.396 43.396 43.601 -0.205 26047 460 1 . 1 1 99 99 PHE H H 99 9.724 9.724 9.297 0.427 26047 461 1 . 1 1 100 100 ASP N N 100 124.358 124.358 124.517 -0.159 26047 462 1 . 1 1 100 100 ASP HA H 100 5.164 5.164 5.057 0.107 26047 463 1 . 1 1 100 100 ASP C C 100 176.946 176.946 175.380 1.566 26047 464 1 . 1 1 100 100 ASP CA C 100 52.778 52.778 53.215 -0.437 26047 465 1 . 1 1 100 100 ASP CB C 100 42.320 42.320 43.280 -0.960 26047 466 1 . 1 1 100 100 ASP H H 100 8.775 8.775 8.572 0.203 26047 467 1 . 1 1 101 101 VAL N N 101 126.428 126.428 120.534 5.894 26047 468 1 . 1 1 101 101 VAL HA H 101 5.057 5.057 5.468 -0.411 26047 469 1 . 1 1 101 101 VAL C C 101 172.620 172.620 174.076 -1.456 26047 470 1 . 1 1 101 101 VAL CA C 101 61.041 61.041 59.048 1.993 26047 471 1 . 1 1 101 101 VAL CB C 101 35.481 35.481 34.507 0.974 26047 472 1 . 1 1 101 101 VAL H H 101 9.513 9.513 7.719 1.794 26047 473 1 . 1 1 102 102 GLU N N 102 128.393 128.393 120.735 7.658 26047 474 1 . 1 1 102 102 GLU HA H 102 5.392 5.392 4.912 0.480 26047 475 1 . 1 1 102 102 GLU C C 102 175.174 175.174 175.092 0.083 26047 476 1 . 1 1 102 102 GLU CA C 102 53.979 53.979 53.821 0.158 26047 477 1 . 1 1 102 102 GLU CB C 102 33.852 33.852 32.661 1.191 26047 478 1 . 1 1 102 102 GLU H H 102 9.285 9.285 8.171 1.114 26047 479 1 . 1 1 103 103 LEU N N 103 128.290 128.290 125.889 2.401 26047 480 1 . 1 1 103 103 LEU HA H 103 4.671 4.671 4.308 0.363 26047 481 1 . 1 1 103 103 LEU C C 103 174.266 174.266 175.870 -1.604 26047 482 1 . 1 1 103 103 LEU CA C 103 54.356 54.356 54.814 -0.458 26047 483 1 . 1 1 103 103 LEU CB C 103 41.465 41.465 40.809 0.656 26047 484 1 . 1 1 103 103 LEU H H 103 8.613 8.613 8.757 -0.144 26047 stop_ save_