data_19178 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19178 _Entry.PDB_ID 2M7A 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 19178 _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 16 16 GLN HA H 16 4.330 4.330 4.270 0.060 19178 2 1 1 . 1 1 17 17 GLU N N 17 119.126 119.126 119.369 -0.243 19178 3 1 1 . 1 1 17 17 GLU HA H 17 4.329 4.329 4.217 0.112 19178 4 1 1 . 1 1 17 17 GLU H H 17 8.422 8.422 8.643 -0.221 19178 5 1 1 . 1 1 18 18 GLN N N 18 120.450 120.450 117.190 3.260 19178 6 1 1 . 1 1 18 18 GLN HA H 18 4.081 4.081 4.212 -0.131 19178 7 1 1 . 1 1 18 18 GLN H H 18 8.729 8.729 8.622 0.107 19178 8 1 1 . 1 1 19 19 TRP N N 19 121.902 121.902 122.226 -0.324 19178 9 1 1 . 1 1 19 19 TRP HA H 19 4.125 4.125 4.300 -0.175 19178 10 1 1 . 1 1 19 19 TRP C C 19 179.400 179.400 178.210 1.190 19178 11 1 1 . 1 1 19 19 TRP CA C 19 62.361 62.361 60.771 1.590 19178 12 1 1 . 1 1 19 19 TRP CB C 19 29.938 29.938 29.209 0.729 19178 13 1 1 . 1 1 19 19 TRP H H 19 8.561 8.561 8.282 0.279 19178 14 1 1 . 1 1 20 20 ALA N N 20 122.759 122.759 123.357 -0.598 19178 15 1 1 . 1 1 20 20 ALA HA H 20 3.815 3.815 3.431 0.384 19178 16 1 1 . 1 1 20 20 ALA C C 20 180.433 180.433 178.797 1.636 19178 17 1 1 . 1 1 20 20 ALA CA C 20 55.619 55.619 54.961 0.658 19178 18 1 1 . 1 1 20 20 ALA CB C 20 18.474 18.474 17.893 0.581 19178 19 1 1 . 1 1 20 20 ALA H H 20 8.828 8.828 7.955 0.873 19178 20 1 1 . 1 1 21 21 MET N N 21 117.474 117.474 116.292 1.182 19178 21 1 1 . 1 1 21 21 MET HA H 21 4.479 4.479 3.875 0.604 19178 22 1 1 . 1 1 21 21 MET C C 21 178.744 178.744 178.514 0.230 19178 23 1 1 . 1 1 21 21 MET CA C 21 56.778 56.778 58.669 -1.891 19178 24 1 1 . 1 1 21 21 MET CB C 21 29.956 29.956 31.999 -2.043 19178 25 1 1 . 1 1 21 21 MET H H 21 8.702 8.702 7.619 1.083 19178 26 1 1 . 1 1 22 22 GLN N N 22 119.738 119.738 119.288 0.450 19178 27 1 1 . 1 1 22 22 GLN HA H 22 4.025 4.025 3.764 0.261 19178 28 1 1 . 1 1 22 22 GLN C C 22 180.104 180.104 177.764 2.340 19178 29 1 1 . 1 1 22 22 GLN CA C 22 58.872 58.872 59.273 -0.401 19178 30 1 1 . 1 1 22 22 GLN CB C 22 27.880 27.880 28.149 -0.270 19178 31 1 1 . 1 1 22 22 GLN H H 22 8.531 8.531 7.808 0.723 19178 32 1 1 . 1 1 23 23 THR N N 23 117.049 117.049 115.286 1.763 19178 33 1 1 . 1 1 23 23 THR HA H 23 3.715 3.715 3.921 -0.206 19178 34 1 1 . 1 1 23 23 THR C C 23 177.477 177.477 176.647 0.830 19178 35 1 1 . 1 1 23 23 THR CA C 23 66.380 66.380 65.821 0.559 19178 36 1 1 . 1 1 23 23 THR CB C 23 67.579 67.579 68.519 -0.939 19178 37 1 1 . 1 1 23 23 THR H H 23 7.752 7.752 7.377 0.375 19178 38 1 1 . 1 1 24 24 LEU N N 24 125.735 125.735 122.117 3.618 19178 39 1 1 . 1 1 24 24 LEU HA H 24 3.731 3.731 3.810 -0.079 19178 40 1 1 . 1 1 24 24 LEU C C 24 178.544 178.544 179.587 -1.043 19178 41 1 1 . 1 1 24 24 LEU CA C 24 58.882 58.882 58.279 0.603 19178 42 1 1 . 1 1 24 24 LEU CB C 24 41.550 41.550 41.830 -0.280 19178 43 1 1 . 1 1 24 24 LEU H H 24 7.886 7.886 7.779 0.107 19178 44 1 1 . 1 1 25 25 MET N N 25 118.622 118.622 116.945 1.677 19178 45 1 1 . 1 1 25 25 MET HA H 25 4.717 4.717 4.449 0.268 19178 46 1 1 . 1 1 25 25 MET C C 25 181.465 181.465 178.110 3.355 19178 47 1 1 . 1 1 25 25 MET CA C 25 55.604 55.604 58.240 -2.636 19178 48 1 1 . 1 1 25 25 MET CB C 25 32.071 32.071 32.685 -0.614 19178 49 1 1 . 1 1 25 25 MET H H 25 8.619 8.619 8.342 0.277 19178 50 1 1 . 1 1 26 26 GLY N N 26 110.755 110.755 107.618 3.137 19178 51 1 1 . 1 1 26 26 GLY C C 26 174.662 174.662 175.756 -1.094 19178 52 1 1 . 1 1 26 26 GLY CA C 26 46.788 46.788 46.221 0.567 19178 53 1 1 . 1 1 26 26 GLY H H 26 8.953 8.953 8.025 0.928 19178 54 1 1 . 1 1 27 27 SER N N 27 109.977 109.977 116.424 -6.447 19178 55 1 1 . 1 1 27 27 SER HA H 27 4.422 4.422 4.256 0.166 19178 56 1 1 . 1 1 27 27 SER C C 27 175.612 175.612 175.855 -0.243 19178 57 1 1 . 1 1 27 27 SER CA C 27 58.309 58.309 59.224 -0.915 19178 58 1 1 . 1 1 27 27 SER CB C 27 64.423 64.423 63.251 1.172 19178 59 1 1 . 1 1 27 27 SER H H 27 7.335 7.335 7.643 -0.308 19178 60 1 1 . 1 1 28 28 GLY N N 28 110.105 110.105 109.655 0.450 19178 61 1 1 . 1 1 28 28 GLY C C 28 174.029 174.029 175.115 -1.086 19178 62 1 1 . 1 1 28 28 GLY CA C 28 45.371 45.371 45.681 -0.310 19178 63 1 1 . 1 1 28 28 GLY H H 28 7.536 7.536 7.911 -0.375 19178 64 1 1 . 1 1 29 29 VAL N N 29 121.444 121.444 119.888 1.556 19178 65 1 1 . 1 1 29 29 VAL HA H 29 4.720 4.720 3.883 0.837 19178 66 1 1 . 1 1 29 29 VAL C C 29 177.149 177.149 175.948 1.201 19178 67 1 1 . 1 1 29 29 VAL CA C 29 66.474 66.474 64.087 2.387 19178 68 1 1 . 1 1 29 29 VAL CB C 29 32.694 32.694 32.275 0.419 19178 69 1 1 . 1 1 29 29 VAL H H 29 7.738 7.738 7.600 0.138 19178 70 1 1 . 1 1 30 30 LEU N N 30 115.594 115.594 116.388 -0.794 19178 71 1 1 . 1 1 30 30 LEU HA H 30 5.349 5.349 4.261 1.088 19178 72 1 1 . 1 1 30 30 LEU C C 30 174.427 174.427 174.611 -0.184 19178 73 1 1 . 1 1 30 30 LEU CA C 30 52.231 52.231 53.343 -1.113 19178 74 1 1 . 1 1 30 30 LEU CB C 30 43.525 43.525 44.192 -0.667 19178 75 1 1 . 1 1 30 30 LEU H H 30 7.090 7.090 7.132 -0.042 19178 76 1 1 . 1 1 31 31 ALA N N 31 122.020 122.020 121.046 0.974 19178 77 1 1 . 1 1 31 31 ALA HA H 31 4.539 4.539 4.700 -0.161 19178 78 1 1 . 1 1 31 31 ALA C C 31 175.130 175.130 175.377 -0.247 19178 79 1 1 . 1 1 31 31 ALA CA C 31 50.963 50.963 50.985 -0.022 19178 80 1 1 . 1 1 31 31 ALA CB C 31 22.314 22.314 21.130 1.184 19178 81 1 1 . 1 1 31 31 ALA H H 31 8.981 8.981 8.473 0.508 19178 82 1 1 . 1 1 32 32 ARG N N 32 118.606 118.606 120.418 -1.812 19178 83 1 1 . 1 1 32 32 ARG HA H 32 5.342 5.342 4.586 0.756 19178 84 1 1 . 1 1 32 32 ARG C C 32 178.051 178.051 174.797 3.254 19178 85 1 1 . 1 1 32 32 ARG CA C 32 54.543 54.543 54.111 0.432 19178 86 1 1 . 1 1 32 32 ARG CB C 32 31.485 31.485 32.519 -1.034 19178 87 1 1 . 1 1 32 32 ARG H H 32 8.223 8.223 8.131 0.092 19178 88 1 1 . 1 1 33 33 CYS N N 33 125.750 125.750 121.119 4.631 19178 89 1 1 . 1 1 33 33 CYS HA H 33 4.117 4.117 4.538 -0.421 19178 90 1 1 . 1 1 33 33 CYS C C 33 175.978 175.978 176.387 -0.409 19178 91 1 1 . 1 1 33 33 CYS CA C 33 60.620 60.620 58.353 2.267 19178 92 1 1 . 1 1 33 33 CYS CB C 33 27.213 27.213 29.016 -1.803 19178 93 1 1 . 1 1 33 33 CYS H H 33 8.314 8.314 8.436 -0.122 19178 94 1 1 . 1 1 34 34 ARG N N 34 128.053 128.053 127.493 0.560 19178 95 1 1 . 1 1 34 34 ARG HA H 34 3.926 3.926 4.128 -0.202 19178 96 1 1 . 1 1 34 34 ARG C C 34 176.565 176.565 176.386 0.179 19178 97 1 1 . 1 1 34 34 ARG CA C 34 58.719 58.719 58.498 0.221 19178 98 1 1 . 1 1 34 34 ARG CB C 34 30.159 30.159 30.166 -0.007 19178 99 1 1 . 1 1 34 34 ARG H H 34 8.578 8.578 8.736 -0.158 19178 100 1 1 . 1 1 35 35 ILE N N 35 122.502 122.502 115.596 6.906 19178 101 1 1 . 1 1 35 35 ILE HA H 35 3.843 3.843 3.984 -0.141 19178 102 1 1 . 1 1 35 35 ILE C C 35 176.028 176.028 175.492 0.536 19178 103 1 1 . 1 1 35 35 ILE CA C 35 62.035 62.035 61.051 0.984 19178 104 1 1 . 1 1 35 35 ILE CB C 35 39.125 39.125 38.566 0.560 19178 105 1 1 . 1 1 35 35 ILE H H 35 8.932 8.932 7.005 1.927 19178 106 1 1 . 1 1 36 36 HIS N N 36 121.974 121.974 119.195 2.779 19178 107 1 1 . 1 1 36 36 HIS HA H 36 4.569 4.569 4.820 -0.251 19178 108 1 1 . 1 1 36 36 HIS CB C 36 31.187 31.187 29.578 1.609 19178 109 1 1 . 1 1 36 36 HIS H H 36 8.078 8.078 7.454 0.624 19178 110 1 1 . 1 1 37 37 ASN N N 37 119.433 119.433 120.052 -0.619 19178 111 1 1 . 1 1 37 37 ASN HA H 37 4.399 4.399 4.707 -0.308 19178 112 1 1 . 1 1 37 37 ASN C C 37 173.906 173.906 174.881 -0.975 19178 113 1 1 . 1 1 37 37 ASN CA C 37 56.407 56.407 54.032 2.375 19178 114 1 1 . 1 1 37 37 ASN CB C 37 39.331 39.331 39.493 -0.162 19178 115 1 1 . 1 1 37 37 ASN H H 37 8.386 8.386 8.615 -0.229 19178 116 1 1 . 1 1 38 38 ASP N N 38 112.673 112.673 117.933 -5.260 19178 117 1 1 . 1 1 38 38 ASP HA H 38 4.385 4.385 4.751 -0.366 19178 118 1 1 . 1 1 38 38 ASP C C 38 175.841 175.841 174.761 1.080 19178 119 1 1 . 1 1 38 38 ASP CA C 38 53.983 53.983 53.223 0.760 19178 120 1 1 . 1 1 38 38 ASP CB C 38 40.263 40.263 40.886 -0.623 19178 121 1 1 . 1 1 38 38 ASP H H 38 8.880 8.880 8.393 0.487 19178 122 1 1 . 1 1 39 39 VAL N N 39 124.385 124.385 118.462 5.923 19178 123 1 1 . 1 1 39 39 VAL HA H 39 3.944 3.944 4.195 -0.251 19178 124 1 1 . 1 1 39 39 VAL C C 39 173.731 173.731 174.298 -0.567 19178 125 1 1 . 1 1 39 39 VAL CA C 39 63.514 63.514 60.526 2.988 19178 126 1 1 . 1 1 39 39 VAL CB C 39 32.408 32.408 34.993 -2.585 19178 127 1 1 . 1 1 39 39 VAL H H 39 8.253 8.253 7.158 1.095 19178 128 1 1 . 1 1 40 40 ILE N N 40 128.130 128.130 125.082 3.048 19178 129 1 1 . 1 1 40 40 ILE HA H 40 4.222 4.222 4.101 0.121 19178 130 1 1 . 1 1 40 40 ILE C C 40 174.090 174.090 173.815 0.275 19178 131 1 1 . 1 1 40 40 ILE CA C 40 60.635 60.635 59.498 1.137 19178 132 1 1 . 1 1 40 40 ILE CB C 40 38.281 38.281 39.316 -1.035 19178 133 1 1 . 1 1 40 40 ILE H H 40 7.836 7.836 7.415 0.421 19178 134 1 1 . 1 1 41 41 LEU N N 41 124.924 124.924 128.535 -3.611 19178 135 1 1 . 1 1 41 41 LEU HA H 41 4.884 4.884 4.674 0.210 19178 136 1 1 . 1 1 41 41 LEU C C 41 175.989 175.989 175.694 0.295 19178 137 1 1 . 1 1 41 41 LEU CA C 41 52.654 52.654 53.074 -0.420 19178 138 1 1 . 1 1 41 41 LEU CB C 41 45.122 45.122 44.423 0.699 19178 139 1 1 . 1 1 41 41 LEU H H 41 8.836 8.836 8.686 0.150 19178 140 1 1 . 1 1 42 42 ASP N N 42 119.247 119.247 122.768 -3.521 19178 141 1 1 . 1 1 42 42 ASP HA H 42 4.858 4.858 4.642 0.216 19178 142 1 1 . 1 1 42 42 ASP C C 42 176.128 176.128 175.782 0.346 19178 143 1 1 . 1 1 42 42 ASP CA C 42 53.328 53.328 55.161 -1.833 19178 144 1 1 . 1 1 42 42 ASP CB C 42 41.408 41.408 41.863 -0.455 19178 145 1 1 . 1 1 42 42 ASP H H 42 8.725 8.725 8.398 0.327 19178 146 1 1 . 1 1 43 43 SER N N 43 123.344 123.344 120.098 3.246 19178 147 1 1 . 1 1 43 43 SER HA H 43 4.178 4.178 4.565 -0.387 19178 148 1 1 . 1 1 43 43 SER C C 43 176.291 176.291 175.250 1.041 19178 149 1 1 . 1 1 43 43 SER CA C 43 60.431 60.431 59.058 1.373 19178 150 1 1 . 1 1 43 43 SER CB C 43 64.943 64.943 63.956 0.987 19178 151 1 1 . 1 1 43 43 SER H H 43 8.462 8.462 8.606 -0.144 19178 152 1 1 . 1 1 44 44 GLY N N 44 112.184 112.184 109.512 2.672 19178 153 1 1 . 1 1 44 44 GLY C C 44 174.525 174.525 174.097 0.428 19178 154 1 1 . 1 1 44 44 GLY CA C 44 45.368 45.368 45.023 0.345 19178 155 1 1 . 1 1 44 44 GLY H H 44 9.230 9.230 8.712 0.518 19178 156 1 1 . 1 1 45 45 ASN N N 45 119.774 119.774 118.032 1.742 19178 157 1 1 . 1 1 45 45 ASN HA H 45 4.681 4.681 4.813 -0.132 19178 158 1 1 . 1 1 45 45 ASN C C 45 174.866 174.866 174.483 0.383 19178 159 1 1 . 1 1 45 45 ASN CA C 45 52.807 52.807 52.328 0.479 19178 160 1 1 . 1 1 45 45 ASN CB C 45 39.241 39.241 40.478 -1.237 19178 161 1 1 . 1 1 45 45 ASN H H 45 8.486 8.486 8.026 0.460 19178 162 1 1 . 1 1 46 46 ASP N N 46 120.223 120.223 119.956 0.267 19178 163 1 1 . 1 1 46 46 ASP HA H 46 4.367 4.367 4.565 -0.198 19178 164 1 1 . 1 1 46 46 ASP C C 46 177.272 177.272 176.374 0.898 19178 165 1 1 . 1 1 46 46 ASP CA C 46 54.869 54.869 55.334 -0.465 19178 166 1 1 . 1 1 46 46 ASP CB C 46 42.461 42.461 40.554 1.907 19178 167 1 1 . 1 1 46 46 ASP H H 46 8.387 8.387 8.666 -0.279 19178 168 1 1 . 1 1 47 47 ALA N N 47 126.587 126.587 130.107 -3.520 19178 169 1 1 . 1 1 47 47 ALA HA H 47 3.741 3.741 4.166 -0.425 19178 170 1 1 . 1 1 47 47 ALA C C 47 177.980 177.980 178.888 -0.908 19178 171 1 1 . 1 1 47 47 ALA CA C 47 53.866 53.866 54.706 -0.840 19178 172 1 1 . 1 1 47 47 ALA CB C 47 16.554 16.554 18.907 -2.353 19178 173 1 1 . 1 1 47 47 ALA H H 47 8.747 8.747 8.532 0.215 19178 174 1 1 . 1 1 48 48 SER N N 48 115.463 115.463 115.756 -0.293 19178 175 1 1 . 1 1 48 48 SER HA H 48 4.203 4.203 4.418 -0.215 19178 176 1 1 . 1 1 48 48 SER CA C 48 61.994 61.994 61.724 0.270 19178 177 1 1 . 1 1 48 48 SER H H 48 8.973 8.973 8.781 0.192 19178 178 1 1 . 1 1 49 49 SER C C 49 176.587 176.587 176.158 0.429 19178 179 1 1 . 1 1 49 49 SER CA C 49 62.279 62.279 61.345 0.934 19178 180 1 1 . 1 1 50 50 ALA N N 50 125.775 125.775 125.575 0.200 19178 181 1 1 . 1 1 50 50 ALA HA H 50 4.076 4.076 4.002 0.074 19178 182 1 1 . 1 1 50 50 ALA C C 50 179.125 179.125 179.763 -0.638 19178 183 1 1 . 1 1 50 50 ALA CA C 50 54.822 54.822 54.714 0.108 19178 184 1 1 . 1 1 50 50 ALA CB C 50 18.834 18.834 18.245 0.589 19178 185 1 1 . 1 1 50 50 ALA H H 50 7.620 7.620 7.426 0.194 19178 186 1 1 . 1 1 51 51 TYR N N 51 117.562 117.562 118.383 -0.821 19178 187 1 1 . 1 1 51 51 TYR HA H 51 4.275 4.275 4.058 0.217 19178 188 1 1 . 1 1 51 51 TYR C C 51 179.622 179.622 178.517 1.105 19178 189 1 1 . 1 1 51 51 TYR CA C 51 60.966 60.966 62.264 -1.298 19178 190 1 1 . 1 1 51 51 TYR CB C 51 36.803 36.803 37.734 -0.931 19178 191 1 1 . 1 1 51 51 TYR H H 51 7.397 7.397 8.615 -1.218 19178 192 1 1 . 1 1 52 52 LYS N N 52 121.441 121.441 120.015 1.426 19178 193 1 1 . 1 1 52 52 LYS HA H 52 4.103 4.103 4.021 0.082 19178 194 1 1 . 1 1 52 52 LYS C C 52 179.041 179.041 179.148 -0.107 19178 195 1 1 . 1 1 52 52 LYS CA C 52 59.827 59.827 60.080 -0.253 19178 196 1 1 . 1 1 52 52 LYS H H 52 8.332 8.332 8.007 0.325 19178 197 1 1 . 1 1 53 53 LEU N N 53 122.286 122.286 119.390 2.896 19178 198 1 1 . 1 1 53 53 LEU HA H 53 4.376 4.376 4.084 0.292 19178 199 1 1 . 1 1 53 53 LEU C C 53 178.373 178.373 179.143 -0.770 19178 200 1 1 . 1 1 53 53 LEU CA C 53 57.863 57.863 58.066 -0.203 19178 201 1 1 . 1 1 53 53 LEU CB C 53 41.288 41.288 41.499 -0.211 19178 202 1 1 . 1 1 53 53 LEU H H 53 7.671 7.671 8.694 -1.023 19178 203 1 1 . 1 1 54 54 GLY N N 54 127.824 127.824 107.172 20.652 19178 204 1 1 . 1 1 54 54 GLY C C 54 174.865 174.865 175.976 -1.111 19178 205 1 1 . 1 1 54 54 GLY CA C 54 47.971 47.971 47.474 0.497 19178 206 1 1 . 1 1 54 54 GLY H H 54 9.020 9.020 8.677 0.343 19178 207 1 1 . 1 1 55 55 THR N N 55 117.961 117.961 119.698 -1.737 19178 208 1 1 . 1 1 55 55 THR HA H 55 4.445 4.445 4.399 0.046 19178 209 1 1 . 1 1 55 55 THR C C 55 175.188 175.188 176.216 -1.028 19178 210 1 1 . 1 1 55 55 THR CA C 55 67.593 67.593 67.724 -0.131 19178 211 1 1 . 1 1 55 55 THR H H 55 8.123 8.123 8.296 -0.173 19178 212 1 1 . 1 1 56 56 TYR N N 56 122.294 122.294 123.348 -1.054 19178 213 1 1 . 1 1 56 56 TYR HA H 56 4.346 4.346 4.310 0.036 19178 214 1 1 . 1 1 56 56 TYR C C 56 177.909 177.909 176.971 0.938 19178 215 1 1 . 1 1 56 56 TYR CA C 56 61.147 61.147 59.916 1.231 19178 216 1 1 . 1 1 56 56 TYR CB C 56 37.981 37.981 38.066 -0.085 19178 217 1 1 . 1 1 56 56 TYR H H 56 7.697 7.697 8.364 -0.667 19178 218 1 1 . 1 1 57 57 LEU N N 57 118.703 118.703 118.699 0.004 19178 219 1 1 . 1 1 57 57 LEU HA H 57 3.914 3.914 3.687 0.227 19178 220 1 1 . 1 1 57 57 LEU C C 57 180.087 180.087 179.212 0.875 19178 221 1 1 . 1 1 57 57 LEU CA C 57 57.780 57.780 57.173 0.606 19178 222 1 1 . 1 1 57 57 LEU CB C 57 42.026 42.026 42.022 0.004 19178 223 1 1 . 1 1 57 57 LEU H H 57 8.909 8.909 7.829 1.080 19178 224 1 1 . 1 1 58 58 TYR N N 58 120.667 120.667 117.654 3.013 19178 225 1 1 . 1 1 58 58 TYR HA H 58 4.209 4.209 4.194 0.015 19178 226 1 1 . 1 1 58 58 TYR C C 58 177.511 177.511 176.420 1.091 19178 227 1 1 . 1 1 58 58 TYR CA C 58 61.641 61.641 60.883 0.758 19178 228 1 1 . 1 1 58 58 TYR H H 58 8.971 8.971 8.005 0.966 19178 229 1 1 . 1 1 59 59 GLN N N 59 119.344 119.344 113.847 5.497 19178 230 1 1 . 1 1 59 59 GLN HA H 59 4.668 4.668 4.519 0.149 19178 231 1 1 . 1 1 59 59 GLN C C 59 179.270 179.270 174.291 4.979 19178 232 1 1 . 1 1 59 59 GLN H H 59 8.378 8.378 8.135 0.243 19178 233 1 1 . 1 1 67 67 PHE HA H 67 4.852 4.852 4.139 0.713 19178 234 1 1 . 1 1 67 67 PHE C C 67 175.889 175.889 175.923 -0.034 19178 235 1 1 . 1 1 67 67 PHE CA C 67 55.576 55.576 60.134 -4.558 19178 236 1 1 . 1 1 67 67 PHE CB C 67 42.444 42.444 38.997 3.447 19178 237 1 1 . 1 1 68 68 ASN N N 68 120.775 120.775 117.485 3.290 19178 238 1 1 . 1 1 68 68 ASN C C 68 175.338 175.338 174.302 1.036 19178 239 1 1 . 1 1 68 68 ASN CA C 68 55.092 55.092 53.393 1.699 19178 240 1 1 . 1 1 68 68 ASN CB C 68 40.006 40.006 39.657 0.349 19178 241 1 1 . 1 1 68 68 ASN H H 68 9.560 9.560 8.092 1.468 19178 242 1 1 . 1 1 69 69 THR N N 69 127.914 127.914 119.059 8.855 19178 243 1 1 . 1 1 69 69 THR HA H 69 4.732 4.732 4.655 0.077 19178 244 1 1 . 1 1 69 69 THR C C 69 173.530 173.530 174.759 -1.229 19178 245 1 1 . 1 1 69 69 THR CA C 69 58.877 58.877 61.022 -2.145 19178 246 1 1 . 1 1 69 69 THR CB C 69 73.620 73.620 70.184 3.436 19178 247 1 1 . 1 1 69 69 THR H H 69 7.237 7.237 8.576 -1.339 19178 248 1 1 . 1 1 70 70 LEU N N 70 122.013 122.013 128.475 -6.462 19178 249 1 1 . 1 1 70 70 LEU HA H 70 3.005 3.005 4.306 -1.301 19178 250 1 1 . 1 1 70 70 LEU C C 70 178.252 178.252 177.997 0.255 19178 251 1 1 . 1 1 70 70 LEU CA C 70 56.721 56.721 56.289 0.432 19178 252 1 1 . 1 1 70 70 LEU CB C 70 41.199 41.199 41.459 -0.260 19178 253 1 1 . 1 1 70 70 LEU H H 70 8.614 8.614 8.954 -0.340 19178 254 1 1 . 1 1 71 71 THR N N 71 114.041 114.041 114.804 -0.763 19178 255 1 1 . 1 1 71 71 THR HA H 71 3.620 3.620 3.926 -0.306 19178 256 1 1 . 1 1 71 71 THR C C 71 175.400 175.400 176.733 -1.333 19178 257 1 1 . 1 1 71 71 THR CA C 71 66.405 66.405 66.343 0.062 19178 258 1 1 . 1 1 71 71 THR CB C 71 68.517 68.517 68.350 0.167 19178 259 1 1 . 1 1 71 71 THR H H 71 7.694 7.694 8.204 -0.510 19178 260 1 1 . 1 1 72 72 GLU N N 72 120.141 120.141 121.545 -1.404 19178 261 1 1 . 1 1 72 72 GLU HA H 72 3.997 3.997 3.984 0.013 19178 262 1 1 . 1 1 72 72 GLU C C 72 178.982 178.982 178.119 0.863 19178 263 1 1 . 1 1 72 72 GLU CA C 72 59.250 59.250 59.608 -0.358 19178 264 1 1 . 1 1 72 72 GLU CB C 72 30.907 30.907 29.007 1.900 19178 265 1 1 . 1 1 72 72 GLU H H 72 7.514 7.514 7.722 -0.208 19178 266 1 1 . 1 1 73 73 ALA N N 73 123.400 123.400 122.158 1.242 19178 267 1 1 . 1 1 73 73 ALA HA H 73 2.167 2.167 3.852 -1.685 19178 268 1 1 . 1 1 73 73 ALA C C 73 178.959 178.959 179.402 -0.443 19178 269 1 1 . 1 1 73 73 ALA CA C 73 54.323 54.323 55.049 -0.726 19178 270 1 1 . 1 1 73 73 ALA CB C 73 17.561 17.561 18.145 -0.584 19178 271 1 1 . 1 1 73 73 ALA H H 73 6.788 6.788 7.480 -0.692 19178 272 1 1 . 1 1 74 74 ARG N N 74 116.272 116.272 118.297 -2.025 19178 273 1 1 . 1 1 74 74 ARG HA H 74 3.887 3.887 4.275 -0.388 19178 274 1 1 . 1 1 74 74 ARG C C 74 179.230 179.230 178.135 1.095 19178 275 1 1 . 1 1 74 74 ARG CA C 74 60.442 60.442 59.724 0.718 19178 276 1 1 . 1 1 74 74 ARG CB C 74 29.878 29.878 29.999 -0.121 19178 277 1 1 . 1 1 74 74 ARG H H 74 8.145 8.145 8.303 -0.158 19178 278 1 1 . 1 1 75 75 ASP N N 75 120.487 120.487 118.649 1.838 19178 279 1 1 . 1 1 75 75 ASP HA H 75 4.446 4.446 4.502 -0.056 19178 280 1 1 . 1 1 75 75 ASP C C 75 178.040 178.040 177.925 0.115 19178 281 1 1 . 1 1 75 75 ASP CA C 75 57.166 57.166 56.595 0.571 19178 282 1 1 . 1 1 75 75 ASP CB C 75 39.687 39.687 40.663 -0.975 19178 283 1 1 . 1 1 75 75 ASP H H 75 8.594 8.594 8.451 0.143 19178 284 1 1 . 1 1 76 76 ALA N N 76 122.773 122.773 122.989 -0.216 19178 285 1 1 . 1 1 76 76 ALA HA H 76 4.345 4.345 4.089 0.256 19178 286 1 1 . 1 1 76 76 ALA C C 76 181.221 181.221 179.556 1.665 19178 287 1 1 . 1 1 76 76 ALA CA C 76 55.245 55.245 55.427 -0.182 19178 288 1 1 . 1 1 76 76 ALA CB C 76 18.316 18.316 18.721 -0.405 19178 289 1 1 . 1 1 76 76 ALA H H 76 7.668 7.668 7.385 0.283 19178 290 1 1 . 1 1 77 77 ILE N N 77 120.254 120.254 115.016 5.238 19178 291 1 1 . 1 1 77 77 ILE HA H 77 3.632 3.632 3.837 -0.205 19178 292 1 1 . 1 1 77 77 ILE C C 77 176.567 176.567 177.242 -0.675 19178 293 1 1 . 1 1 77 77 ILE CA C 77 66.365 66.365 63.508 2.857 19178 294 1 1 . 1 1 77 77 ILE CB C 77 37.947 37.947 36.456 1.491 19178 295 1 1 . 1 1 77 77 ILE H H 77 7.724 7.724 8.272 -0.548 19178 296 1 1 . 1 1 78 78 LYS N N 78 122.773 122.773 121.322 1.451 19178 297 1 1 . 1 1 78 78 LYS HA H 78 4.265 4.265 3.994 0.271 19178 298 1 1 . 1 1 78 78 LYS C C 78 178.382 178.382 178.606 -0.224 19178 299 1 1 . 1 1 78 78 LYS CA C 78 60.442 60.442 59.224 1.218 19178 300 1 1 . 1 1 78 78 LYS CB C 78 33.021 33.021 31.942 1.079 19178 301 1 1 . 1 1 78 78 LYS H H 78 8.465 8.465 8.445 0.020 19178 302 1 1 . 1 1 79 79 ASP N N 79 118.165 118.165 119.945 -1.780 19178 303 1 1 . 1 1 79 79 ASP HA H 79 4.353 4.353 4.484 -0.131 19178 304 1 1 . 1 1 79 79 ASP C C 79 179.289 179.289 178.011 1.278 19178 305 1 1 . 1 1 79 79 ASP CA C 79 57.245 57.245 57.410 -0.165 19178 306 1 1 . 1 1 79 79 ASP H H 79 8.541 8.541 8.302 0.239 19178 307 1 1 . 1 1 80 80 ALA N N 80 122.362 122.362 123.020 -0.658 19178 308 1 1 . 1 1 80 80 ALA HA H 80 4.340 4.340 4.239 0.101 19178 309 1 1 . 1 1 80 80 ALA C C 80 179.265 179.265 180.151 -0.886 19178 310 1 1 . 1 1 80 80 ALA CA C 80 54.979 54.979 55.371 -0.392 19178 311 1 1 . 1 1 80 80 ALA CB C 80 18.254 18.254 18.419 -0.165 19178 312 1 1 . 1 1 80 80 ALA H H 80 7.727 7.727 8.131 -0.404 19178 313 1 1 . 1 1 81 81 TYR N N 81 118.882 118.882 118.733 0.149 19178 314 1 1 . 1 1 81 81 TYR HA H 81 4.115 4.115 4.290 -0.175 19178 315 1 1 . 1 1 81 81 TYR C C 81 178.146 178.146 178.570 -0.424 19178 316 1 1 . 1 1 81 81 TYR CA C 81 61.635 61.635 60.215 1.419 19178 317 1 1 . 1 1 81 81 TYR CB C 81 38.115 38.115 38.047 0.068 19178 318 1 1 . 1 1 81 81 TYR H H 81 9.037 9.037 9.200 -0.163 19178 319 1 1 . 1 1 82 82 GLU N N 82 116.630 116.630 118.247 -1.617 19178 320 1 1 . 1 1 82 82 GLU HA H 82 3.816 3.816 4.102 -0.286 19178 321 1 1 . 1 1 82 82 GLU C C 82 178.664 178.664 178.312 0.352 19178 322 1 1 . 1 1 82 82 GLU CA C 82 59.304 59.304 58.600 0.704 19178 323 1 1 . 1 1 82 82 GLU CB C 82 28.848 28.848 29.264 -0.416 19178 324 1 1 . 1 1 82 82 GLU H H 82 8.854 8.854 8.055 0.799 19178 325 1 1 . 1 1 83 83 SER N N 83 114.004 114.004 115.399 -1.395 19178 326 1 1 . 1 1 83 83 SER HA H 83 4.164 4.164 4.266 -0.102 19178 327 1 1 . 1 1 83 83 SER C C 83 174.387 174.387 175.801 -1.414 19178 328 1 1 . 1 1 83 83 SER CA C 83 61.038 61.038 60.788 0.250 19178 329 1 1 . 1 1 83 83 SER CB C 83 63.152 63.152 63.699 -0.547 19178 330 1 1 . 1 1 83 83 SER H H 83 7.573 7.573 8.228 -0.655 19178 331 1 1 . 1 1 84 84 TYR N N 84 117.323 117.323 116.977 0.346 19178 332 1 1 . 1 1 84 84 TYR HA H 84 4.595 4.595 4.573 0.022 19178 333 1 1 . 1 1 84 84 TYR C C 84 174.434 174.434 175.192 -0.758 19178 334 1 1 . 1 1 84 84 TYR CA C 84 58.871 58.871 58.470 0.401 19178 335 1 1 . 1 1 84 84 TYR CB C 84 41.746 41.746 39.561 2.185 19178 336 1 1 . 1 1 84 84 TYR H H 84 7.319 7.319 8.250 -0.931 19178 337 1 1 . 1 1 85 85 CYS N N 85 118.762 118.762 119.156 -0.394 19178 338 1 1 . 1 1 85 85 CYS HA H 85 3.940 3.940 4.386 -0.446 19178 339 1 1 . 1 1 85 85 CYS C C 85 176.178 176.178 176.354 -0.176 19178 340 1 1 . 1 1 85 85 CYS CA C 85 58.817 58.817 61.949 -3.132 19178 341 1 1 . 1 1 85 85 CYS CB C 85 26.042 26.042 28.532 -2.490 19178 342 1 1 . 1 1 85 85 CYS H H 85 7.670 7.670 8.163 -0.493 19178 343 1 1 . 1 1 86 86 GLY N N 86 113.730 113.730 115.548 -1.818 19178 344 1 1 . 1 1 86 86 GLY C C 86 174.587 174.587 173.233 1.354 19178 345 1 1 . 1 1 86 86 GLY CA C 86 45.214 45.214 44.995 0.219 19178 346 1 1 . 1 1 86 86 GLY H H 86 10.799 10.799 8.769 2.030 19178 347 1 1 . 1 1 87 87 ILE N N 87 122.743 122.743 118.501 4.242 19178 348 1 1 . 1 1 87 87 ILE HA H 87 4.291 4.291 4.654 -0.363 19178 349 1 1 . 1 1 87 87 ILE C C 87 174.340 174.340 173.686 0.654 19178 350 1 1 . 1 1 87 87 ILE CA C 87 60.968 60.968 59.517 1.451 19178 351 1 1 . 1 1 87 87 ILE CB C 87 35.512 35.512 39.801 -4.289 19178 352 1 1 . 1 1 87 87 ILE H H 87 8.023 8.023 7.407 0.616 19178 353 1 1 . 1 1 88 88 ASP N N 88 125.059 125.059 125.184 -0.125 19178 354 1 1 . 1 1 88 88 ASP HA H 88 4.750 4.750 5.026 -0.276 19178 355 1 1 . 1 1 88 88 ASP C C 88 175.895 175.895 175.453 0.442 19178 356 1 1 . 1 1 88 88 ASP CA C 88 54.319 54.319 53.565 0.754 19178 357 1 1 . 1 1 88 88 ASP CB C 88 41.692 41.692 41.930 -0.238 19178 358 1 1 . 1 1 88 88 ASP H H 88 8.127 8.127 8.908 -0.781 19178 359 1 1 . 1 1 89 89 ASP N N 89 117.971 117.971 118.874 -0.903 19178 360 1 1 . 1 1 89 89 ASP HA H 89 4.822 4.822 4.733 0.089 19178 361 1 1 . 1 1 89 89 ASP C C 89 174.069 174.069 175.088 -1.019 19178 362 1 1 . 1 1 89 89 ASP CA C 89 52.369 52.369 53.448 -1.079 19178 363 1 1 . 1 1 89 89 ASP CB C 89 43.625 43.625 43.974 -0.349 19178 364 1 1 . 1 1 89 89 ASP H H 89 7.617 7.617 7.868 -0.251 19178 365 1 1 . 1 1 90 90 CYS N N 90 126.238 126.238 120.177 6.061 19178 366 1 1 . 1 1 90 90 CYS C C 90 175.636 175.636 175.390 0.246 19178 367 1 1 . 1 1 90 90 CYS CA C 90 56.215 56.215 56.660 -0.445 19178 368 1 1 . 1 1 90 90 CYS H H 90 8.936 8.936 8.447 0.489 19178 369 1 1 . 1 1 91 91 PRO HA H 91 4.460 4.460 4.244 0.216 19178 370 1 1 . 1 1 91 91 PRO C C 91 178.629 178.629 178.335 0.294 19178 371 1 1 . 1 1 91 91 PRO CA C 91 64.614 64.614 64.632 -0.018 19178 372 1 1 . 1 1 91 91 PRO CB C 91 32.208 32.208 32.208 -0.000 19178 373 1 1 . 1 1 92 92 GLN N N 92 119.363 119.363 118.270 1.093 19178 374 1 1 . 1 1 92 92 GLN HA H 92 4.060 4.060 4.082 -0.022 19178 375 1 1 . 1 1 92 92 GLN C C 92 178.181 178.181 178.184 -0.003 19178 376 1 1 . 1 1 92 92 GLN CA C 92 57.837 57.837 59.129 -1.292 19178 377 1 1 . 1 1 92 92 GLN CB C 92 28.252 28.252 27.472 0.780 19178 378 1 1 . 1 1 92 92 GLN H H 92 8.253 8.253 8.666 -0.413 19178 379 1 1 . 1 1 93 93 CYS N N 93 124.725 124.725 115.367 9.358 19178 380 1 1 . 1 1 93 93 CYS HA H 93 4.269 4.269 4.402 -0.133 19178 381 1 1 . 1 1 93 93 CYS C C 93 177.180 177.180 176.469 0.711 19178 382 1 1 . 1 1 93 93 CYS CA C 93 64.366 64.366 62.185 2.181 19178 383 1 1 . 1 1 93 93 CYS CB C 93 30.379 30.379 26.320 4.059 19178 384 1 1 . 1 1 93 93 CYS H H 93 8.581 8.581 8.604 -0.023 19178 385 1 1 . 1 1 94 94 SER N N 94 113.467 113.467 111.828 1.639 19178 386 1 1 . 1 1 94 94 SER HA H 94 4.277 4.277 4.365 -0.088 19178 387 1 1 . 1 1 94 94 SER C C 94 174.481 174.481 175.733 -1.252 19178 388 1 1 . 1 1 94 94 SER CA C 94 59.432 59.432 60.557 -1.125 19178 389 1 1 . 1 1 94 94 SER CB C 94 63.217 63.217 63.210 0.007 19178 390 1 1 . 1 1 94 94 SER H H 94 7.753 7.753 7.718 0.035 19178 391 1 1 . 1 1 95 95 LYS N N 95 121.369 121.369 119.157 2.212 19178 392 1 1 . 1 1 95 95 LYS HA H 95 4.211 4.211 4.420 -0.209 19178 393 1 1 . 1 1 95 95 LYS C C 95 176.237 176.237 175.435 0.802 19178 394 1 1 . 1 1 95 95 LYS CA C 95 56.622 56.622 56.359 0.263 19178 395 1 1 . 1 1 95 95 LYS CB C 95 32.756 32.756 33.923 -1.167 19178 396 1 1 . 1 1 95 95 LYS H H 95 7.520 7.520 7.629 -0.109 19178 397 1 1 . 1 1 96 96 TYR N N 96 121.000 121.000 118.185 2.815 19178 398 1 1 . 1 1 96 96 TYR HA H 96 4.559 4.559 4.757 -0.198 19178 399 1 1 . 1 1 96 96 TYR C C 96 175.577 175.577 174.338 1.239 19178 400 1 1 . 1 1 96 96 TYR CA C 96 58.039 58.039 56.711 1.328 19178 401 1 1 . 1 1 96 96 TYR CB C 96 38.694 38.694 41.969 -3.275 19178 402 1 1 . 1 1 96 96 TYR H H 96 8.005 8.005 7.776 0.229 19178 403 1 1 . 1 1 97 97 ILE N N 97 123.003 123.003 120.801 2.202 19178 404 1 1 . 1 1 97 97 ILE HA H 97 4.120 4.120 4.139 -0.019 19178 405 1 1 . 1 1 97 97 ILE C C 97 175.194 175.194 174.958 0.236 19178 406 1 1 . 1 1 97 97 ILE CA C 97 60.929 60.929 60.203 0.726 19178 407 1 1 . 1 1 97 97 ILE CB C 97 39.044 39.044 38.810 0.234 19178 408 1 1 . 1 1 97 97 ILE H H 97 7.832 7.832 7.169 0.663 19178 409 1 1 . 1 1 98 98 ASP N N 98 125.070 125.070 127.257 -2.187 19178 410 1 1 . 1 1 98 98 ASP HA H 98 4.627 4.627 4.698 -0.071 19178 411 1 1 . 1 1 98 98 ASP C C 98 174.976 174.976 175.480 -0.504 19178 412 1 1 . 1 1 98 98 ASP CA C 98 54.184 54.184 53.202 0.982 19178 413 1 1 . 1 1 98 98 ASP CB C 98 41.502 41.502 41.085 0.417 19178 414 1 1 . 1 1 98 98 ASP H H 98 8.245 8.245 8.414 -0.169 19178 415 1 2 . 1 1 16 16 GLN HA H 16 4.330 4.330 4.295 0.035 19178 416 1 2 . 1 1 17 17 GLU N N 17 119.126 119.126 120.348 -1.222 19178 417 1 2 . 1 1 17 17 GLU HA H 17 4.329 4.329 4.295 0.034 19178 418 1 2 . 1 1 17 17 GLU H H 17 8.422 8.422 8.720 -0.298 19178 419 1 2 . 1 1 18 18 GLN N N 18 120.450 120.450 118.373 2.077 19178 420 1 2 . 1 1 18 18 GLN HA H 18 4.081 4.081 4.192 -0.111 19178 421 1 2 . 1 1 18 18 GLN H H 18 8.729 8.729 8.830 -0.101 19178 422 1 2 . 1 1 19 19 TRP N N 19 121.902 121.902 121.646 0.256 19178 423 1 2 . 1 1 19 19 TRP HA H 19 4.125 4.125 4.259 -0.134 19178 424 1 2 . 1 1 19 19 TRP C C 19 179.400 179.400 177.051 2.349 19178 425 1 2 . 1 1 19 19 TRP CA C 19 62.361 62.361 60.747 1.614 19178 426 1 2 . 1 1 19 19 TRP CB C 19 29.938 29.938 28.767 1.171 19178 427 1 2 . 1 1 19 19 TRP H H 19 8.561 8.561 7.801 0.760 19178 428 1 2 . 1 1 20 20 ALA N N 20 122.759 122.759 121.100 1.659 19178 429 1 2 . 1 1 20 20 ALA HA H 20 3.815 3.815 3.391 0.424 19178 430 1 2 . 1 1 20 20 ALA C C 20 180.433 180.433 179.075 1.358 19178 431 1 2 . 1 1 20 20 ALA CA C 20 55.619 55.619 54.524 1.095 19178 432 1 2 . 1 1 20 20 ALA CB C 20 18.474 18.474 17.685 0.789 19178 433 1 2 . 1 1 20 20 ALA H H 20 8.828 8.828 7.747 1.081 19178 434 1 2 . 1 1 21 21 MET N N 21 117.474 117.474 118.128 -0.654 19178 435 1 2 . 1 1 21 21 MET HA H 21 4.479 4.479 3.979 0.500 19178 436 1 2 . 1 1 21 21 MET C C 21 178.744 178.744 178.634 0.110 19178 437 1 2 . 1 1 21 21 MET CA C 21 56.778 56.778 58.799 -2.021 19178 438 1 2 . 1 1 21 21 MET CB C 21 29.956 29.956 32.429 -2.473 19178 439 1 2 . 1 1 21 21 MET H H 21 8.702 8.702 7.561 1.141 19178 440 1 2 . 1 1 22 22 GLN N N 22 119.738 119.738 118.943 0.795 19178 441 1 2 . 1 1 22 22 GLN HA H 22 4.025 4.025 3.941 0.084 19178 442 1 2 . 1 1 22 22 GLN C C 22 180.104 180.104 177.994 2.110 19178 443 1 2 . 1 1 22 22 GLN CA C 22 58.872 58.872 59.675 -0.803 19178 444 1 2 . 1 1 22 22 GLN CB C 22 27.880 27.880 28.173 -0.293 19178 445 1 2 . 1 1 22 22 GLN H H 22 8.531 8.531 7.795 0.736 19178 446 1 2 . 1 1 23 23 THR N N 23 117.049 117.049 115.594 1.455 19178 447 1 2 . 1 1 23 23 THR HA H 23 3.715 3.715 4.002 -0.287 19178 448 1 2 . 1 1 23 23 THR C C 23 177.477 177.477 176.722 0.755 19178 449 1 2 . 1 1 23 23 THR CA C 23 66.380 66.380 65.448 0.932 19178 450 1 2 . 1 1 23 23 THR CB C 23 67.579 67.579 68.606 -1.027 19178 451 1 2 . 1 1 23 23 THR H H 23 7.752 7.752 7.538 0.214 19178 452 1 2 . 1 1 24 24 LEU N N 24 125.735 125.735 122.139 3.596 19178 453 1 2 . 1 1 24 24 LEU HA H 24 3.731 3.731 3.857 -0.126 19178 454 1 2 . 1 1 24 24 LEU C C 24 178.544 178.544 179.236 -0.692 19178 455 1 2 . 1 1 24 24 LEU CA C 24 58.882 58.882 58.318 0.564 19178 456 1 2 . 1 1 24 24 LEU CB C 24 41.550 41.550 41.951 -0.401 19178 457 1 2 . 1 1 24 24 LEU H H 24 7.886 7.886 8.201 -0.315 19178 458 1 2 . 1 1 25 25 MET N N 25 118.622 118.622 116.959 1.663 19178 459 1 2 . 1 1 25 25 MET HA H 25 4.717 4.717 4.460 0.257 19178 460 1 2 . 1 1 25 25 MET C C 25 181.465 181.465 178.006 3.459 19178 461 1 2 . 1 1 25 25 MET CA C 25 55.604 55.604 58.225 -2.621 19178 462 1 2 . 1 1 25 25 MET CB C 25 32.071 32.071 32.749 -0.678 19178 463 1 2 . 1 1 25 25 MET H H 25 8.619 8.619 8.120 0.499 19178 464 1 2 . 1 1 26 26 GLY N N 26 110.755 110.755 107.667 3.088 19178 465 1 2 . 1 1 26 26 GLY C C 26 174.662 174.662 175.653 -0.991 19178 466 1 2 . 1 1 26 26 GLY CA C 26 46.788 46.788 46.291 0.497 19178 467 1 2 . 1 1 26 26 GLY H H 26 8.953 8.953 8.151 0.802 19178 468 1 2 . 1 1 27 27 SER N N 27 109.977 109.977 115.568 -5.591 19178 469 1 2 . 1 1 27 27 SER HA H 27 4.422 4.422 4.231 0.191 19178 470 1 2 . 1 1 27 27 SER C C 27 175.612 175.612 175.643 -0.031 19178 471 1 2 . 1 1 27 27 SER CA C 27 58.309 58.309 58.741 -0.432 19178 472 1 2 . 1 1 27 27 SER CB C 27 64.423 64.423 63.329 1.094 19178 473 1 2 . 1 1 27 27 SER H H 27 7.335 7.335 7.620 -0.285 19178 474 1 2 . 1 1 28 28 GLY N N 28 110.105 110.105 108.015 2.090 19178 475 1 2 . 1 1 28 28 GLY C C 28 174.029 174.029 175.136 -1.107 19178 476 1 2 . 1 1 28 28 GLY CA C 28 45.371 45.371 45.378 -0.007 19178 477 1 2 . 1 1 28 28 GLY H H 28 7.536 7.536 7.917 -0.381 19178 478 1 2 . 1 1 29 29 VAL N N 29 121.444 121.444 120.051 1.393 19178 479 1 2 . 1 1 29 29 VAL HA H 29 4.720 4.720 3.775 0.945 19178 480 1 2 . 1 1 29 29 VAL C C 29 177.149 177.149 175.912 1.237 19178 481 1 2 . 1 1 29 29 VAL CA C 29 66.474 66.474 65.355 1.119 19178 482 1 2 . 1 1 29 29 VAL CB C 29 32.694 32.694 32.372 0.322 19178 483 1 2 . 1 1 29 29 VAL H H 29 7.738 7.738 7.383 0.355 19178 484 1 2 . 1 1 30 30 LEU N N 30 115.594 115.594 115.958 -0.364 19178 485 1 2 . 1 1 30 30 LEU HA H 30 5.349 5.349 4.271 1.078 19178 486 1 2 . 1 1 30 30 LEU C C 30 174.427 174.427 174.653 -0.226 19178 487 1 2 . 1 1 30 30 LEU CA C 30 52.231 52.231 53.338 -1.107 19178 488 1 2 . 1 1 30 30 LEU CB C 30 43.525 43.525 43.990 -0.465 19178 489 1 2 . 1 1 30 30 LEU H H 30 7.090 7.090 7.217 -0.127 19178 490 1 2 . 1 1 31 31 ALA N N 31 122.020 122.020 120.936 1.084 19178 491 1 2 . 1 1 31 31 ALA HA H 31 4.539 4.539 4.703 -0.164 19178 492 1 2 . 1 1 31 31 ALA C C 31 175.130 175.130 175.284 -0.154 19178 493 1 2 . 1 1 31 31 ALA CA C 31 50.963 50.963 50.950 0.013 19178 494 1 2 . 1 1 31 31 ALA CB C 31 22.314 22.314 21.512 0.802 19178 495 1 2 . 1 1 31 31 ALA H H 31 8.981 8.981 8.534 0.447 19178 496 1 2 . 1 1 32 32 ARG N N 32 118.606 118.606 123.062 -4.456 19178 497 1 2 . 1 1 32 32 ARG HA H 32 5.342 5.342 4.612 0.730 19178 498 1 2 . 1 1 32 32 ARG C C 32 178.051 178.051 174.898 3.153 19178 499 1 2 . 1 1 32 32 ARG CA C 32 54.543 54.543 55.028 -0.485 19178 500 1 2 . 1 1 32 32 ARG CB C 32 31.485 31.485 33.086 -1.601 19178 501 1 2 . 1 1 32 32 ARG H H 32 8.223 8.223 8.296 -0.073 19178 502 1 2 . 1 1 33 33 CYS N N 33 125.750 125.750 123.879 1.871 19178 503 1 2 . 1 1 33 33 CYS HA H 33 4.117 4.117 4.621 -0.504 19178 504 1 2 . 1 1 33 33 CYS C C 33 175.978 175.978 176.300 -0.322 19178 505 1 2 . 1 1 33 33 CYS CA C 33 60.620 60.620 58.245 2.375 19178 506 1 2 . 1 1 33 33 CYS CB C 33 27.213 27.213 29.434 -2.221 19178 507 1 2 . 1 1 33 33 CYS H H 33 8.314 8.314 8.559 -0.245 19178 508 1 2 . 1 1 34 34 ARG N N 34 128.053 128.053 128.218 -0.165 19178 509 1 2 . 1 1 34 34 ARG HA H 34 3.926 3.926 4.138 -0.212 19178 510 1 2 . 1 1 34 34 ARG C C 34 176.565 176.565 176.043 0.522 19178 511 1 2 . 1 1 34 34 ARG CA C 34 58.719 58.719 58.572 0.147 19178 512 1 2 . 1 1 34 34 ARG CB C 34 30.159 30.159 29.842 0.317 19178 513 1 2 . 1 1 34 34 ARG H H 34 8.578 8.578 8.805 -0.227 19178 514 1 2 . 1 1 35 35 ILE N N 35 122.502 122.502 115.669 6.833 19178 515 1 2 . 1 1 35 35 ILE HA H 35 3.843 3.843 3.991 -0.148 19178 516 1 2 . 1 1 35 35 ILE C C 35 176.028 176.028 175.312 0.716 19178 517 1 2 . 1 1 35 35 ILE CA C 35 62.035 62.035 61.421 0.614 19178 518 1 2 . 1 1 35 35 ILE CB C 35 39.125 39.125 38.680 0.445 19178 519 1 2 . 1 1 35 35 ILE H H 35 8.932 8.932 7.147 1.785 19178 520 1 2 . 1 1 36 36 HIS N N 36 121.974 121.974 119.032 2.942 19178 521 1 2 . 1 1 36 36 HIS HA H 36 4.569 4.569 4.854 -0.285 19178 522 1 2 . 1 1 36 36 HIS CB C 36 31.187 31.187 29.160 2.027 19178 523 1 2 . 1 1 36 36 HIS H H 36 8.078 8.078 7.620 0.458 19178 524 1 2 . 1 1 37 37 ASN N N 37 119.433 119.433 120.777 -1.344 19178 525 1 2 . 1 1 37 37 ASN HA H 37 4.399 4.399 4.678 -0.279 19178 526 1 2 . 1 1 37 37 ASN C C 37 173.906 173.906 175.658 -1.752 19178 527 1 2 . 1 1 37 37 ASN CA C 37 56.407 56.407 55.130 1.278 19178 528 1 2 . 1 1 37 37 ASN CB C 37 39.331 39.331 39.966 -0.635 19178 529 1 2 . 1 1 37 37 ASN H H 37 8.386 8.386 8.598 -0.211 19178 530 1 2 . 1 1 38 38 ASP N N 38 112.673 112.673 118.705 -6.032 19178 531 1 2 . 1 1 38 38 ASP HA H 38 4.385 4.385 4.761 -0.376 19178 532 1 2 . 1 1 38 38 ASP C C 38 175.841 175.841 175.053 0.788 19178 533 1 2 . 1 1 38 38 ASP CA C 38 53.983 53.983 54.901 -0.918 19178 534 1 2 . 1 1 38 38 ASP CB C 38 40.263 40.263 41.063 -0.800 19178 535 1 2 . 1 1 38 38 ASP H H 38 8.880 8.880 8.385 0.495 19178 536 1 2 . 1 1 39 39 VAL N N 39 124.385 124.385 118.149 6.236 19178 537 1 2 . 1 1 39 39 VAL HA H 39 3.944 3.944 4.088 -0.144 19178 538 1 2 . 1 1 39 39 VAL C C 39 173.731 173.731 174.470 -0.739 19178 539 1 2 . 1 1 39 39 VAL CA C 39 63.514 63.514 61.472 2.042 19178 540 1 2 . 1 1 39 39 VAL CB C 39 32.408 32.408 33.363 -0.955 19178 541 1 2 . 1 1 39 39 VAL H H 39 8.253 8.253 7.735 0.518 19178 542 1 2 . 1 1 40 40 ILE N N 40 128.130 128.130 125.910 2.220 19178 543 1 2 . 1 1 40 40 ILE HA H 40 4.222 4.222 4.077 0.145 19178 544 1 2 . 1 1 40 40 ILE C C 40 174.090 174.090 173.414 0.676 19178 545 1 2 . 1 1 40 40 ILE CA C 40 60.635 60.635 59.165 1.470 19178 546 1 2 . 1 1 40 40 ILE CB C 40 38.281 38.281 38.644 -0.363 19178 547 1 2 . 1 1 40 40 ILE H H 40 7.836 7.836 7.565 0.271 19178 548 1 2 . 1 1 41 41 LEU N N 41 124.924 124.924 126.993 -2.069 19178 549 1 2 . 1 1 41 41 LEU HA H 41 4.884 4.884 4.710 0.174 19178 550 1 2 . 1 1 41 41 LEU C C 41 175.989 175.989 175.512 0.477 19178 551 1 2 . 1 1 41 41 LEU CA C 41 52.654 52.654 52.871 -0.217 19178 552 1 2 . 1 1 41 41 LEU CB C 41 45.122 45.122 43.998 1.124 19178 553 1 2 . 1 1 41 41 LEU H H 41 8.836 8.836 8.667 0.169 19178 554 1 2 . 1 1 42 42 ASP N N 42 119.247 119.247 120.306 -1.059 19178 555 1 2 . 1 1 42 42 ASP HA H 42 4.858 4.858 4.741 0.117 19178 556 1 2 . 1 1 42 42 ASP C C 42 176.128 176.128 175.561 0.567 19178 557 1 2 . 1 1 42 42 ASP CA C 42 53.328 53.328 53.202 0.126 19178 558 1 2 . 1 1 42 42 ASP CB C 42 41.408 41.408 42.857 -1.449 19178 559 1 2 . 1 1 42 42 ASP H H 42 8.725 8.725 8.697 0.028 19178 560 1 2 . 1 1 43 43 SER N N 43 123.344 123.344 121.339 2.005 19178 561 1 2 . 1 1 43 43 SER HA H 43 4.178 4.178 4.534 -0.356 19178 562 1 2 . 1 1 43 43 SER C C 43 176.291 176.291 175.442 0.849 19178 563 1 2 . 1 1 43 43 SER CA C 43 60.431 60.431 59.185 1.246 19178 564 1 2 . 1 1 43 43 SER CB C 43 64.943 64.943 64.423 0.520 19178 565 1 2 . 1 1 43 43 SER H H 43 8.462 8.462 8.374 0.088 19178 566 1 2 . 1 1 44 44 GLY N N 44 112.184 112.184 108.532 3.652 19178 567 1 2 . 1 1 44 44 GLY C C 44 174.525 174.525 173.866 0.659 19178 568 1 2 . 1 1 44 44 GLY CA C 44 45.368 45.368 44.872 0.496 19178 569 1 2 . 1 1 44 44 GLY H H 44 9.230 9.230 7.997 1.234 19178 570 1 2 . 1 1 45 45 ASN N N 45 119.774 119.774 117.782 1.992 19178 571 1 2 . 1 1 45 45 ASN HA H 45 4.681 4.681 4.973 -0.292 19178 572 1 2 . 1 1 45 45 ASN C C 45 174.866 174.866 173.763 1.103 19178 573 1 2 . 1 1 45 45 ASN CA C 45 52.807 52.807 51.600 1.207 19178 574 1 2 . 1 1 45 45 ASN CB C 45 39.241 39.241 40.858 -1.617 19178 575 1 2 . 1 1 45 45 ASN H H 45 8.486 8.486 8.189 0.297 19178 576 1 2 . 1 1 46 46 ASP N N 46 120.223 120.223 119.351 0.872 19178 577 1 2 . 1 1 46 46 ASP HA H 46 4.367 4.367 4.482 -0.115 19178 578 1 2 . 1 1 46 46 ASP C C 46 177.272 177.272 176.024 1.248 19178 579 1 2 . 1 1 46 46 ASP CA C 46 54.869 54.869 54.282 0.587 19178 580 1 2 . 1 1 46 46 ASP CB C 46 42.461 42.461 39.849 2.612 19178 581 1 2 . 1 1 46 46 ASP H H 46 8.387 8.387 8.472 -0.085 19178 582 1 2 . 1 1 47 47 ALA N N 47 126.587 126.587 128.651 -2.064 19178 583 1 2 . 1 1 47 47 ALA HA H 47 3.741 3.741 3.937 -0.196 19178 584 1 2 . 1 1 47 47 ALA C C 47 177.980 177.980 178.403 -0.423 19178 585 1 2 . 1 1 47 47 ALA CA C 47 53.866 53.866 53.949 -0.083 19178 586 1 2 . 1 1 47 47 ALA CB C 47 16.554 16.554 18.623 -2.069 19178 587 1 2 . 1 1 47 47 ALA H H 47 8.747 8.747 8.464 0.283 19178 588 1 2 . 1 1 48 48 SER N N 48 115.463 115.463 113.343 2.120 19178 589 1 2 . 1 1 48 48 SER HA H 48 4.203 4.203 3.805 0.398 19178 590 1 2 . 1 1 48 48 SER CA C 48 61.994 61.994 61.371 0.623 19178 591 1 2 . 1 1 48 48 SER H H 48 8.973 8.973 8.149 0.824 19178 592 1 2 . 1 1 49 49 SER C C 49 176.587 176.587 175.743 0.844 19178 593 1 2 . 1 1 49 49 SER CA C 49 62.279 62.279 60.907 1.371 19178 594 1 2 . 1 1 50 50 ALA N N 50 125.775 125.775 124.436 1.339 19178 595 1 2 . 1 1 50 50 ALA HA H 50 4.076 4.076 4.060 0.016 19178 596 1 2 . 1 1 50 50 ALA C C 50 179.125 179.125 180.203 -1.078 19178 597 1 2 . 1 1 50 50 ALA CA C 50 54.822 54.822 54.901 -0.079 19178 598 1 2 . 1 1 50 50 ALA CB C 50 18.834 18.834 18.234 0.600 19178 599 1 2 . 1 1 50 50 ALA H H 50 7.620 7.620 7.528 0.092 19178 600 1 2 . 1 1 51 51 TYR N N 51 117.562 117.562 117.780 -0.218 19178 601 1 2 . 1 1 51 51 TYR HA H 51 4.275 4.275 4.163 0.112 19178 602 1 2 . 1 1 51 51 TYR C C 51 179.622 179.622 178.337 1.285 19178 603 1 2 . 1 1 51 51 TYR CA C 51 60.966 60.966 58.650 2.316 19178 604 1 2 . 1 1 51 51 TYR CB C 51 36.803 36.803 37.020 -0.217 19178 605 1 2 . 1 1 51 51 TYR H H 51 7.397 7.397 8.032 -0.635 19178 606 1 2 . 1 1 52 52 LYS N N 52 121.441 121.441 120.739 0.702 19178 607 1 2 . 1 1 52 52 LYS HA H 52 4.103 4.103 4.097 0.006 19178 608 1 2 . 1 1 52 52 LYS C C 52 179.041 179.041 179.092 -0.051 19178 609 1 2 . 1 1 52 52 LYS CA C 52 59.827 59.827 58.931 0.895 19178 610 1 2 . 1 1 52 52 LYS H H 52 8.332 8.332 7.985 0.347 19178 611 1 2 . 1 1 53 53 LEU N N 53 122.286 122.286 118.417 3.869 19178 612 1 2 . 1 1 53 53 LEU HA H 53 4.376 4.376 4.027 0.349 19178 613 1 2 . 1 1 53 53 LEU C C 53 178.373 178.373 179.147 -0.774 19178 614 1 2 . 1 1 53 53 LEU CA C 53 57.863 57.863 58.030 -0.167 19178 615 1 2 . 1 1 53 53 LEU CB C 53 41.288 41.288 41.422 -0.134 19178 616 1 2 . 1 1 53 53 LEU H H 53 7.671 7.671 8.639 -0.968 19178 617 1 2 . 1 1 54 54 GLY N N 54 127.824 127.824 107.729 20.095 19178 618 1 2 . 1 1 54 54 GLY C C 54 174.865 174.865 176.004 -1.139 19178 619 1 2 . 1 1 54 54 GLY CA C 54 47.971 47.971 47.516 0.455 19178 620 1 2 . 1 1 54 54 GLY H H 54 9.020 9.020 8.648 0.372 19178 621 1 2 . 1 1 55 55 THR N N 55 117.961 117.961 120.118 -2.157 19178 622 1 2 . 1 1 55 55 THR HA H 55 4.445 4.445 4.203 0.242 19178 623 1 2 . 1 1 55 55 THR C C 55 175.188 175.188 176.285 -1.097 19178 624 1 2 . 1 1 55 55 THR CA C 55 67.593 67.593 67.507 0.086 19178 625 1 2 . 1 1 55 55 THR H H 55 8.123 8.123 8.545 -0.422 19178 626 1 2 . 1 1 56 56 TYR N N 56 122.294 122.294 122.808 -0.514 19178 627 1 2 . 1 1 56 56 TYR HA H 56 4.346 4.346 4.221 0.125 19178 628 1 2 . 1 1 56 56 TYR C C 56 177.909 177.909 177.043 0.866 19178 629 1 2 . 1 1 56 56 TYR CA C 56 61.147 61.147 61.684 -0.536 19178 630 1 2 . 1 1 56 56 TYR CB C 56 37.981 37.981 38.384 -0.403 19178 631 1 2 . 1 1 56 56 TYR H H 56 7.697 7.697 8.309 -0.612 19178 632 1 2 . 1 1 57 57 LEU N N 57 118.703 118.703 119.207 -0.504 19178 633 1 2 . 1 1 57 57 LEU HA H 57 3.914 3.914 3.551 0.363 19178 634 1 2 . 1 1 57 57 LEU C C 57 180.087 180.087 178.336 1.751 19178 635 1 2 . 1 1 57 57 LEU CA C 57 57.780 57.780 57.224 0.556 19178 636 1 2 . 1 1 57 57 LEU CB C 57 42.026 42.026 42.124 -0.098 19178 637 1 2 . 1 1 57 57 LEU H H 57 8.909 8.909 8.029 0.880 19178 638 1 2 . 1 1 58 58 TYR N N 58 120.667 120.667 118.259 2.408 19178 639 1 2 . 1 1 58 58 TYR HA H 58 4.209 4.209 4.002 0.207 19178 640 1 2 . 1 1 58 58 TYR C C 58 177.511 177.511 176.397 1.114 19178 641 1 2 . 1 1 58 58 TYR CA C 58 61.641 61.641 60.608 1.033 19178 642 1 2 . 1 1 58 58 TYR H H 58 8.971 8.971 8.129 0.842 19178 643 1 2 . 1 1 59 59 GLN N N 59 119.344 119.344 115.668 3.676 19178 644 1 2 . 1 1 59 59 GLN HA H 59 4.668 4.668 3.891 0.777 19178 645 1 2 . 1 1 59 59 GLN C C 59 179.270 179.270 175.883 3.387 19178 646 1 2 . 1 1 59 59 GLN H H 59 8.378 8.378 7.916 0.462 19178 647 1 2 . 1 1 67 67 PHE HA H 67 4.852 4.852 4.336 0.516 19178 648 1 2 . 1 1 67 67 PHE C C 67 175.889 175.889 175.491 0.398 19178 649 1 2 . 1 1 67 67 PHE CA C 67 55.576 55.576 58.213 -2.637 19178 650 1 2 . 1 1 67 67 PHE CB C 67 42.444 42.444 39.720 2.724 19178 651 1 2 . 1 1 68 68 ASN N N 68 120.775 120.775 117.998 2.777 19178 652 1 2 . 1 1 68 68 ASN C C 68 175.338 175.338 174.684 0.654 19178 653 1 2 . 1 1 68 68 ASN CA C 68 55.092 55.092 53.160 1.932 19178 654 1 2 . 1 1 68 68 ASN CB C 68 40.006 40.006 38.908 1.098 19178 655 1 2 . 1 1 68 68 ASN H H 68 9.560 9.560 8.059 1.501 19178 656 1 2 . 1 1 69 69 THR N N 69 127.914 127.914 117.613 10.301 19178 657 1 2 . 1 1 69 69 THR HA H 69 4.732 4.732 4.588 0.144 19178 658 1 2 . 1 1 69 69 THR C C 69 173.530 173.530 174.826 -1.296 19178 659 1 2 . 1 1 69 69 THR CA C 69 58.877 58.877 61.125 -2.248 19178 660 1 2 . 1 1 69 69 THR CB C 69 73.620 73.620 71.049 2.571 19178 661 1 2 . 1 1 69 69 THR H H 69 7.237 7.237 8.042 -0.805 19178 662 1 2 . 1 1 70 70 LEU N N 70 122.013 122.013 128.157 -6.144 19178 663 1 2 . 1 1 70 70 LEU HA H 70 3.005 3.005 4.193 -1.188 19178 664 1 2 . 1 1 70 70 LEU C C 70 178.252 178.252 177.516 0.736 19178 665 1 2 . 1 1 70 70 LEU CA C 70 56.721 56.721 56.980 -0.259 19178 666 1 2 . 1 1 70 70 LEU CB C 70 41.199 41.199 41.381 -0.182 19178 667 1 2 . 1 1 70 70 LEU H H 70 8.614 8.614 8.937 -0.323 19178 668 1 2 . 1 1 71 71 THR N N 71 114.041 114.041 115.245 -1.204 19178 669 1 2 . 1 1 71 71 THR HA H 71 3.620 3.620 3.802 -0.182 19178 670 1 2 . 1 1 71 71 THR C C 71 175.400 175.400 176.622 -1.222 19178 671 1 2 . 1 1 71 71 THR CA C 71 66.405 66.405 66.937 -0.532 19178 672 1 2 . 1 1 71 71 THR CB C 71 68.517 68.517 68.232 0.285 19178 673 1 2 . 1 1 71 71 THR H H 71 7.694 7.694 8.251 -0.557 19178 674 1 2 . 1 1 72 72 GLU N N 72 120.141 120.141 121.076 -0.935 19178 675 1 2 . 1 1 72 72 GLU HA H 72 3.997 3.997 3.908 0.089 19178 676 1 2 . 1 1 72 72 GLU C C 72 178.982 178.982 178.450 0.532 19178 677 1 2 . 1 1 72 72 GLU CA C 72 59.250 59.250 59.292 -0.042 19178 678 1 2 . 1 1 72 72 GLU CB C 72 30.907 30.907 29.091 1.815 19178 679 1 2 . 1 1 72 72 GLU H H 72 7.514 7.514 7.644 -0.130 19178 680 1 2 . 1 1 73 73 ALA N N 73 123.400 123.400 122.307 1.093 19178 681 1 2 . 1 1 73 73 ALA HA H 73 2.167 2.167 3.722 -1.555 19178 682 1 2 . 1 1 73 73 ALA C C 73 178.959 178.959 179.285 -0.326 19178 683 1 2 . 1 1 73 73 ALA CA C 73 54.323 54.323 55.059 -0.736 19178 684 1 2 . 1 1 73 73 ALA CB C 73 17.561 17.561 18.212 -0.651 19178 685 1 2 . 1 1 73 73 ALA H H 73 6.788 6.788 7.426 -0.638 19178 686 1 2 . 1 1 74 74 ARG N N 74 116.272 116.272 118.350 -2.078 19178 687 1 2 . 1 1 74 74 ARG HA H 74 3.887 3.887 3.601 0.286 19178 688 1 2 . 1 1 74 74 ARG C C 74 179.230 179.230 177.940 1.290 19178 689 1 2 . 1 1 74 74 ARG CA C 74 60.442 60.442 59.751 0.692 19178 690 1 2 . 1 1 74 74 ARG CB C 74 29.878 29.878 29.854 0.024 19178 691 1 2 . 1 1 74 74 ARG H H 74 8.145 8.145 8.208 -0.063 19178 692 1 2 . 1 1 75 75 ASP N N 75 120.487 120.487 118.727 1.760 19178 693 1 2 . 1 1 75 75 ASP HA H 75 4.446 4.446 4.397 0.049 19178 694 1 2 . 1 1 75 75 ASP C C 75 178.040 178.040 177.966 0.074 19178 695 1 2 . 1 1 75 75 ASP CA C 75 57.166 57.166 56.886 0.280 19178 696 1 2 . 1 1 75 75 ASP CB C 75 39.687 39.687 40.928 -1.241 19178 697 1 2 . 1 1 75 75 ASP H H 75 8.594 8.594 8.241 0.353 19178 698 1 2 . 1 1 76 76 ALA N N 76 122.773 122.773 123.306 -0.533 19178 699 1 2 . 1 1 76 76 ALA HA H 76 4.345 4.345 4.065 0.280 19178 700 1 2 . 1 1 76 76 ALA C C 76 181.221 181.221 179.679 1.542 19178 701 1 2 . 1 1 76 76 ALA CA C 76 55.245 55.245 55.290 -0.045 19178 702 1 2 . 1 1 76 76 ALA CB C 76 18.316 18.316 18.685 -0.369 19178 703 1 2 . 1 1 76 76 ALA H H 76 7.668 7.668 7.783 -0.115 19178 704 1 2 . 1 1 77 77 ILE N N 77 120.254 120.254 114.967 5.287 19178 705 1 2 . 1 1 77 77 ILE HA H 77 3.632 3.632 3.861 -0.229 19178 706 1 2 . 1 1 77 77 ILE C C 77 176.567 176.567 177.258 -0.691 19178 707 1 2 . 1 1 77 77 ILE CA C 77 66.365 66.365 64.231 2.134 19178 708 1 2 . 1 1 77 77 ILE CB C 77 37.947 37.947 36.927 1.020 19178 709 1 2 . 1 1 77 77 ILE H H 77 7.724 7.724 8.205 -0.481 19178 710 1 2 . 1 1 78 78 LYS N N 78 122.773 122.773 121.414 1.359 19178 711 1 2 . 1 1 78 78 LYS HA H 78 4.265 4.265 3.912 0.353 19178 712 1 2 . 1 1 78 78 LYS C C 78 178.382 178.382 178.591 -0.209 19178 713 1 2 . 1 1 78 78 LYS CA C 78 60.442 60.442 59.270 1.172 19178 714 1 2 . 1 1 78 78 LYS CB C 78 33.021 33.021 31.611 1.410 19178 715 1 2 . 1 1 78 78 LYS H H 78 8.465 8.465 8.164 0.301 19178 716 1 2 . 1 1 79 79 ASP N N 79 118.165 118.165 120.137 -1.972 19178 717 1 2 . 1 1 79 79 ASP HA H 79 4.353 4.353 4.491 -0.138 19178 718 1 2 . 1 1 79 79 ASP C C 79 179.289 179.289 178.049 1.240 19178 719 1 2 . 1 1 79 79 ASP CA C 79 57.245 57.245 57.072 0.173 19178 720 1 2 . 1 1 79 79 ASP H H 79 8.541 8.541 8.279 0.262 19178 721 1 2 . 1 1 80 80 ALA N N 80 122.362 122.362 122.741 -0.379 19178 722 1 2 . 1 1 80 80 ALA HA H 80 4.340 4.340 4.293 0.047 19178 723 1 2 . 1 1 80 80 ALA C C 80 179.265 179.265 180.240 -0.975 19178 724 1 2 . 1 1 80 80 ALA CA C 80 54.979 54.979 55.283 -0.304 19178 725 1 2 . 1 1 80 80 ALA CB C 80 18.254 18.254 18.566 -0.312 19178 726 1 2 . 1 1 80 80 ALA H H 80 7.727 7.727 8.079 -0.352 19178 727 1 2 . 1 1 81 81 TYR N N 81 118.882 118.882 117.977 0.905 19178 728 1 2 . 1 1 81 81 TYR HA H 81 4.115 4.115 4.193 -0.078 19178 729 1 2 . 1 1 81 81 TYR C C 81 178.146 178.146 178.544 -0.398 19178 730 1 2 . 1 1 81 81 TYR CA C 81 61.635 61.635 61.130 0.504 19178 731 1 2 . 1 1 81 81 TYR CB C 81 38.115 38.115 38.156 -0.041 19178 732 1 2 . 1 1 81 81 TYR H H 81 9.037 9.037 9.198 -0.161 19178 733 1 2 . 1 1 82 82 GLU N N 82 116.630 116.630 117.458 -0.828 19178 734 1 2 . 1 1 82 82 GLU HA H 82 3.816 3.816 4.182 -0.366 19178 735 1 2 . 1 1 82 82 GLU C C 82 178.664 178.664 178.172 0.492 19178 736 1 2 . 1 1 82 82 GLU CA C 82 59.304 59.304 58.616 0.688 19178 737 1 2 . 1 1 82 82 GLU CB C 82 28.848 28.848 29.485 -0.637 19178 738 1 2 . 1 1 82 82 GLU H H 82 8.854 8.854 8.122 0.732 19178 739 1 2 . 1 1 83 83 SER N N 83 114.004 114.004 113.850 0.154 19178 740 1 2 . 1 1 83 83 SER HA H 83 4.164 4.164 4.297 -0.133 19178 741 1 2 . 1 1 83 83 SER C C 83 174.387 174.387 175.406 -1.019 19178 742 1 2 . 1 1 83 83 SER CA C 83 61.038 61.038 60.484 0.554 19178 743 1 2 . 1 1 83 83 SER CB C 83 63.152 63.152 63.720 -0.568 19178 744 1 2 . 1 1 83 83 SER H H 83 7.573 7.573 8.205 -0.632 19178 745 1 2 . 1 1 84 84 TYR N N 84 117.323 117.323 118.523 -1.200 19178 746 1 2 . 1 1 84 84 TYR HA H 84 4.595 4.595 4.784 -0.189 19178 747 1 2 . 1 1 84 84 TYR C C 84 174.434 174.434 175.139 -0.705 19178 748 1 2 . 1 1 84 84 TYR CA C 84 58.871 58.871 56.824 2.047 19178 749 1 2 . 1 1 84 84 TYR CB C 84 41.746 41.746 39.392 2.354 19178 750 1 2 . 1 1 84 84 TYR H H 84 7.319 7.319 8.272 -0.953 19178 751 1 2 . 1 1 85 85 CYS N N 85 118.762 118.762 118.055 0.707 19178 752 1 2 . 1 1 85 85 CYS HA H 85 3.940 3.940 3.993 -0.053 19178 753 1 2 . 1 1 85 85 CYS C C 85 176.178 176.178 176.060 0.118 19178 754 1 2 . 1 1 85 85 CYS CA C 85 58.817 58.817 61.437 -2.620 19178 755 1 2 . 1 1 85 85 CYS CB C 85 26.042 26.042 28.097 -2.055 19178 756 1 2 . 1 1 85 85 CYS H H 85 7.670 7.670 8.056 -0.386 19178 757 1 2 . 1 1 86 86 GLY N N 86 113.730 113.730 113.714 0.016 19178 758 1 2 . 1 1 86 86 GLY C C 86 174.587 174.587 174.465 0.122 19178 759 1 2 . 1 1 86 86 GLY CA C 86 45.214 45.214 45.080 0.134 19178 760 1 2 . 1 1 86 86 GLY H H 86 10.799 10.799 8.920 1.879 19178 761 1 2 . 1 1 87 87 ILE N N 87 122.743 122.743 124.761 -2.018 19178 762 1 2 . 1 1 87 87 ILE HA H 87 4.291 4.291 4.136 0.155 19178 763 1 2 . 1 1 87 87 ILE C C 87 174.340 174.340 175.211 -0.871 19178 764 1 2 . 1 1 87 87 ILE CA C 87 60.968 60.968 61.409 -0.441 19178 765 1 2 . 1 1 87 87 ILE CB C 87 35.512 35.512 36.287 -0.775 19178 766 1 2 . 1 1 87 87 ILE H H 87 8.023 8.023 8.133 -0.110 19178 767 1 2 . 1 1 88 88 ASP N N 88 125.059 125.059 124.561 0.498 19178 768 1 2 . 1 1 88 88 ASP HA H 88 4.750 4.750 4.713 0.037 19178 769 1 2 . 1 1 88 88 ASP C C 88 175.895 175.895 175.851 0.044 19178 770 1 2 . 1 1 88 88 ASP CA C 88 54.319 54.319 55.270 -0.951 19178 771 1 2 . 1 1 88 88 ASP CB C 88 41.692 41.692 41.870 -0.178 19178 772 1 2 . 1 1 88 88 ASP H H 88 8.127 8.127 8.136 -0.009 19178 773 1 2 . 1 1 89 89 ASP N N 89 117.971 117.971 117.346 0.625 19178 774 1 2 . 1 1 89 89 ASP HA H 89 4.822 4.822 4.684 0.138 19178 775 1 2 . 1 1 89 89 ASP C C 89 174.069 174.069 175.538 -1.469 19178 776 1 2 . 1 1 89 89 ASP CA C 89 52.369 52.369 53.196 -0.827 19178 777 1 2 . 1 1 89 89 ASP CB C 89 43.625 43.625 44.382 -0.757 19178 778 1 2 . 1 1 89 89 ASP H H 89 7.617 7.617 8.010 -0.393 19178 779 1 2 . 1 1 90 90 CYS N N 90 126.238 126.238 119.519 6.719 19178 780 1 2 . 1 1 90 90 CYS C C 90 175.636 175.636 175.562 0.074 19178 781 1 2 . 1 1 90 90 CYS CA C 90 56.215 56.215 56.914 -0.700 19178 782 1 2 . 1 1 90 90 CYS H H 90 8.936 8.936 8.540 0.396 19178 783 1 2 . 1 1 91 91 PRO HA H 91 4.460 4.460 4.330 0.130 19178 784 1 2 . 1 1 91 91 PRO C C 91 178.629 178.629 178.112 0.517 19178 785 1 2 . 1 1 91 91 PRO CA C 91 64.614 64.614 65.040 -0.426 19178 786 1 2 . 1 1 91 91 PRO CB C 91 32.208 32.208 32.052 0.156 19178 787 1 2 . 1 1 92 92 GLN N N 92 119.363 119.363 118.569 0.794 19178 788 1 2 . 1 1 92 92 GLN HA H 92 4.060 4.060 3.933 0.127 19178 789 1 2 . 1 1 92 92 GLN C C 92 178.181 178.181 178.086 0.095 19178 790 1 2 . 1 1 92 92 GLN CA C 92 57.837 57.837 59.499 -1.662 19178 791 1 2 . 1 1 92 92 GLN CB C 92 28.252 28.252 27.775 0.477 19178 792 1 2 . 1 1 92 92 GLN H H 92 8.253 8.253 8.536 -0.283 19178 793 1 2 . 1 1 93 93 CYS N N 93 124.725 124.725 117.070 7.655 19178 794 1 2 . 1 1 93 93 CYS HA H 93 4.269 4.269 4.492 -0.223 19178 795 1 2 . 1 1 93 93 CYS C C 93 177.180 177.180 175.802 1.378 19178 796 1 2 . 1 1 93 93 CYS CA C 93 64.366 64.366 62.603 1.763 19178 797 1 2 . 1 1 93 93 CYS CB C 93 30.379 30.379 26.444 3.935 19178 798 1 2 . 1 1 93 93 CYS H H 93 8.581 8.581 7.812 0.769 19178 799 1 2 . 1 1 94 94 SER N N 94 113.467 113.467 113.390 0.077 19178 800 1 2 . 1 1 94 94 SER HA H 94 4.277 4.277 4.275 0.002 19178 801 1 2 . 1 1 94 94 SER C C 94 174.481 174.481 175.941 -1.460 19178 802 1 2 . 1 1 94 94 SER CA C 94 59.432 59.432 60.779 -1.347 19178 803 1 2 . 1 1 94 94 SER CB C 94 63.217 63.217 63.244 -0.027 19178 804 1 2 . 1 1 94 94 SER H H 94 7.753 7.753 7.866 -0.113 19178 805 1 2 . 1 1 95 95 LYS N N 95 121.369 121.369 118.529 2.840 19178 806 1 2 . 1 1 95 95 LYS HA H 95 4.211 4.211 4.268 -0.057 19178 807 1 2 . 1 1 95 95 LYS C C 95 176.237 176.237 176.965 -0.728 19178 808 1 2 . 1 1 95 95 LYS CA C 95 56.622 56.622 56.596 0.026 19178 809 1 2 . 1 1 95 95 LYS CB C 95 32.756 32.756 32.872 -0.116 19178 810 1 2 . 1 1 95 95 LYS H H 95 7.520 7.520 7.658 -0.138 19178 811 1 2 . 1 1 96 96 TYR N N 96 121.000 121.000 119.514 1.486 19178 812 1 2 . 1 1 96 96 TYR HA H 96 4.559 4.559 4.508 0.051 19178 813 1 2 . 1 1 96 96 TYR C C 96 175.577 175.577 175.701 -0.124 19178 814 1 2 . 1 1 96 96 TYR CA C 96 58.039 58.039 57.706 0.333 19178 815 1 2 . 1 1 96 96 TYR CB C 96 38.694 38.694 38.256 0.438 19178 816 1 2 . 1 1 96 96 TYR H H 96 8.005 8.005 7.589 0.416 19178 817 1 2 . 1 1 97 97 ILE N N 97 123.003 123.003 125.458 -2.455 19178 818 1 2 . 1 1 97 97 ILE HA H 97 4.120 4.120 4.157 -0.037 19178 819 1 2 . 1 1 97 97 ILE C C 97 175.194 175.194 176.046 -0.852 19178 820 1 2 . 1 1 97 97 ILE CA C 97 60.929 60.929 61.104 -0.175 19178 821 1 2 . 1 1 97 97 ILE CB C 97 39.044 39.044 39.170 -0.126 19178 822 1 2 . 1 1 97 97 ILE H H 97 7.832 7.832 8.368 -0.536 19178 823 1 2 . 1 1 98 98 ASP N N 98 125.070 125.070 124.146 0.924 19178 824 1 2 . 1 1 98 98 ASP HA H 98 4.627 4.627 4.746 -0.119 19178 825 1 2 . 1 1 98 98 ASP C C 98 174.976 174.976 175.153 -0.177 19178 826 1 2 . 1 1 98 98 ASP CA C 98 54.184 54.184 53.839 0.345 19178 827 1 2 . 1 1 98 98 ASP CB C 98 41.502 41.502 40.893 0.609 19178 828 1 2 . 1 1 98 98 ASP H H 98 8.245 8.245 8.447 -0.202 19178 829 1 3 . 1 1 16 16 GLN HA H 16 4.330 4.330 4.154 0.176 19178 830 1 3 . 1 1 17 17 GLU N N 17 119.126 119.126 119.335 -0.209 19178 831 1 3 . 1 1 17 17 GLU HA H 17 4.329 4.329 4.191 0.138 19178 832 1 3 . 1 1 17 17 GLU H H 17 8.422 8.422 8.411 0.011 19178 833 1 3 . 1 1 18 18 GLN N N 18 120.450 120.450 119.647 0.803 19178 834 1 3 . 1 1 18 18 GLN HA H 18 4.081 4.081 4.153 -0.072 19178 835 1 3 . 1 1 18 18 GLN H H 18 8.729 8.729 7.826 0.903 19178 836 1 3 . 1 1 19 19 TRP N N 19 121.902 121.902 121.080 0.822 19178 837 1 3 . 1 1 19 19 TRP HA H 19 4.125 4.125 4.305 -0.180 19178 838 1 3 . 1 1 19 19 TRP C C 19 179.400 179.400 176.882 2.518 19178 839 1 3 . 1 1 19 19 TRP CA C 19 62.361 62.361 61.068 1.293 19178 840 1 3 . 1 1 19 19 TRP CB C 19 29.938 29.938 29.397 0.541 19178 841 1 3 . 1 1 19 19 TRP H H 19 8.561 8.561 8.258 0.303 19178 842 1 3 . 1 1 20 20 ALA N N 20 122.759 122.759 121.093 1.666 19178 843 1 3 . 1 1 20 20 ALA HA H 20 3.815 3.815 3.723 0.092 19178 844 1 3 . 1 1 20 20 ALA C C 20 180.433 180.433 179.431 1.002 19178 845 1 3 . 1 1 20 20 ALA CA C 20 55.619 55.619 54.502 1.117 19178 846 1 3 . 1 1 20 20 ALA CB C 20 18.474 18.474 18.057 0.417 19178 847 1 3 . 1 1 20 20 ALA H H 20 8.828 8.828 7.556 1.272 19178 848 1 3 . 1 1 21 21 MET N N 21 117.474 117.474 117.672 -0.198 19178 849 1 3 . 1 1 21 21 MET HA H 21 4.479 4.479 3.914 0.565 19178 850 1 3 . 1 1 21 21 MET C C 21 178.744 178.744 178.611 0.133 19178 851 1 3 . 1 1 21 21 MET CA C 21 56.778 56.778 58.730 -1.952 19178 852 1 3 . 1 1 21 21 MET CB C 21 29.956 29.956 31.998 -2.042 19178 853 1 3 . 1 1 21 21 MET H H 21 8.702 8.702 8.022 0.680 19178 854 1 3 . 1 1 22 22 GLN N N 22 119.738 119.738 119.426 0.312 19178 855 1 3 . 1 1 22 22 GLN HA H 22 4.025 4.025 3.784 0.241 19178 856 1 3 . 1 1 22 22 GLN C C 22 180.104 180.104 178.061 2.043 19178 857 1 3 . 1 1 22 22 GLN CA C 22 58.872 58.872 59.442 -0.570 19178 858 1 3 . 1 1 22 22 GLN CB C 22 27.880 27.880 28.028 -0.148 19178 859 1 3 . 1 1 22 22 GLN H H 22 8.531 8.531 7.687 0.844 19178 860 1 3 . 1 1 23 23 THR N N 23 117.049 117.049 114.775 2.274 19178 861 1 3 . 1 1 23 23 THR HA H 23 3.715 3.715 3.966 -0.251 19178 862 1 3 . 1 1 23 23 THR C C 23 177.477 177.477 176.466 1.011 19178 863 1 3 . 1 1 23 23 THR CA C 23 66.380 66.380 64.788 1.592 19178 864 1 3 . 1 1 23 23 THR CB C 23 67.579 67.579 68.461 -0.882 19178 865 1 3 . 1 1 23 23 THR H H 23 7.752 7.752 7.489 0.263 19178 866 1 3 . 1 1 24 24 LEU N N 24 125.735 125.735 121.998 3.737 19178 867 1 3 . 1 1 24 24 LEU HA H 24 3.731 3.731 3.859 -0.128 19178 868 1 3 . 1 1 24 24 LEU C C 24 178.544 178.544 179.804 -1.260 19178 869 1 3 . 1 1 24 24 LEU CA C 24 58.882 58.882 58.364 0.518 19178 870 1 3 . 1 1 24 24 LEU CB C 24 41.550 41.550 41.852 -0.302 19178 871 1 3 . 1 1 24 24 LEU H H 24 7.886 7.886 7.637 0.249 19178 872 1 3 . 1 1 25 25 MET N N 25 118.622 118.622 116.961 1.661 19178 873 1 3 . 1 1 25 25 MET HA H 25 4.717 4.717 4.420 0.297 19178 874 1 3 . 1 1 25 25 MET C C 25 181.465 181.465 178.175 3.290 19178 875 1 3 . 1 1 25 25 MET CA C 25 55.604 55.604 58.343 -2.739 19178 876 1 3 . 1 1 25 25 MET CB C 25 32.071 32.071 32.718 -0.646 19178 877 1 3 . 1 1 25 25 MET H H 25 8.619 8.619 8.383 0.236 19178 878 1 3 . 1 1 26 26 GLY N N 26 110.755 110.755 107.633 3.122 19178 879 1 3 . 1 1 26 26 GLY C C 26 174.662 174.662 175.694 -1.032 19178 880 1 3 . 1 1 26 26 GLY CA C 26 46.788 46.788 46.287 0.501 19178 881 1 3 . 1 1 26 26 GLY H H 26 8.953 8.953 7.928 1.025 19178 882 1 3 . 1 1 27 27 SER N N 27 109.977 109.977 115.310 -5.333 19178 883 1 3 . 1 1 27 27 SER HA H 27 4.422 4.422 4.202 0.220 19178 884 1 3 . 1 1 27 27 SER C C 27 175.612 175.612 175.187 0.425 19178 885 1 3 . 1 1 27 27 SER CA C 27 58.309 58.309 59.393 -1.084 19178 886 1 3 . 1 1 27 27 SER CB C 27 64.423 64.423 63.526 0.897 19178 887 1 3 . 1 1 27 27 SER H H 27 7.335 7.335 7.767 -0.432 19178 888 1 3 . 1 1 28 28 GLY N N 28 110.105 110.105 107.662 2.443 19178 889 1 3 . 1 1 28 28 GLY C C 28 174.029 174.029 174.667 -0.638 19178 890 1 3 . 1 1 28 28 GLY CA C 28 45.371 45.371 45.637 -0.266 19178 891 1 3 . 1 1 28 28 GLY H H 28 7.536 7.536 7.898 -0.362 19178 892 1 3 . 1 1 29 29 VAL N N 29 121.444 121.444 119.910 1.534 19178 893 1 3 . 1 1 29 29 VAL HA H 29 4.720 4.720 3.856 0.864 19178 894 1 3 . 1 1 29 29 VAL C C 29 177.149 177.149 175.715 1.434 19178 895 1 3 . 1 1 29 29 VAL CA C 29 66.474 66.474 65.284 1.190 19178 896 1 3 . 1 1 29 29 VAL CB C 29 32.694 32.694 32.328 0.366 19178 897 1 3 . 1 1 29 29 VAL H H 29 7.738 7.738 7.542 0.196 19178 898 1 3 . 1 1 30 30 LEU N N 30 115.594 115.594 115.645 -0.051 19178 899 1 3 . 1 1 30 30 LEU HA H 30 5.349 5.349 4.413 0.936 19178 900 1 3 . 1 1 30 30 LEU C C 30 174.427 174.427 174.941 -0.514 19178 901 1 3 . 1 1 30 30 LEU CA C 30 52.231 52.231 53.251 -1.020 19178 902 1 3 . 1 1 30 30 LEU CB C 30 43.525 43.525 44.168 -0.643 19178 903 1 3 . 1 1 30 30 LEU H H 30 7.090 7.090 7.174 -0.084 19178 904 1 3 . 1 1 31 31 ALA N N 31 122.020 122.020 120.832 1.188 19178 905 1 3 . 1 1 31 31 ALA HA H 31 4.539 4.539 4.686 -0.147 19178 906 1 3 . 1 1 31 31 ALA C C 31 175.130 175.130 175.444 -0.314 19178 907 1 3 . 1 1 31 31 ALA CA C 31 50.963 50.963 51.019 -0.056 19178 908 1 3 . 1 1 31 31 ALA CB C 31 22.314 22.314 21.511 0.803 19178 909 1 3 . 1 1 31 31 ALA H H 31 8.981 8.981 8.422 0.559 19178 910 1 3 . 1 1 32 32 ARG N N 32 118.606 118.606 120.600 -1.994 19178 911 1 3 . 1 1 32 32 ARG HA H 32 5.342 5.342 4.751 0.591 19178 912 1 3 . 1 1 32 32 ARG C C 32 178.051 178.051 175.256 2.795 19178 913 1 3 . 1 1 32 32 ARG CA C 32 54.543 54.543 54.300 0.243 19178 914 1 3 . 1 1 32 32 ARG CB C 32 31.485 31.485 30.608 0.877 19178 915 1 3 . 1 1 32 32 ARG H H 32 8.223 8.223 8.144 0.079 19178 916 1 3 . 1 1 33 33 CYS N N 33 125.750 125.750 124.183 1.567 19178 917 1 3 . 1 1 33 33 CYS HA H 33 4.117 4.117 4.329 -0.212 19178 918 1 3 . 1 1 33 33 CYS C C 33 175.978 175.978 176.955 -0.977 19178 919 1 3 . 1 1 33 33 CYS CA C 33 60.620 60.620 59.500 1.120 19178 920 1 3 . 1 1 33 33 CYS CB C 33 27.213 27.213 28.778 -1.565 19178 921 1 3 . 1 1 33 33 CYS H H 33 8.314 8.314 8.716 -0.402 19178 922 1 3 . 1 1 34 34 ARG N N 34 128.053 128.053 128.096 -0.043 19178 923 1 3 . 1 1 34 34 ARG HA H 34 3.926 3.926 4.022 -0.096 19178 924 1 3 . 1 1 34 34 ARG C C 34 176.565 176.565 176.408 0.157 19178 925 1 3 . 1 1 34 34 ARG CA C 34 58.719 58.719 58.386 0.333 19178 926 1 3 . 1 1 34 34 ARG CB C 34 30.159 30.159 29.590 0.569 19178 927 1 3 . 1 1 34 34 ARG H H 34 8.578 8.578 8.573 0.005 19178 928 1 3 . 1 1 35 35 ILE N N 35 122.502 122.502 119.033 3.469 19178 929 1 3 . 1 1 35 35 ILE HA H 35 3.843 3.843 3.978 -0.135 19178 930 1 3 . 1 1 35 35 ILE C C 35 176.028 176.028 174.762 1.266 19178 931 1 3 . 1 1 35 35 ILE CA C 35 62.035 62.035 61.438 0.597 19178 932 1 3 . 1 1 35 35 ILE CB C 35 39.125 39.125 38.290 0.835 19178 933 1 3 . 1 1 35 35 ILE H H 35 8.932 8.932 7.590 1.342 19178 934 1 3 . 1 1 36 36 HIS N N 36 121.974 121.974 114.989 6.985 19178 935 1 3 . 1 1 36 36 HIS HA H 36 4.569 4.569 4.837 -0.268 19178 936 1 3 . 1 1 36 36 HIS CB C 36 31.187 31.187 29.703 1.484 19178 937 1 3 . 1 1 36 36 HIS H H 36 8.078 8.078 7.432 0.646 19178 938 1 3 . 1 1 37 37 ASN N N 37 119.433 119.433 121.010 -1.577 19178 939 1 3 . 1 1 37 37 ASN HA H 37 4.399 4.399 4.656 -0.257 19178 940 1 3 . 1 1 37 37 ASN C C 37 173.906 173.906 175.438 -1.532 19178 941 1 3 . 1 1 37 37 ASN CA C 37 56.407 56.407 54.278 2.129 19178 942 1 3 . 1 1 37 37 ASN CB C 37 39.331 39.331 38.923 0.408 19178 943 1 3 . 1 1 37 37 ASN H H 37 8.386 8.386 8.701 -0.315 19178 944 1 3 . 1 1 38 38 ASP N N 38 112.673 112.673 118.518 -5.845 19178 945 1 3 . 1 1 38 38 ASP HA H 38 4.385 4.385 4.598 -0.213 19178 946 1 3 . 1 1 38 38 ASP C C 38 175.841 175.841 174.712 1.129 19178 947 1 3 . 1 1 38 38 ASP CA C 38 53.983 53.983 54.426 -0.443 19178 948 1 3 . 1 1 38 38 ASP CB C 38 40.263 40.263 40.537 -0.274 19178 949 1 3 . 1 1 38 38 ASP H H 38 8.880 8.880 8.359 0.521 19178 950 1 3 . 1 1 39 39 VAL N N 39 124.385 124.385 117.356 7.029 19178 951 1 3 . 1 1 39 39 VAL HA H 39 3.944 3.944 4.094 -0.150 19178 952 1 3 . 1 1 39 39 VAL C C 39 173.731 173.731 173.776 -0.045 19178 953 1 3 . 1 1 39 39 VAL CA C 39 63.514 63.514 60.855 2.659 19178 954 1 3 . 1 1 39 39 VAL CB C 39 32.408 32.408 35.310 -2.902 19178 955 1 3 . 1 1 39 39 VAL H H 39 8.253 8.253 7.198 1.055 19178 956 1 3 . 1 1 40 40 ILE N N 40 128.130 128.130 123.183 4.947 19178 957 1 3 . 1 1 40 40 ILE HA H 40 4.222 4.222 4.668 -0.446 19178 958 1 3 . 1 1 40 40 ILE C C 40 174.090 174.090 173.419 0.671 19178 959 1 3 . 1 1 40 40 ILE CA C 40 60.635 60.635 58.617 2.018 19178 960 1 3 . 1 1 40 40 ILE CB C 40 38.281 38.281 40.623 -2.342 19178 961 1 3 . 1 1 40 40 ILE H H 40 7.836 7.836 7.468 0.368 19178 962 1 3 . 1 1 41 41 LEU N N 41 124.924 124.924 128.118 -3.194 19178 963 1 3 . 1 1 41 41 LEU HA H 41 4.884 4.884 4.816 0.068 19178 964 1 3 . 1 1 41 41 LEU C C 41 175.989 175.989 175.274 0.715 19178 965 1 3 . 1 1 41 41 LEU CA C 41 52.654 52.654 52.926 -0.272 19178 966 1 3 . 1 1 41 41 LEU CB C 41 45.122 45.122 45.725 -0.603 19178 967 1 3 . 1 1 41 41 LEU H H 41 8.836 8.836 8.875 -0.039 19178 968 1 3 . 1 1 42 42 ASP N N 42 119.247 119.247 124.894 -5.647 19178 969 1 3 . 1 1 42 42 ASP HA H 42 4.858 4.858 4.641 0.217 19178 970 1 3 . 1 1 42 42 ASP C C 42 176.128 176.128 175.501 0.627 19178 971 1 3 . 1 1 42 42 ASP CA C 42 53.328 53.328 55.153 -1.825 19178 972 1 3 . 1 1 42 42 ASP CB C 42 41.408 41.408 41.379 0.029 19178 973 1 3 . 1 1 42 42 ASP H H 42 8.725 8.725 8.679 0.046 19178 974 1 3 . 1 1 43 43 SER N N 43 123.344 123.344 120.167 3.177 19178 975 1 3 . 1 1 43 43 SER HA H 43 4.178 4.178 4.410 -0.232 19178 976 1 3 . 1 1 43 43 SER C C 43 176.291 176.291 175.624 0.667 19178 977 1 3 . 1 1 43 43 SER CA C 43 60.431 60.431 59.189 1.242 19178 978 1 3 . 1 1 43 43 SER CB C 43 64.943 64.943 63.836 1.107 19178 979 1 3 . 1 1 43 43 SER H H 43 8.462 8.462 8.524 -0.062 19178 980 1 3 . 1 1 44 44 GLY N N 44 112.184 112.184 109.109 3.075 19178 981 1 3 . 1 1 44 44 GLY C C 44 174.525 174.525 174.362 0.163 19178 982 1 3 . 1 1 44 44 GLY CA C 44 45.368 45.368 44.768 0.600 19178 983 1 3 . 1 1 44 44 GLY H H 44 9.230 9.230 8.603 0.627 19178 984 1 3 . 1 1 45 45 ASN N N 45 119.774 119.774 118.895 0.879 19178 985 1 3 . 1 1 45 45 ASN HA H 45 4.681 4.681 4.555 0.126 19178 986 1 3 . 1 1 45 45 ASN C C 45 174.866 174.866 174.689 0.177 19178 987 1 3 . 1 1 45 45 ASN CA C 45 52.807 52.807 54.008 -1.201 19178 988 1 3 . 1 1 45 45 ASN CB C 45 39.241 39.241 39.078 0.164 19178 989 1 3 . 1 1 45 45 ASN H H 45 8.486 8.486 8.037 0.449 19178 990 1 3 . 1 1 46 46 ASP N N 46 120.223 120.223 120.062 0.161 19178 991 1 3 . 1 1 46 46 ASP HA H 46 4.367 4.367 4.521 -0.154 19178 992 1 3 . 1 1 46 46 ASP C C 46 177.272 177.272 176.460 0.812 19178 993 1 3 . 1 1 46 46 ASP CA C 46 54.869 54.869 55.376 -0.507 19178 994 1 3 . 1 1 46 46 ASP CB C 46 42.461 42.461 40.228 2.233 19178 995 1 3 . 1 1 46 46 ASP H H 46 8.387 8.387 8.655 -0.268 19178 996 1 3 . 1 1 47 47 ALA N N 47 126.587 126.587 129.313 -2.726 19178 997 1 3 . 1 1 47 47 ALA HA H 47 3.741 3.741 4.235 -0.494 19178 998 1 3 . 1 1 47 47 ALA C C 47 177.980 177.980 178.720 -0.740 19178 999 1 3 . 1 1 47 47 ALA CA C 47 53.866 53.866 54.156 -0.290 19178 1000 1 3 . 1 1 47 47 ALA CB C 47 16.554 16.554 19.191 -2.637 19178 1001 1 3 . 1 1 47 47 ALA H H 47 8.747 8.747 8.571 0.176 19178 1002 1 3 . 1 1 48 48 SER N N 48 115.463 115.463 114.372 1.091 19178 1003 1 3 . 1 1 48 48 SER HA H 48 4.203 4.203 4.377 -0.174 19178 1004 1 3 . 1 1 48 48 SER CA C 48 61.994 61.994 61.753 0.241 19178 1005 1 3 . 1 1 48 48 SER H H 48 8.973 8.973 8.568 0.405 19178 1006 1 3 . 1 1 49 49 SER C C 49 176.587 176.587 176.337 0.250 19178 1007 1 3 . 1 1 49 49 SER CA C 49 62.279 62.279 61.301 0.978 19178 1008 1 3 . 1 1 50 50 ALA N N 50 125.775 125.775 125.223 0.552 19178 1009 1 3 . 1 1 50 50 ALA HA H 50 4.076 4.076 4.271 -0.195 19178 1010 1 3 . 1 1 50 50 ALA C C 50 179.125 179.125 180.265 -1.140 19178 1011 1 3 . 1 1 50 50 ALA CA C 50 54.822 54.822 54.632 0.190 19178 1012 1 3 . 1 1 50 50 ALA CB C 50 18.834 18.834 18.489 0.345 19178 1013 1 3 . 1 1 50 50 ALA H H 50 7.620 7.620 7.226 0.394 19178 1014 1 3 . 1 1 51 51 TYR N N 51 117.562 117.562 119.114 -1.552 19178 1015 1 3 . 1 1 51 51 TYR HA H 51 4.275 4.275 4.181 0.094 19178 1016 1 3 . 1 1 51 51 TYR C C 51 179.622 179.622 178.365 1.257 19178 1017 1 3 . 1 1 51 51 TYR CA C 51 60.966 60.966 62.097 -1.131 19178 1018 1 3 . 1 1 51 51 TYR CB C 51 36.803 36.803 38.045 -1.242 19178 1019 1 3 . 1 1 51 51 TYR H H 51 7.397 7.397 8.512 -1.115 19178 1020 1 3 . 1 1 52 52 LYS N N 52 121.441 121.441 120.187 1.254 19178 1021 1 3 . 1 1 52 52 LYS HA H 52 4.103 4.103 4.091 0.012 19178 1022 1 3 . 1 1 52 52 LYS C C 52 179.041 179.041 179.192 -0.151 19178 1023 1 3 . 1 1 52 52 LYS CA C 52 59.827 59.827 59.725 0.102 19178 1024 1 3 . 1 1 52 52 LYS H H 52 8.332 8.332 8.639 -0.307 19178 1025 1 3 . 1 1 53 53 LEU N N 53 122.286 122.286 120.160 2.126 19178 1026 1 3 . 1 1 53 53 LEU HA H 53 4.376 4.376 4.420 -0.044 19178 1027 1 3 . 1 1 53 53 LEU C C 53 178.373 178.373 178.704 -0.331 19178 1028 1 3 . 1 1 53 53 LEU CA C 53 57.863 57.863 57.689 0.174 19178 1029 1 3 . 1 1 53 53 LEU CB C 53 41.288 41.288 41.253 0.035 19178 1030 1 3 . 1 1 53 53 LEU H H 53 7.671 7.671 8.301 -0.630 19178 1031 1 3 . 1 1 54 54 GLY N N 54 127.824 127.824 107.469 20.355 19178 1032 1 3 . 1 1 54 54 GLY C C 54 174.865 174.865 176.043 -1.178 19178 1033 1 3 . 1 1 54 54 GLY CA C 54 47.971 47.971 47.627 0.344 19178 1034 1 3 . 1 1 54 54 GLY H H 54 9.020 9.020 8.585 0.435 19178 1035 1 3 . 1 1 55 55 THR N N 55 117.961 117.961 119.316 -1.355 19178 1036 1 3 . 1 1 55 55 THR HA H 55 4.445 4.445 4.224 0.221 19178 1037 1 3 . 1 1 55 55 THR C C 55 175.188 175.188 176.098 -0.910 19178 1038 1 3 . 1 1 55 55 THR CA C 55 67.593 67.593 67.954 -0.361 19178 1039 1 3 . 1 1 55 55 THR H H 55 8.123 8.123 8.658 -0.535 19178 1040 1 3 . 1 1 56 56 TYR N N 56 122.294 122.294 123.416 -1.122 19178 1041 1 3 . 1 1 56 56 TYR HA H 56 4.346 4.346 4.206 0.140 19178 1042 1 3 . 1 1 56 56 TYR C C 56 177.909 177.909 176.864 1.045 19178 1043 1 3 . 1 1 56 56 TYR CA C 56 61.147 61.147 59.802 1.345 19178 1044 1 3 . 1 1 56 56 TYR CB C 56 37.981 37.981 38.006 -0.025 19178 1045 1 3 . 1 1 56 56 TYR H H 56 7.697 7.697 8.115 -0.418 19178 1046 1 3 . 1 1 57 57 LEU N N 57 118.703 118.703 118.306 0.397 19178 1047 1 3 . 1 1 57 57 LEU HA H 57 3.914 3.914 3.819 0.095 19178 1048 1 3 . 1 1 57 57 LEU C C 57 180.087 180.087 178.871 1.216 19178 1049 1 3 . 1 1 57 57 LEU CA C 57 57.780 57.780 57.653 0.127 19178 1050 1 3 . 1 1 57 57 LEU CB C 57 42.026 42.026 42.034 -0.008 19178 1051 1 3 . 1 1 57 57 LEU H H 57 8.909 8.909 7.920 0.989 19178 1052 1 3 . 1 1 58 58 TYR N N 58 120.667 120.667 116.748 3.919 19178 1053 1 3 . 1 1 58 58 TYR HA H 58 4.209 4.209 4.327 -0.118 19178 1054 1 3 . 1 1 58 58 TYR C C 58 177.511 177.511 176.376 1.135 19178 1055 1 3 . 1 1 58 58 TYR CA C 58 61.641 61.641 60.567 1.074 19178 1056 1 3 . 1 1 58 58 TYR H H 58 8.971 8.971 8.239 0.732 19178 1057 1 3 . 1 1 59 59 GLN N N 59 119.344 119.344 118.827 0.517 19178 1058 1 3 . 1 1 59 59 GLN HA H 59 4.668 4.668 4.656 0.012 19178 1059 1 3 . 1 1 59 59 GLN C C 59 179.270 179.270 174.380 4.890 19178 1060 1 3 . 1 1 59 59 GLN H H 59 8.378 8.378 7.965 0.413 19178 1061 1 3 . 1 1 67 67 PHE HA H 67 4.852 4.852 4.222 0.630 19178 1062 1 3 . 1 1 67 67 PHE C C 67 175.889 175.889 176.433 -0.544 19178 1063 1 3 . 1 1 67 67 PHE CA C 67 55.576 55.576 59.945 -4.369 19178 1064 1 3 . 1 1 67 67 PHE CB C 67 42.444 42.444 39.563 2.881 19178 1065 1 3 . 1 1 68 68 ASN N N 68 120.775 120.775 117.906 2.869 19178 1066 1 3 . 1 1 68 68 ASN C C 68 175.338 175.338 174.775 0.563 19178 1067 1 3 . 1 1 68 68 ASN CA C 68 55.092 55.092 53.773 1.319 19178 1068 1 3 . 1 1 68 68 ASN CB C 68 40.006 40.006 39.267 0.739 19178 1069 1 3 . 1 1 68 68 ASN H H 68 9.560 9.560 8.321 1.239 19178 1070 1 3 . 1 1 69 69 THR N N 69 127.914 127.914 118.211 9.703 19178 1071 1 3 . 1 1 69 69 THR HA H 69 4.732 4.732 4.262 0.470 19178 1072 1 3 . 1 1 69 69 THR C C 69 173.530 173.530 176.231 -2.701 19178 1073 1 3 . 1 1 69 69 THR CA C 69 58.877 58.877 61.702 -2.825 19178 1074 1 3 . 1 1 69 69 THR CB C 69 73.620 73.620 69.798 3.822 19178 1075 1 3 . 1 1 69 69 THR H H 69 7.237 7.237 8.188 -0.951 19178 1076 1 3 . 1 1 70 70 LEU N N 70 122.013 122.013 130.386 -8.373 19178 1077 1 3 . 1 1 70 70 LEU HA H 70 3.005 3.005 4.399 -1.394 19178 1078 1 3 . 1 1 70 70 LEU C C 70 178.252 178.252 177.401 0.851 19178 1079 1 3 . 1 1 70 70 LEU CA C 70 56.721 56.721 56.784 -0.063 19178 1080 1 3 . 1 1 70 70 LEU CB C 70 41.199 41.199 41.945 -0.746 19178 1081 1 3 . 1 1 70 70 LEU H H 70 8.614 8.614 8.836 -0.222 19178 1082 1 3 . 1 1 71 71 THR N N 71 114.041 114.041 116.017 -1.976 19178 1083 1 3 . 1 1 71 71 THR HA H 71 3.620 3.620 3.935 -0.315 19178 1084 1 3 . 1 1 71 71 THR C C 71 175.400 175.400 176.797 -1.397 19178 1085 1 3 . 1 1 71 71 THR CA C 71 66.405 66.405 66.621 -0.215 19178 1086 1 3 . 1 1 71 71 THR CB C 71 68.517 68.517 67.902 0.615 19178 1087 1 3 . 1 1 71 71 THR H H 71 7.694 7.694 7.934 -0.240 19178 1088 1 3 . 1 1 72 72 GLU N N 72 120.141 120.141 120.961 -0.820 19178 1089 1 3 . 1 1 72 72 GLU HA H 72 3.997 3.997 4.039 -0.042 19178 1090 1 3 . 1 1 72 72 GLU C C 72 178.982 178.982 178.205 0.777 19178 1091 1 3 . 1 1 72 72 GLU CA C 72 59.250 59.250 59.191 0.059 19178 1092 1 3 . 1 1 72 72 GLU CB C 72 30.907 30.907 29.053 1.854 19178 1093 1 3 . 1 1 72 72 GLU H H 72 7.514 7.514 7.502 0.012 19178 1094 1 3 . 1 1 73 73 ALA N N 73 123.400 123.400 122.160 1.240 19178 1095 1 3 . 1 1 73 73 ALA HA H 73 2.167 2.167 3.302 -1.135 19178 1096 1 3 . 1 1 73 73 ALA C C 73 178.959 178.959 179.222 -0.263 19178 1097 1 3 . 1 1 73 73 ALA CA C 73 54.323 54.323 55.099 -0.776 19178 1098 1 3 . 1 1 73 73 ALA CB C 73 17.561 17.561 17.907 -0.346 19178 1099 1 3 . 1 1 73 73 ALA H H 73 6.788 6.788 7.424 -0.636 19178 1100 1 3 . 1 1 74 74 ARG N N 74 116.272 116.272 119.063 -2.791 19178 1101 1 3 . 1 1 74 74 ARG HA H 74 3.887 3.887 4.187 -0.300 19178 1102 1 3 . 1 1 74 74 ARG C C 74 179.230 179.230 178.095 1.135 19178 1103 1 3 . 1 1 74 74 ARG CA C 74 60.442 60.442 58.983 1.459 19178 1104 1 3 . 1 1 74 74 ARG CB C 74 29.878 29.878 29.914 -0.036 19178 1105 1 3 . 1 1 74 74 ARG H H 74 8.145 8.145 8.526 -0.381 19178 1106 1 3 . 1 1 75 75 ASP N N 75 120.487 120.487 119.519 0.968 19178 1107 1 3 . 1 1 75 75 ASP HA H 75 4.446 4.446 4.480 -0.034 19178 1108 1 3 . 1 1 75 75 ASP C C 75 178.040 178.040 177.959 0.081 19178 1109 1 3 . 1 1 75 75 ASP CA C 75 57.166 57.166 57.060 0.106 19178 1110 1 3 . 1 1 75 75 ASP CB C 75 39.687 39.687 40.759 -1.072 19178 1111 1 3 . 1 1 75 75 ASP H H 75 8.594 8.594 7.983 0.611 19178 1112 1 3 . 1 1 76 76 ALA N N 76 122.773 122.773 123.103 -0.330 19178 1113 1 3 . 1 1 76 76 ALA HA H 76 4.345 4.345 4.123 0.222 19178 1114 1 3 . 1 1 76 76 ALA C C 76 181.221 181.221 179.644 1.577 19178 1115 1 3 . 1 1 76 76 ALA CA C 76 55.245 55.245 55.332 -0.087 19178 1116 1 3 . 1 1 76 76 ALA CB C 76 18.316 18.316 18.826 -0.510 19178 1117 1 3 . 1 1 76 76 ALA H H 76 7.668 7.668 7.891 -0.223 19178 1118 1 3 . 1 1 77 77 ILE N N 77 120.254 120.254 115.434 4.820 19178 1119 1 3 . 1 1 77 77 ILE HA H 77 3.632 3.632 3.820 -0.188 19178 1120 1 3 . 1 1 77 77 ILE C C 77 176.567 176.567 177.415 -0.848 19178 1121 1 3 . 1 1 77 77 ILE CA C 77 66.365 66.365 64.372 1.993 19178 1122 1 3 . 1 1 77 77 ILE CB C 77 37.947 37.947 36.937 1.010 19178 1123 1 3 . 1 1 77 77 ILE H H 77 7.724 7.724 8.305 -0.581 19178 1124 1 3 . 1 1 78 78 LYS N N 78 122.773 122.773 121.857 0.916 19178 1125 1 3 . 1 1 78 78 LYS HA H 78 4.265 4.265 3.941 0.324 19178 1126 1 3 . 1 1 78 78 LYS C C 78 178.382 178.382 178.498 -0.116 19178 1127 1 3 . 1 1 78 78 LYS CA C 78 60.442 60.442 60.128 0.314 19178 1128 1 3 . 1 1 78 78 LYS CB C 78 33.021 33.021 32.307 0.714 19178 1129 1 3 . 1 1 78 78 LYS H H 78 8.465 8.465 8.444 0.021 19178 1130 1 3 . 1 1 79 79 ASP N N 79 118.165 118.165 119.294 -1.129 19178 1131 1 3 . 1 1 79 79 ASP HA H 79 4.353 4.353 4.529 -0.176 19178 1132 1 3 . 1 1 79 79 ASP C C 79 179.289 179.289 178.197 1.092 19178 1133 1 3 . 1 1 79 79 ASP CA C 79 57.245 57.245 56.938 0.307 19178 1134 1 3 . 1 1 79 79 ASP H H 79 8.541 8.541 8.104 0.437 19178 1135 1 3 . 1 1 80 80 ALA N N 80 122.362 122.362 123.081 -0.719 19178 1136 1 3 . 1 1 80 80 ALA HA H 80 4.340 4.340 4.154 0.186 19178 1137 1 3 . 1 1 80 80 ALA C C 80 179.265 179.265 179.846 -0.581 19178 1138 1 3 . 1 1 80 80 ALA CA C 80 54.979 54.979 55.575 -0.596 19178 1139 1 3 . 1 1 80 80 ALA CB C 80 18.254 18.254 18.666 -0.412 19178 1140 1 3 . 1 1 80 80 ALA H H 80 7.727 7.727 8.380 -0.653 19178 1141 1 3 . 1 1 81 81 TYR N N 81 118.882 118.882 118.299 0.583 19178 1142 1 3 . 1 1 81 81 TYR HA H 81 4.115 4.115 4.214 -0.099 19178 1143 1 3 . 1 1 81 81 TYR C C 81 178.146 178.146 178.647 -0.501 19178 1144 1 3 . 1 1 81 81 TYR CA C 81 61.635 61.635 60.536 1.099 19178 1145 1 3 . 1 1 81 81 TYR CB C 81 38.115 38.115 38.048 0.067 19178 1146 1 3 . 1 1 81 81 TYR H H 81 9.037 9.037 8.983 0.054 19178 1147 1 3 . 1 1 82 82 GLU N N 82 116.630 116.630 117.969 -1.339 19178 1148 1 3 . 1 1 82 82 GLU HA H 82 3.816 3.816 4.154 -0.338 19178 1149 1 3 . 1 1 82 82 GLU C C 82 178.664 178.664 178.487 0.177 19178 1150 1 3 . 1 1 82 82 GLU CA C 82 59.304 59.304 58.694 0.610 19178 1151 1 3 . 1 1 82 82 GLU CB C 82 28.848 28.848 29.374 -0.526 19178 1152 1 3 . 1 1 82 82 GLU H H 82 8.854 8.854 8.205 0.649 19178 1153 1 3 . 1 1 83 83 SER N N 83 114.004 114.004 114.387 -0.383 19178 1154 1 3 . 1 1 83 83 SER HA H 83 4.164 4.164 4.204 -0.040 19178 1155 1 3 . 1 1 83 83 SER C C 83 174.387 174.387 175.696 -1.309 19178 1156 1 3 . 1 1 83 83 SER CA C 83 61.038 61.038 61.470 -0.432 19178 1157 1 3 . 1 1 83 83 SER CB C 83 63.152 63.152 63.761 -0.609 19178 1158 1 3 . 1 1 83 83 SER H H 83 7.573 7.573 8.250 -0.677 19178 1159 1 3 . 1 1 84 84 TYR N N 84 117.323 117.323 117.366 -0.043 19178 1160 1 3 . 1 1 84 84 TYR HA H 84 4.595 4.595 4.705 -0.110 19178 1161 1 3 . 1 1 84 84 TYR C C 84 174.434 174.434 175.307 -0.873 19178 1162 1 3 . 1 1 84 84 TYR CA C 84 58.871 58.871 56.955 1.916 19178 1163 1 3 . 1 1 84 84 TYR CB C 84 41.746 41.746 39.221 2.525 19178 1164 1 3 . 1 1 84 84 TYR H H 84 7.319 7.319 8.259 -0.940 19178 1165 1 3 . 1 1 85 85 CYS N N 85 118.762 118.762 119.622 -0.860 19178 1166 1 3 . 1 1 85 85 CYS HA H 85 3.940 3.940 4.330 -0.390 19178 1167 1 3 . 1 1 85 85 CYS C C 85 176.178 176.178 176.367 -0.189 19178 1168 1 3 . 1 1 85 85 CYS CA C 85 58.817 58.817 62.028 -3.211 19178 1169 1 3 . 1 1 85 85 CYS CB C 85 26.042 26.042 28.449 -2.407 19178 1170 1 3 . 1 1 85 85 CYS H H 85 7.670 7.670 8.125 -0.455 19178 1171 1 3 . 1 1 86 86 GLY N N 86 113.730 113.730 115.979 -2.249 19178 1172 1 3 . 1 1 86 86 GLY C C 86 174.587 174.587 173.785 0.802 19178 1173 1 3 . 1 1 86 86 GLY CA C 86 45.214 45.214 44.912 0.302 19178 1174 1 3 . 1 1 86 86 GLY H H 86 10.799 10.799 8.487 2.312 19178 1175 1 3 . 1 1 87 87 ILE N N 87 122.743 122.743 124.056 -1.313 19178 1176 1 3 . 1 1 87 87 ILE HA H 87 4.291 4.291 4.397 -0.106 19178 1177 1 3 . 1 1 87 87 ILE C C 87 174.340 174.340 174.736 -0.396 19178 1178 1 3 . 1 1 87 87 ILE CA C 87 60.968 60.968 60.619 0.349 19178 1179 1 3 . 1 1 87 87 ILE CB C 87 35.512 35.512 37.959 -2.447 19178 1180 1 3 . 1 1 87 87 ILE H H 87 8.023 8.023 8.168 -0.145 19178 1181 1 3 . 1 1 88 88 ASP N N 88 125.059 125.059 127.575 -2.516 19178 1182 1 3 . 1 1 88 88 ASP HA H 88 4.750 4.750 4.776 -0.026 19178 1183 1 3 . 1 1 88 88 ASP C C 88 175.895 175.895 175.135 0.760 19178 1184 1 3 . 1 1 88 88 ASP CA C 88 54.319 54.319 54.796 -0.477 19178 1185 1 3 . 1 1 88 88 ASP CB C 88 41.692 41.692 42.173 -0.481 19178 1186 1 3 . 1 1 88 88 ASP H H 88 8.127 8.127 8.844 -0.717 19178 1187 1 3 . 1 1 89 89 ASP N N 89 117.971 117.971 119.126 -1.155 19178 1188 1 3 . 1 1 89 89 ASP HA H 89 4.822 4.822 4.776 0.046 19178 1189 1 3 . 1 1 89 89 ASP C C 89 174.069 174.069 175.290 -1.221 19178 1190 1 3 . 1 1 89 89 ASP CA C 89 52.369 52.369 53.450 -1.081 19178 1191 1 3 . 1 1 89 89 ASP CB C 89 43.625 43.625 44.281 -0.655 19178 1192 1 3 . 1 1 89 89 ASP H H 89 7.617 7.617 7.897 -0.280 19178 1193 1 3 . 1 1 90 90 CYS N N 90 126.238 126.238 120.824 5.414 19178 1194 1 3 . 1 1 90 90 CYS C C 90 175.636 175.636 175.753 -0.117 19178 1195 1 3 . 1 1 90 90 CYS CA C 90 56.215 56.215 56.032 0.183 19178 1196 1 3 . 1 1 90 90 CYS H H 90 8.936 8.936 8.847 0.089 19178 1197 1 3 . 1 1 91 91 PRO HA H 91 4.460 4.460 4.335 0.125 19178 1198 1 3 . 1 1 91 91 PRO C C 91 178.629 178.629 178.362 0.267 19178 1199 1 3 . 1 1 91 91 PRO CA C 91 64.614 64.614 65.369 -0.755 19178 1200 1 3 . 1 1 91 91 PRO CB C 91 32.208 32.208 32.073 0.135 19178 1201 1 3 . 1 1 92 92 GLN N N 92 119.363 119.363 119.164 0.199 19178 1202 1 3 . 1 1 92 92 GLN HA H 92 4.060 4.060 4.290 -0.230 19178 1203 1 3 . 1 1 92 92 GLN C C 92 178.181 178.181 178.176 0.005 19178 1204 1 3 . 1 1 92 92 GLN CA C 92 57.837 57.837 58.809 -0.972 19178 1205 1 3 . 1 1 92 92 GLN CB C 92 28.252 28.252 28.201 0.051 19178 1206 1 3 . 1 1 92 92 GLN H H 92 8.253 8.253 8.584 -0.331 19178 1207 1 3 . 1 1 93 93 CYS N N 93 124.725 124.725 118.348 6.377 19178 1208 1 3 . 1 1 93 93 CYS HA H 93 4.269 4.269 4.140 0.129 19178 1209 1 3 . 1 1 93 93 CYS C C 93 177.180 177.180 176.539 0.641 19178 1210 1 3 . 1 1 93 93 CYS CA C 93 64.366 64.366 60.733 3.633 19178 1211 1 3 . 1 1 93 93 CYS CB C 93 30.379 30.379 26.063 4.316 19178 1212 1 3 . 1 1 93 93 CYS H H 93 8.581 8.581 8.451 0.130 19178 1213 1 3 . 1 1 94 94 SER N N 94 113.467 113.467 114.775 -1.308 19178 1214 1 3 . 1 1 94 94 SER HA H 94 4.277 4.277 4.399 -0.122 19178 1215 1 3 . 1 1 94 94 SER C C 94 174.481 174.481 175.535 -1.054 19178 1216 1 3 . 1 1 94 94 SER CA C 94 59.432 59.432 60.704 -1.272 19178 1217 1 3 . 1 1 94 94 SER CB C 94 63.217 63.217 63.474 -0.257 19178 1218 1 3 . 1 1 94 94 SER H H 94 7.753 7.753 7.776 -0.023 19178 1219 1 3 . 1 1 95 95 LYS N N 95 121.369 121.369 120.829 0.540 19178 1220 1 3 . 1 1 95 95 LYS HA H 95 4.211 4.211 4.291 -0.080 19178 1221 1 3 . 1 1 95 95 LYS C C 95 176.237 176.237 176.946 -0.709 19178 1222 1 3 . 1 1 95 95 LYS CA C 95 56.622 56.622 56.228 0.394 19178 1223 1 3 . 1 1 95 95 LYS CB C 95 32.756 32.756 33.188 -0.432 19178 1224 1 3 . 1 1 95 95 LYS H H 95 7.520 7.520 7.750 -0.230 19178 1225 1 3 . 1 1 96 96 TYR N N 96 121.000 121.000 119.492 1.508 19178 1226 1 3 . 1 1 96 96 TYR HA H 96 4.559 4.559 4.528 0.031 19178 1227 1 3 . 1 1 96 96 TYR C C 96 175.577 175.577 174.853 0.724 19178 1228 1 3 . 1 1 96 96 TYR CA C 96 58.039 58.039 56.309 1.730 19178 1229 1 3 . 1 1 96 96 TYR CB C 96 38.694 38.694 38.749 -0.055 19178 1230 1 3 . 1 1 96 96 TYR H H 96 8.005 8.005 7.943 0.062 19178 1231 1 3 . 1 1 97 97 ILE N N 97 123.003 123.003 120.432 2.571 19178 1232 1 3 . 1 1 97 97 ILE HA H 97 4.120 4.120 3.966 0.154 19178 1233 1 3 . 1 1 97 97 ILE C C 97 175.194 175.194 174.071 1.123 19178 1234 1 3 . 1 1 97 97 ILE CA C 97 60.929 60.929 59.721 1.208 19178 1235 1 3 . 1 1 97 97 ILE CB C 97 39.044 39.044 41.201 -2.157 19178 1236 1 3 . 1 1 97 97 ILE H H 97 7.832 7.832 7.785 0.047 19178 1237 1 3 . 1 1 98 98 ASP N N 98 125.070 125.070 127.895 -2.825 19178 1238 1 3 . 1 1 98 98 ASP HA H 98 4.627 4.627 4.353 0.274 19178 1239 1 3 . 1 1 98 98 ASP C C 98 174.976 174.976 175.314 -0.338 19178 1240 1 3 . 1 1 98 98 ASP CA C 98 54.184 54.184 53.584 0.600 19178 1241 1 3 . 1 1 98 98 ASP CB C 98 41.502 41.502 40.880 0.622 19178 1242 1 3 . 1 1 98 98 ASP H H 98 8.245 8.245 8.174 0.071 19178 1243 1 4 . 1 1 16 16 GLN HA H 16 4.330 4.330 4.239 0.091 19178 1244 1 4 . 1 1 17 17 GLU N N 17 119.126 119.126 120.286 -1.160 19178 1245 1 4 . 1 1 17 17 GLU HA H 17 4.329 4.329 4.265 0.064 19178 1246 1 4 . 1 1 17 17 GLU H H 17 8.422 8.422 8.833 -0.411 19178 1247 1 4 . 1 1 18 18 GLN N N 18 120.450 120.450 119.281 1.169 19178 1248 1 4 . 1 1 18 18 GLN HA H 18 4.081 4.081 4.205 -0.124 19178 1249 1 4 . 1 1 18 18 GLN H H 18 8.729 8.729 8.527 0.202 19178 1250 1 4 . 1 1 19 19 TRP N N 19 121.902 121.902 121.570 0.332 19178 1251 1 4 . 1 1 19 19 TRP HA H 19 4.125 4.125 4.299 -0.174 19178 1252 1 4 . 1 1 19 19 TRP C C 19 179.400 179.400 178.518 0.882 19178 1253 1 4 . 1 1 19 19 TRP CA C 19 62.361 62.361 60.863 1.498 19178 1254 1 4 . 1 1 19 19 TRP CB C 19 29.938 29.938 29.189 0.750 19178 1255 1 4 . 1 1 19 19 TRP H H 19 8.561 8.561 8.576 -0.015 19178 1256 1 4 . 1 1 20 20 ALA N N 20 122.759 122.759 122.467 0.292 19178 1257 1 4 . 1 1 20 20 ALA HA H 20 3.815 3.815 3.625 0.190 19178 1258 1 4 . 1 1 20 20 ALA C C 20 180.433 180.433 178.275 2.158 19178 1259 1 4 . 1 1 20 20 ALA CA C 20 55.619 55.619 54.653 0.966 19178 1260 1 4 . 1 1 20 20 ALA CB C 20 18.474 18.474 18.082 0.392 19178 1261 1 4 . 1 1 20 20 ALA H H 20 8.828 8.828 7.886 0.942 19178 1262 1 4 . 1 1 21 21 MET N N 21 117.474 117.474 117.504 -0.030 19178 1263 1 4 . 1 1 21 21 MET HA H 21 4.479 4.479 4.052 0.427 19178 1264 1 4 . 1 1 21 21 MET C C 21 178.744 178.744 177.549 1.195 19178 1265 1 4 . 1 1 21 21 MET CA C 21 56.778 56.778 57.366 -0.588 19178 1266 1 4 . 1 1 21 21 MET CB C 21 29.956 29.956 32.181 -2.225 19178 1267 1 4 . 1 1 21 21 MET H H 21 8.702 8.702 7.529 1.173 19178 1268 1 4 . 1 1 22 22 GLN N N 22 119.738 119.738 120.152 -0.414 19178 1269 1 4 . 1 1 22 22 GLN HA H 22 4.025 4.025 3.688 0.337 19178 1270 1 4 . 1 1 22 22 GLN C C 22 180.104 180.104 177.760 2.344 19178 1271 1 4 . 1 1 22 22 GLN CA C 22 58.872 58.872 59.680 -0.808 19178 1272 1 4 . 1 1 22 22 GLN CB C 22 27.880 27.880 27.969 -0.089 19178 1273 1 4 . 1 1 22 22 GLN H H 22 8.531 8.531 7.625 0.906 19178 1274 1 4 . 1 1 23 23 THR N N 23 117.049 117.049 115.988 1.061 19178 1275 1 4 . 1 1 23 23 THR HA H 23 3.715 3.715 3.878 -0.163 19178 1276 1 4 . 1 1 23 23 THR C C 23 177.477 177.477 176.509 0.968 19178 1277 1 4 . 1 1 23 23 THR CA C 23 66.380 66.380 65.612 0.768 19178 1278 1 4 . 1 1 23 23 THR CB C 23 67.579 67.579 68.303 -0.724 19178 1279 1 4 . 1 1 23 23 THR H H 23 7.752 7.752 7.941 -0.189 19178 1280 1 4 . 1 1 24 24 LEU N N 24 125.735 125.735 122.042 3.693 19178 1281 1 4 . 1 1 24 24 LEU HA H 24 3.731 3.731 3.817 -0.086 19178 1282 1 4 . 1 1 24 24 LEU C C 24 178.544 178.544 179.498 -0.954 19178 1283 1 4 . 1 1 24 24 LEU CA C 24 58.882 58.882 58.165 0.717 19178 1284 1 4 . 1 1 24 24 LEU CB C 24 41.550 41.550 41.767 -0.217 19178 1285 1 4 . 1 1 24 24 LEU H H 24 7.886 7.886 7.463 0.423 19178 1286 1 4 . 1 1 25 25 MET N N 25 118.622 118.622 118.384 0.238 19178 1287 1 4 . 1 1 25 25 MET HA H 25 4.717 4.717 4.269 0.448 19178 1288 1 4 . 1 1 25 25 MET C C 25 181.465 181.465 178.406 3.059 19178 1289 1 4 . 1 1 25 25 MET CA C 25 55.604 55.604 58.529 -2.925 19178 1290 1 4 . 1 1 25 25 MET CB C 25 32.071 32.071 32.638 -0.567 19178 1291 1 4 . 1 1 25 25 MET H H 25 8.619 8.619 8.494 0.125 19178 1292 1 4 . 1 1 26 26 GLY N N 26 110.755 110.755 107.488 3.267 19178 1293 1 4 . 1 1 26 26 GLY C C 26 174.662 174.662 176.035 -1.373 19178 1294 1 4 . 1 1 26 26 GLY CA C 26 46.788 46.788 46.877 -0.089 19178 1295 1 4 . 1 1 26 26 GLY H H 26 8.953 8.953 8.469 0.484 19178 1296 1 4 . 1 1 27 27 SER N N 27 109.977 109.977 116.217 -6.240 19178 1297 1 4 . 1 1 27 27 SER HA H 27 4.422 4.422 4.261 0.161 19178 1298 1 4 . 1 1 27 27 SER C C 27 175.612 175.612 174.902 0.710 19178 1299 1 4 . 1 1 27 27 SER CA C 27 58.309 58.309 59.522 -1.213 19178 1300 1 4 . 1 1 27 27 SER CB C 27 64.423 64.423 63.411 1.012 19178 1301 1 4 . 1 1 27 27 SER H H 27 7.335 7.335 7.790 -0.455 19178 1302 1 4 . 1 1 28 28 GLY N N 28 110.105 110.105 107.398 2.707 19178 1303 1 4 . 1 1 28 28 GLY C C 28 174.029 174.029 174.887 -0.858 19178 1304 1 4 . 1 1 28 28 GLY CA C 28 45.371 45.371 45.614 -0.243 19178 1305 1 4 . 1 1 28 28 GLY H H 28 7.536 7.536 8.073 -0.537 19178 1306 1 4 . 1 1 29 29 VAL N N 29 121.444 121.444 119.700 1.744 19178 1307 1 4 . 1 1 29 29 VAL HA H 29 4.720 4.720 3.854 0.866 19178 1308 1 4 . 1 1 29 29 VAL C C 29 177.149 177.149 175.467 1.682 19178 1309 1 4 . 1 1 29 29 VAL CA C 29 66.474 66.474 65.317 1.157 19178 1310 1 4 . 1 1 29 29 VAL CB C 29 32.694 32.694 32.539 0.155 19178 1311 1 4 . 1 1 29 29 VAL H H 29 7.738 7.738 7.508 0.230 19178 1312 1 4 . 1 1 30 30 LEU N N 30 115.594 115.594 115.527 0.067 19178 1313 1 4 . 1 1 30 30 LEU HA H 30 5.349 5.349 4.312 1.037 19178 1314 1 4 . 1 1 30 30 LEU C C 30 174.427 174.427 174.521 -0.094 19178 1315 1 4 . 1 1 30 30 LEU CA C 30 52.231 52.231 53.145 -0.914 19178 1316 1 4 . 1 1 30 30 LEU CB C 30 43.525 43.525 44.649 -1.124 19178 1317 1 4 . 1 1 30 30 LEU H H 30 7.090 7.090 7.194 -0.104 19178 1318 1 4 . 1 1 31 31 ALA N N 31 122.020 122.020 121.141 0.879 19178 1319 1 4 . 1 1 31 31 ALA HA H 31 4.539 4.539 4.720 -0.181 19178 1320 1 4 . 1 1 31 31 ALA C C 31 175.130 175.130 175.474 -0.344 19178 1321 1 4 . 1 1 31 31 ALA CA C 31 50.963 50.963 51.033 -0.070 19178 1322 1 4 . 1 1 31 31 ALA CB C 31 22.314 22.314 20.939 1.375 19178 1323 1 4 . 1 1 31 31 ALA H H 31 8.981 8.981 8.372 0.609 19178 1324 1 4 . 1 1 32 32 ARG N N 32 118.606 118.606 120.333 -1.727 19178 1325 1 4 . 1 1 32 32 ARG HA H 32 5.342 5.342 4.612 0.730 19178 1326 1 4 . 1 1 32 32 ARG C C 32 178.051 178.051 174.899 3.152 19178 1327 1 4 . 1 1 32 32 ARG CA C 32 54.543 54.543 54.163 0.380 19178 1328 1 4 . 1 1 32 32 ARG CB C 32 31.485 31.485 32.524 -1.039 19178 1329 1 4 . 1 1 32 32 ARG H H 32 8.223 8.223 8.143 0.080 19178 1330 1 4 . 1 1 33 33 CYS N N 33 125.750 125.750 121.468 4.282 19178 1331 1 4 . 1 1 33 33 CYS HA H 33 4.117 4.117 4.563 -0.446 19178 1332 1 4 . 1 1 33 33 CYS C C 33 175.978 175.978 175.581 0.397 19178 1333 1 4 . 1 1 33 33 CYS CA C 33 60.620 60.620 58.844 1.776 19178 1334 1 4 . 1 1 33 33 CYS CB C 33 27.213 27.213 29.734 -2.521 19178 1335 1 4 . 1 1 33 33 CYS H H 33 8.314 8.314 8.463 -0.149 19178 1336 1 4 . 1 1 34 34 ARG N N 34 128.053 128.053 125.395 2.658 19178 1337 1 4 . 1 1 34 34 ARG HA H 34 3.926 3.926 4.187 -0.261 19178 1338 1 4 . 1 1 34 34 ARG C C 34 176.565 176.565 177.062 -0.497 19178 1339 1 4 . 1 1 34 34 ARG CA C 34 58.719 58.719 57.854 0.865 19178 1340 1 4 . 1 1 34 34 ARG CB C 34 30.159 30.159 30.022 0.137 19178 1341 1 4 . 1 1 34 34 ARG H H 34 8.578 8.578 8.657 -0.079 19178 1342 1 4 . 1 1 35 35 ILE N N 35 122.502 122.502 116.085 6.417 19178 1343 1 4 . 1 1 35 35 ILE HA H 35 3.843 3.843 3.942 -0.099 19178 1344 1 4 . 1 1 35 35 ILE C C 35 176.028 176.028 175.083 0.945 19178 1345 1 4 . 1 1 35 35 ILE CA C 35 62.035 62.035 60.706 1.329 19178 1346 1 4 . 1 1 35 35 ILE CB C 35 39.125 39.125 38.879 0.246 19178 1347 1 4 . 1 1 35 35 ILE H H 35 8.932 8.932 7.093 1.839 19178 1348 1 4 . 1 1 36 36 HIS N N 36 121.974 121.974 118.196 3.778 19178 1349 1 4 . 1 1 36 36 HIS HA H 36 4.569 4.569 4.874 -0.305 19178 1350 1 4 . 1 1 36 36 HIS CB C 36 31.187 31.187 29.747 1.440 19178 1351 1 4 . 1 1 36 36 HIS H H 36 8.078 8.078 6.988 1.090 19178 1352 1 4 . 1 1 37 37 ASN N N 37 119.433 119.433 120.325 -0.892 19178 1353 1 4 . 1 1 37 37 ASN HA H 37 4.399 4.399 4.613 -0.214 19178 1354 1 4 . 1 1 37 37 ASN C C 37 173.906 173.906 174.972 -1.066 19178 1355 1 4 . 1 1 37 37 ASN CA C 37 56.407 56.407 53.706 2.701 19178 1356 1 4 . 1 1 37 37 ASN CB C 37 39.331 39.331 39.716 -0.385 19178 1357 1 4 . 1 1 37 37 ASN H H 37 8.386 8.386 8.582 -0.196 19178 1358 1 4 . 1 1 38 38 ASP N N 38 112.673 112.673 116.107 -3.434 19178 1359 1 4 . 1 1 38 38 ASP HA H 38 4.385 4.385 4.852 -0.467 19178 1360 1 4 . 1 1 38 38 ASP C C 38 175.841 175.841 174.784 1.057 19178 1361 1 4 . 1 1 38 38 ASP CA C 38 53.983 53.983 53.345 0.638 19178 1362 1 4 . 1 1 38 38 ASP CB C 38 40.263 40.263 40.407 -0.145 19178 1363 1 4 . 1 1 38 38 ASP H H 38 8.880 8.880 8.353 0.527 19178 1364 1 4 . 1 1 39 39 VAL N N 39 124.385 124.385 119.155 5.230 19178 1365 1 4 . 1 1 39 39 VAL HA H 39 3.944 3.944 4.070 -0.126 19178 1366 1 4 . 1 1 39 39 VAL C C 39 173.731 173.731 174.553 -0.822 19178 1367 1 4 . 1 1 39 39 VAL CA C 39 63.514 63.514 61.014 2.500 19178 1368 1 4 . 1 1 39 39 VAL CB C 39 32.408 32.408 35.021 -2.613 19178 1369 1 4 . 1 1 39 39 VAL H H 39 8.253 8.253 7.196 1.057 19178 1370 1 4 . 1 1 40 40 ILE N N 40 128.130 128.130 125.441 2.689 19178 1371 1 4 . 1 1 40 40 ILE HA H 40 4.222 4.222 4.207 0.015 19178 1372 1 4 . 1 1 40 40 ILE C C 40 174.090 174.090 173.968 0.122 19178 1373 1 4 . 1 1 40 40 ILE CA C 40 60.635 60.635 59.648 0.987 19178 1374 1 4 . 1 1 40 40 ILE CB C 40 38.281 38.281 39.597 -1.316 19178 1375 1 4 . 1 1 40 40 ILE H H 40 7.836 7.836 7.775 0.061 19178 1376 1 4 . 1 1 41 41 LEU N N 41 124.924 124.924 127.238 -2.314 19178 1377 1 4 . 1 1 41 41 LEU HA H 41 4.884 4.884 4.974 -0.090 19178 1378 1 4 . 1 1 41 41 LEU C C 41 175.989 175.989 175.781 0.208 19178 1379 1 4 . 1 1 41 41 LEU CA C 41 52.654 52.654 52.570 0.084 19178 1380 1 4 . 1 1 41 41 LEU CB C 41 45.122 45.122 44.934 0.188 19178 1381 1 4 . 1 1 41 41 LEU H H 41 8.836 8.836 8.617 0.219 19178 1382 1 4 . 1 1 42 42 ASP N N 42 119.247 119.247 119.255 -0.008 19178 1383 1 4 . 1 1 42 42 ASP HA H 42 4.858 4.858 4.707 0.151 19178 1384 1 4 . 1 1 42 42 ASP C C 42 176.128 176.128 176.233 -0.105 19178 1385 1 4 . 1 1 42 42 ASP CA C 42 53.328 53.328 53.728 -0.400 19178 1386 1 4 . 1 1 42 42 ASP CB C 42 41.408 41.408 41.278 0.130 19178 1387 1 4 . 1 1 42 42 ASP H H 42 8.725 8.725 8.803 -0.077 19178 1388 1 4 . 1 1 43 43 SER N N 43 123.344 123.344 120.853 2.491 19178 1389 1 4 . 1 1 43 43 SER HA H 43 4.178 4.178 4.460 -0.282 19178 1390 1 4 . 1 1 43 43 SER C C 43 176.291 176.291 175.330 0.961 19178 1391 1 4 . 1 1 43 43 SER CA C 43 60.431 60.431 59.334 1.097 19178 1392 1 4 . 1 1 43 43 SER CB C 43 64.943 64.943 64.261 0.682 19178 1393 1 4 . 1 1 43 43 SER H H 43 8.462 8.462 8.640 -0.178 19178 1394 1 4 . 1 1 44 44 GLY N N 44 112.184 112.184 109.588 2.596 19178 1395 1 4 . 1 1 44 44 GLY C C 44 174.525 174.525 173.973 0.552 19178 1396 1 4 . 1 1 44 44 GLY CA C 44 45.368 45.368 44.909 0.459 19178 1397 1 4 . 1 1 44 44 GLY H H 44 9.230 9.230 8.770 0.460 19178 1398 1 4 . 1 1 45 45 ASN N N 45 119.774 119.774 118.075 1.699 19178 1399 1 4 . 1 1 45 45 ASN HA H 45 4.681 4.681 4.863 -0.182 19178 1400 1 4 . 1 1 45 45 ASN C C 45 174.866 174.866 174.472 0.394 19178 1401 1 4 . 1 1 45 45 ASN CA C 45 52.807 52.807 52.406 0.402 19178 1402 1 4 . 1 1 45 45 ASN CB C 45 39.241 39.241 39.693 -0.452 19178 1403 1 4 . 1 1 45 45 ASN H H 45 8.486 8.486 7.977 0.509 19178 1404 1 4 . 1 1 46 46 ASP N N 46 120.223 120.223 118.893 1.330 19178 1405 1 4 . 1 1 46 46 ASP HA H 46 4.367 4.367 4.541 -0.174 19178 1406 1 4 . 1 1 46 46 ASP C C 46 177.272 177.272 176.233 1.039 19178 1407 1 4 . 1 1 46 46 ASP CA C 46 54.869 54.869 54.556 0.313 19178 1408 1 4 . 1 1 46 46 ASP CB C 46 42.461 42.461 39.991 2.470 19178 1409 1 4 . 1 1 46 46 ASP H H 46 8.387 8.387 8.656 -0.269 19178 1410 1 4 . 1 1 47 47 ALA N N 47 126.587 126.587 128.285 -1.698 19178 1411 1 4 . 1 1 47 47 ALA HA H 47 3.741 3.741 4.104 -0.363 19178 1412 1 4 . 1 1 47 47 ALA C C 47 177.980 177.980 179.333 -1.353 19178 1413 1 4 . 1 1 47 47 ALA CA C 47 53.866 53.866 54.254 -0.388 19178 1414 1 4 . 1 1 47 47 ALA CB C 47 16.554 16.554 18.771 -2.217 19178 1415 1 4 . 1 1 47 47 ALA H H 47 8.747 8.747 8.688 0.059 19178 1416 1 4 . 1 1 48 48 SER N N 48 115.463 115.463 114.006 1.457 19178 1417 1 4 . 1 1 48 48 SER HA H 48 4.203 4.203 4.440 -0.237 19178 1418 1 4 . 1 1 48 48 SER CA C 48 61.994 61.994 61.519 0.475 19178 1419 1 4 . 1 1 48 48 SER H H 48 8.973 8.973 8.538 0.435 19178 1420 1 4 . 1 1 49 49 SER C C 49 176.587 176.587 176.136 0.451 19178 1421 1 4 . 1 1 49 49 SER CA C 49 62.279 62.279 60.836 1.443 19178 1422 1 4 . 1 1 50 50 ALA N N 50 125.775 125.775 124.786 0.989 19178 1423 1 4 . 1 1 50 50 ALA HA H 50 4.076 4.076 4.167 -0.091 19178 1424 1 4 . 1 1 50 50 ALA C C 50 179.125 179.125 179.932 -0.807 19178 1425 1 4 . 1 1 50 50 ALA CA C 50 54.822 54.822 54.457 0.365 19178 1426 1 4 . 1 1 50 50 ALA CB C 50 18.834 18.834 18.229 0.605 19178 1427 1 4 . 1 1 50 50 ALA H H 50 7.620 7.620 7.848 -0.228 19178 1428 1 4 . 1 1 51 51 TYR N N 51 117.562 117.562 118.886 -1.324 19178 1429 1 4 . 1 1 51 51 TYR HA H 51 4.275 4.275 4.199 0.076 19178 1430 1 4 . 1 1 51 51 TYR C C 51 179.622 179.622 177.995 1.627 19178 1431 1 4 . 1 1 51 51 TYR CA C 51 60.966 60.966 61.711 -0.745 19178 1432 1 4 . 1 1 51 51 TYR CB C 51 36.803 36.803 38.071 -1.268 19178 1433 1 4 . 1 1 51 51 TYR H H 51 7.397 7.397 8.420 -1.023 19178 1434 1 4 . 1 1 52 52 LYS N N 52 121.441 121.441 120.765 0.676 19178 1435 1 4 . 1 1 52 52 LYS HA H 52 4.103 4.103 4.075 0.028 19178 1436 1 4 . 1 1 52 52 LYS C C 52 179.041 179.041 179.060 -0.019 19178 1437 1 4 . 1 1 52 52 LYS CA C 52 59.827 59.827 59.696 0.131 19178 1438 1 4 . 1 1 52 52 LYS H H 52 8.332 8.332 8.491 -0.159 19178 1439 1 4 . 1 1 53 53 LEU N N 53 122.286 122.286 120.470 1.816 19178 1440 1 4 . 1 1 53 53 LEU HA H 53 4.376 4.376 4.334 0.042 19178 1441 1 4 . 1 1 53 53 LEU C C 53 178.373 178.373 178.809 -0.436 19178 1442 1 4 . 1 1 53 53 LEU CA C 53 57.863 57.863 57.498 0.365 19178 1443 1 4 . 1 1 53 53 LEU CB C 53 41.288 41.288 41.122 0.166 19178 1444 1 4 . 1 1 53 53 LEU H H 53 7.671 7.671 8.480 -0.809 19178 1445 1 4 . 1 1 54 54 GLY N N 54 127.824 127.824 107.744 20.080 19178 1446 1 4 . 1 1 54 54 GLY C C 54 174.865 174.865 176.209 -1.344 19178 1447 1 4 . 1 1 54 54 GLY CA C 54 47.971 47.971 47.529 0.442 19178 1448 1 4 . 1 1 54 54 GLY H H 54 9.020 9.020 8.578 0.442 19178 1449 1 4 . 1 1 55 55 THR N N 55 117.961 117.961 118.977 -1.016 19178 1450 1 4 . 1 1 55 55 THR HA H 55 4.445 4.445 4.353 0.092 19178 1451 1 4 . 1 1 55 55 THR C C 55 175.188 175.188 176.078 -0.890 19178 1452 1 4 . 1 1 55 55 THR CA C 55 67.593 67.593 66.989 0.604 19178 1453 1 4 . 1 1 55 55 THR H H 55 8.123 8.123 8.560 -0.437 19178 1454 1 4 . 1 1 56 56 TYR N N 56 122.294 122.294 123.711 -1.417 19178 1455 1 4 . 1 1 56 56 TYR HA H 56 4.346 4.346 4.158 0.188 19178 1456 1 4 . 1 1 56 56 TYR C C 56 177.909 177.909 177.078 0.831 19178 1457 1 4 . 1 1 56 56 TYR CA C 56 61.147 61.147 61.564 -0.417 19178 1458 1 4 . 1 1 56 56 TYR CB C 56 37.981 37.981 38.120 -0.139 19178 1459 1 4 . 1 1 56 56 TYR H H 56 7.697 7.697 8.222 -0.525 19178 1460 1 4 . 1 1 57 57 LEU N N 57 118.703 118.703 118.977 -0.274 19178 1461 1 4 . 1 1 57 57 LEU HA H 57 3.914 3.914 3.737 0.177 19178 1462 1 4 . 1 1 57 57 LEU C C 57 180.087 180.087 178.403 1.684 19178 1463 1 4 . 1 1 57 57 LEU CA C 57 57.780 57.780 57.892 -0.112 19178 1464 1 4 . 1 1 57 57 LEU CB C 57 42.026 42.026 41.941 0.084 19178 1465 1 4 . 1 1 57 57 LEU H H 57 8.909 8.909 8.026 0.883 19178 1466 1 4 . 1 1 58 58 TYR N N 58 120.667 120.667 118.515 2.152 19178 1467 1 4 . 1 1 58 58 TYR HA H 58 4.209 4.209 4.105 0.104 19178 1468 1 4 . 1 1 58 58 TYR C C 58 177.511 177.511 177.213 0.298 19178 1469 1 4 . 1 1 58 58 TYR CA C 58 61.641 61.641 60.860 0.781 19178 1470 1 4 . 1 1 58 58 TYR H H 58 8.971 8.971 8.282 0.689 19178 1471 1 4 . 1 1 59 59 GLN N N 59 119.344 119.344 117.833 1.511 19178 1472 1 4 . 1 1 59 59 GLN HA H 59 4.668 4.668 4.430 0.238 19178 1473 1 4 . 1 1 59 59 GLN C C 59 179.270 179.270 176.141 3.129 19178 1474 1 4 . 1 1 59 59 GLN H H 59 8.378 8.378 8.057 0.321 19178 1475 1 4 . 1 1 67 67 PHE HA H 67 4.852 4.852 4.628 0.224 19178 1476 1 4 . 1 1 67 67 PHE C C 67 175.889 175.889 176.651 -0.762 19178 1477 1 4 . 1 1 67 67 PHE CA C 67 55.576 55.576 58.223 -2.647 19178 1478 1 4 . 1 1 67 67 PHE CB C 67 42.444 42.444 39.762 2.682 19178 1479 1 4 . 1 1 68 68 ASN N N 68 120.775 120.775 120.093 0.682 19178 1480 1 4 . 1 1 68 68 ASN C C 68 175.338 175.338 174.577 0.761 19178 1481 1 4 . 1 1 68 68 ASN CA C 68 55.092 55.092 53.754 1.339 19178 1482 1 4 . 1 1 68 68 ASN CB C 68 40.006 40.006 38.288 1.718 19178 1483 1 4 . 1 1 68 68 ASN H H 68 9.560 9.560 8.100 1.460 19178 1484 1 4 . 1 1 69 69 THR N N 69 127.914 127.914 113.165 14.749 19178 1485 1 4 . 1 1 69 69 THR HA H 69 4.732 4.732 4.371 0.361 19178 1486 1 4 . 1 1 69 69 THR C C 69 173.530 173.530 175.287 -1.757 19178 1487 1 4 . 1 1 69 69 THR CA C 69 58.877 58.877 60.865 -1.988 19178 1488 1 4 . 1 1 69 69 THR CB C 69 73.620 73.620 70.163 3.457 19178 1489 1 4 . 1 1 69 69 THR H H 69 7.237 7.237 7.939 -0.702 19178 1490 1 4 . 1 1 70 70 LEU N N 70 122.013 122.013 128.853 -6.840 19178 1491 1 4 . 1 1 70 70 LEU HA H 70 3.005 3.005 4.367 -1.362 19178 1492 1 4 . 1 1 70 70 LEU C C 70 178.252 178.252 178.113 0.139 19178 1493 1 4 . 1 1 70 70 LEU CA C 70 56.721 56.721 57.355 -0.634 19178 1494 1 4 . 1 1 70 70 LEU CB C 70 41.199 41.199 41.597 -0.398 19178 1495 1 4 . 1 1 70 70 LEU H H 70 8.614 8.614 8.939 -0.325 19178 1496 1 4 . 1 1 71 71 THR N N 71 114.041 114.041 114.525 -0.484 19178 1497 1 4 . 1 1 71 71 THR HA H 71 3.620 3.620 3.911 -0.291 19178 1498 1 4 . 1 1 71 71 THR C C 71 175.400 175.400 176.587 -1.187 19178 1499 1 4 . 1 1 71 71 THR CA C 71 66.405 66.405 66.903 -0.497 19178 1500 1 4 . 1 1 71 71 THR CB C 71 68.517 68.517 68.344 0.173 19178 1501 1 4 . 1 1 71 71 THR H H 71 7.694 7.694 8.113 -0.419 19178 1502 1 4 . 1 1 72 72 GLU N N 72 120.141 120.141 120.967 -0.826 19178 1503 1 4 . 1 1 72 72 GLU HA H 72 3.997 3.997 4.039 -0.042 19178 1504 1 4 . 1 1 72 72 GLU C C 72 178.982 178.982 178.085 0.897 19178 1505 1 4 . 1 1 72 72 GLU CA C 72 59.250 59.250 59.551 -0.301 19178 1506 1 4 . 1 1 72 72 GLU CB C 72 30.907 30.907 29.171 1.736 19178 1507 1 4 . 1 1 72 72 GLU H H 72 7.514 7.514 7.645 -0.131 19178 1508 1 4 . 1 1 73 73 ALA N N 73 123.400 123.400 122.190 1.210 19178 1509 1 4 . 1 1 73 73 ALA HA H 73 2.167 2.167 3.659 -1.492 19178 1510 1 4 . 1 1 73 73 ALA C C 73 178.959 178.959 179.462 -0.503 19178 1511 1 4 . 1 1 73 73 ALA CA C 73 54.323 54.323 55.141 -0.818 19178 1512 1 4 . 1 1 73 73 ALA CB C 73 17.561 17.561 18.374 -0.813 19178 1513 1 4 . 1 1 73 73 ALA H H 73 6.788 6.788 7.186 -0.398 19178 1514 1 4 . 1 1 74 74 ARG N N 74 116.272 116.272 118.007 -1.735 19178 1515 1 4 . 1 1 74 74 ARG HA H 74 3.887 3.887 4.328 -0.441 19178 1516 1 4 . 1 1 74 74 ARG C C 74 179.230 179.230 178.093 1.137 19178 1517 1 4 . 1 1 74 74 ARG CA C 74 60.442 60.442 59.106 1.336 19178 1518 1 4 . 1 1 74 74 ARG CB C 74 29.878 29.878 29.485 0.393 19178 1519 1 4 . 1 1 74 74 ARG H H 74 8.145 8.145 8.809 -0.664 19178 1520 1 4 . 1 1 75 75 ASP N N 75 120.487 120.487 119.478 1.009 19178 1521 1 4 . 1 1 75 75 ASP HA H 75 4.446 4.446 4.453 -0.007 19178 1522 1 4 . 1 1 75 75 ASP C C 75 178.040 178.040 177.636 0.404 19178 1523 1 4 . 1 1 75 75 ASP CA C 75 57.166 57.166 56.891 0.275 19178 1524 1 4 . 1 1 75 75 ASP CB C 75 39.687 39.687 41.095 -1.408 19178 1525 1 4 . 1 1 75 75 ASP H H 75 8.594 8.594 8.251 0.343 19178 1526 1 4 . 1 1 76 76 ALA N N 76 122.773 122.773 123.167 -0.394 19178 1527 1 4 . 1 1 76 76 ALA HA H 76 4.345 4.345 4.082 0.263 19178 1528 1 4 . 1 1 76 76 ALA C C 76 181.221 181.221 179.523 1.698 19178 1529 1 4 . 1 1 76 76 ALA CA C 76 55.245 55.245 55.249 -0.004 19178 1530 1 4 . 1 1 76 76 ALA CB C 76 18.316 18.316 18.688 -0.372 19178 1531 1 4 . 1 1 76 76 ALA H H 76 7.668 7.668 7.758 -0.090 19178 1532 1 4 . 1 1 77 77 ILE N N 77 120.254 120.254 114.788 5.466 19178 1533 1 4 . 1 1 77 77 ILE HA H 77 3.632 3.632 3.811 -0.179 19178 1534 1 4 . 1 1 77 77 ILE C C 77 176.567 176.567 177.364 -0.797 19178 1535 1 4 . 1 1 77 77 ILE CA C 77 66.365 66.365 63.891 2.474 19178 1536 1 4 . 1 1 77 77 ILE CB C 77 37.947 37.947 37.194 0.753 19178 1537 1 4 . 1 1 77 77 ILE H H 77 7.724 7.724 8.323 -0.599 19178 1538 1 4 . 1 1 78 78 LYS N N 78 122.773 122.773 121.490 1.283 19178 1539 1 4 . 1 1 78 78 LYS HA H 78 4.265 4.265 3.934 0.331 19178 1540 1 4 . 1 1 78 78 LYS C C 78 178.382 178.382 178.433 -0.051 19178 1541 1 4 . 1 1 78 78 LYS CA C 78 60.442 60.442 59.770 0.672 19178 1542 1 4 . 1 1 78 78 LYS CB C 78 33.021 33.021 32.174 0.847 19178 1543 1 4 . 1 1 78 78 LYS H H 78 8.465 8.465 8.059 0.406 19178 1544 1 4 . 1 1 79 79 ASP N N 79 118.165 118.165 120.068 -1.903 19178 1545 1 4 . 1 1 79 79 ASP HA H 79 4.353 4.353 4.467 -0.114 19178 1546 1 4 . 1 1 79 79 ASP C C 79 179.289 179.289 177.951 1.338 19178 1547 1 4 . 1 1 79 79 ASP CA C 79 57.245 57.245 56.842 0.403 19178 1548 1 4 . 1 1 79 79 ASP H H 79 8.541 8.541 7.973 0.568 19178 1549 1 4 . 1 1 80 80 ALA N N 80 122.362 122.362 122.696 -0.334 19178 1550 1 4 . 1 1 80 80 ALA HA H 80 4.340 4.340 4.173 0.167 19178 1551 1 4 . 1 1 80 80 ALA C C 80 179.265 179.265 180.202 -0.937 19178 1552 1 4 . 1 1 80 80 ALA CA C 80 54.979 54.979 55.311 -0.332 19178 1553 1 4 . 1 1 80 80 ALA CB C 80 18.254 18.254 18.535 -0.281 19178 1554 1 4 . 1 1 80 80 ALA H H 80 7.727 7.727 8.099 -0.372 19178 1555 1 4 . 1 1 81 81 TYR N N 81 118.882 118.882 117.960 0.922 19178 1556 1 4 . 1 1 81 81 TYR HA H 81 4.115 4.115 4.199 -0.084 19178 1557 1 4 . 1 1 81 81 TYR C C 81 178.146 178.146 178.988 -0.842 19178 1558 1 4 . 1 1 81 81 TYR CA C 81 61.635 61.635 60.262 1.373 19178 1559 1 4 . 1 1 81 81 TYR CB C 81 38.115 38.115 37.850 0.265 19178 1560 1 4 . 1 1 81 81 TYR H H 81 9.037 9.037 8.932 0.105 19178 1561 1 4 . 1 1 82 82 GLU N N 82 116.630 116.630 117.655 -1.025 19178 1562 1 4 . 1 1 82 82 GLU HA H 82 3.816 3.816 4.208 -0.392 19178 1563 1 4 . 1 1 82 82 GLU C C 82 178.664 178.664 178.583 0.081 19178 1564 1 4 . 1 1 82 82 GLU CA C 82 59.304 59.304 58.784 0.520 19178 1565 1 4 . 1 1 82 82 GLU CB C 82 28.848 28.848 29.377 -0.529 19178 1566 1 4 . 1 1 82 82 GLU H H 82 8.854 8.854 8.038 0.816 19178 1567 1 4 . 1 1 83 83 SER N N 83 114.004 114.004 113.464 0.540 19178 1568 1 4 . 1 1 83 83 SER HA H 83 4.164 4.164 4.269 -0.105 19178 1569 1 4 . 1 1 83 83 SER C C 83 174.387 174.387 175.310 -0.923 19178 1570 1 4 . 1 1 83 83 SER CA C 83 61.038 61.038 60.605 0.433 19178 1571 1 4 . 1 1 83 83 SER CB C 83 63.152 63.152 63.650 -0.498 19178 1572 1 4 . 1 1 83 83 SER H H 83 7.573 7.573 8.186 -0.613 19178 1573 1 4 . 1 1 84 84 TYR N N 84 117.323 117.323 117.927 -0.604 19178 1574 1 4 . 1 1 84 84 TYR HA H 84 4.595 4.595 4.703 -0.108 19178 1575 1 4 . 1 1 84 84 TYR C C 84 174.434 174.434 175.151 -0.717 19178 1576 1 4 . 1 1 84 84 TYR CA C 84 58.871 58.871 57.291 1.580 19178 1577 1 4 . 1 1 84 84 TYR CB C 84 41.746 41.746 39.560 2.186 19178 1578 1 4 . 1 1 84 84 TYR H H 84 7.319 7.319 8.167 -0.848 19178 1579 1 4 . 1 1 85 85 CYS N N 85 118.762 118.762 119.257 -0.495 19178 1580 1 4 . 1 1 85 85 CYS HA H 85 3.940 3.940 4.090 -0.150 19178 1581 1 4 . 1 1 85 85 CYS C C 85 176.178 176.178 176.092 0.086 19178 1582 1 4 . 1 1 85 85 CYS CA C 85 58.817 58.817 62.134 -3.317 19178 1583 1 4 . 1 1 85 85 CYS CB C 85 26.042 26.042 28.212 -2.170 19178 1584 1 4 . 1 1 85 85 CYS H H 85 7.670 7.670 8.133 -0.463 19178 1585 1 4 . 1 1 86 86 GLY N N 86 113.730 113.730 115.996 -2.266 19178 1586 1 4 . 1 1 86 86 GLY C C 86 174.587 174.587 173.937 0.650 19178 1587 1 4 . 1 1 86 86 GLY CA C 86 45.214 45.214 44.842 0.372 19178 1588 1 4 . 1 1 86 86 GLY H H 86 10.799 10.799 8.845 1.954 19178 1589 1 4 . 1 1 87 87 ILE N N 87 122.743 122.743 121.081 1.662 19178 1590 1 4 . 1 1 87 87 ILE HA H 87 4.291 4.291 4.355 -0.064 19178 1591 1 4 . 1 1 87 87 ILE C C 87 174.340 174.340 174.636 -0.296 19178 1592 1 4 . 1 1 87 87 ILE CA C 87 60.968 60.968 60.117 0.851 19178 1593 1 4 . 1 1 87 87 ILE CB C 87 35.512 35.512 38.324 -2.812 19178 1594 1 4 . 1 1 87 87 ILE H H 87 8.023 8.023 7.468 0.555 19178 1595 1 4 . 1 1 88 88 ASP N N 88 125.059 125.059 125.499 -0.440 19178 1596 1 4 . 1 1 88 88 ASP HA H 88 4.750 4.750 4.822 -0.072 19178 1597 1 4 . 1 1 88 88 ASP C C 88 175.895 175.895 175.500 0.395 19178 1598 1 4 . 1 1 88 88 ASP CA C 88 54.319 54.319 56.346 -2.027 19178 1599 1 4 . 1 1 88 88 ASP CB C 88 41.692 41.692 41.881 -0.189 19178 1600 1 4 . 1 1 88 88 ASP H H 88 8.127 8.127 8.964 -0.837 19178 1601 1 4 . 1 1 89 89 ASP N N 89 117.971 117.971 114.955 3.016 19178 1602 1 4 . 1 1 89 89 ASP HA H 89 4.822 4.822 4.619 0.203 19178 1603 1 4 . 1 1 89 89 ASP C C 89 174.069 174.069 174.294 -0.225 19178 1604 1 4 . 1 1 89 89 ASP CA C 89 52.369 52.369 52.804 -0.435 19178 1605 1 4 . 1 1 89 89 ASP CB C 89 43.625 43.625 43.182 0.443 19178 1606 1 4 . 1 1 89 89 ASP H H 89 7.617 7.617 7.837 -0.220 19178 1607 1 4 . 1 1 90 90 CYS N N 90 126.238 126.238 120.162 6.076 19178 1608 1 4 . 1 1 90 90 CYS C C 90 175.636 175.636 175.252 0.384 19178 1609 1 4 . 1 1 90 90 CYS CA C 90 56.215 56.215 56.560 -0.345 19178 1610 1 4 . 1 1 90 90 CYS H H 90 8.936 8.936 8.411 0.525 19178 1611 1 4 . 1 1 91 91 PRO HA H 91 4.460 4.460 4.219 0.241 19178 1612 1 4 . 1 1 91 91 PRO C C 91 178.629 178.629 178.312 0.317 19178 1613 1 4 . 1 1 91 91 PRO CA C 91 64.614 64.614 64.871 -0.257 19178 1614 1 4 . 1 1 91 91 PRO CB C 91 32.208 32.208 32.182 0.026 19178 1615 1 4 . 1 1 92 92 GLN N N 92 119.363 119.363 118.461 0.902 19178 1616 1 4 . 1 1 92 92 GLN HA H 92 4.060 4.060 3.910 0.150 19178 1617 1 4 . 1 1 92 92 GLN C C 92 178.181 178.181 178.458 -0.277 19178 1618 1 4 . 1 1 92 92 GLN CA C 92 57.837 57.837 59.379 -1.542 19178 1619 1 4 . 1 1 92 92 GLN CB C 92 28.252 28.252 28.151 0.101 19178 1620 1 4 . 1 1 92 92 GLN H H 92 8.253 8.253 8.721 -0.468 19178 1621 1 4 . 1 1 93 93 CYS N N 93 124.725 124.725 114.510 10.215 19178 1622 1 4 . 1 1 93 93 CYS HA H 93 4.269 4.269 4.455 -0.186 19178 1623 1 4 . 1 1 93 93 CYS C C 93 177.180 177.180 176.723 0.457 19178 1624 1 4 . 1 1 93 93 CYS CA C 93 64.366 64.366 61.914 2.452 19178 1625 1 4 . 1 1 93 93 CYS CB C 93 30.379 30.379 26.041 4.338 19178 1626 1 4 . 1 1 93 93 CYS H H 93 8.581 8.581 8.204 0.377 19178 1627 1 4 . 1 1 94 94 SER N N 94 113.467 113.467 112.366 1.101 19178 1628 1 4 . 1 1 94 94 SER HA H 94 4.277 4.277 4.369 -0.092 19178 1629 1 4 . 1 1 94 94 SER C C 94 174.481 174.481 175.537 -1.056 19178 1630 1 4 . 1 1 94 94 SER CA C 94 59.432 59.432 60.472 -1.040 19178 1631 1 4 . 1 1 94 94 SER CB C 94 63.217 63.217 63.102 0.115 19178 1632 1 4 . 1 1 94 94 SER H H 94 7.753 7.753 7.761 -0.008 19178 1633 1 4 . 1 1 95 95 LYS N N 95 121.369 121.369 119.393 1.976 19178 1634 1 4 . 1 1 95 95 LYS HA H 95 4.211 4.211 4.154 0.057 19178 1635 1 4 . 1 1 95 95 LYS C C 95 176.237 176.237 175.416 0.821 19178 1636 1 4 . 1 1 95 95 LYS CA C 95 56.622 56.622 56.348 0.274 19178 1637 1 4 . 1 1 95 95 LYS CB C 95 32.756 32.756 33.011 -0.256 19178 1638 1 4 . 1 1 95 95 LYS H H 95 7.520 7.520 7.608 -0.088 19178 1639 1 4 . 1 1 96 96 TYR N N 96 121.000 121.000 116.930 4.070 19178 1640 1 4 . 1 1 96 96 TYR HA H 96 4.559 4.559 4.692 -0.133 19178 1641 1 4 . 1 1 96 96 TYR C C 96 175.577 175.577 174.744 0.833 19178 1642 1 4 . 1 1 96 96 TYR CA C 96 58.039 58.039 56.394 1.645 19178 1643 1 4 . 1 1 96 96 TYR CB C 96 38.694 38.694 40.630 -1.936 19178 1644 1 4 . 1 1 96 96 TYR H H 96 8.005 8.005 7.668 0.337 19178 1645 1 4 . 1 1 97 97 ILE N N 97 123.003 123.003 120.406 2.597 19178 1646 1 4 . 1 1 97 97 ILE HA H 97 4.120 4.120 4.008 0.112 19178 1647 1 4 . 1 1 97 97 ILE C C 97 175.194 175.194 175.891 -0.697 19178 1648 1 4 . 1 1 97 97 ILE CA C 97 60.929 60.929 61.869 -0.940 19178 1649 1 4 . 1 1 97 97 ILE CB C 97 39.044 39.044 38.991 0.053 19178 1650 1 4 . 1 1 97 97 ILE H H 97 7.832 7.832 8.290 -0.458 19178 1651 1 4 . 1 1 98 98 ASP N N 98 125.070 125.070 127.220 -2.150 19178 1652 1 4 . 1 1 98 98 ASP HA H 98 4.627 4.627 4.778 -0.151 19178 1653 1 4 . 1 1 98 98 ASP C C 98 174.976 174.976 175.933 -0.957 19178 1654 1 4 . 1 1 98 98 ASP CA C 98 54.184 54.184 52.883 1.301 19178 1655 1 4 . 1 1 98 98 ASP CB C 98 41.502 41.502 40.806 0.696 19178 1656 1 4 . 1 1 98 98 ASP H H 98 8.245 8.245 8.280 -0.035 19178 1657 1 5 . 1 1 16 16 GLN HA H 16 4.330 4.330 4.053 0.277 19178 1658 1 5 . 1 1 17 17 GLU N N 17 119.126 119.126 120.812 -1.686 19178 1659 1 5 . 1 1 17 17 GLU HA H 17 4.329 4.329 4.145 0.184 19178 1660 1 5 . 1 1 17 17 GLU H H 17 8.422 8.422 8.831 -0.409 19178 1661 1 5 . 1 1 18 18 GLN N N 18 120.450 120.450 118.382 2.068 19178 1662 1 5 . 1 1 18 18 GLN HA H 18 4.081 4.081 4.114 -0.033 19178 1663 1 5 . 1 1 18 18 GLN H H 18 8.729 8.729 8.008 0.721 19178 1664 1 5 . 1 1 19 19 TRP N N 19 121.902 121.902 120.328 1.574 19178 1665 1 5 . 1 1 19 19 TRP HA H 19 4.125 4.125 4.365 -0.240 19178 1666 1 5 . 1 1 19 19 TRP C C 19 179.400 179.400 178.037 1.363 19178 1667 1 5 . 1 1 19 19 TRP CA C 19 62.361 62.361 60.728 1.633 19178 1668 1 5 . 1 1 19 19 TRP CB C 19 29.938 29.938 29.401 0.537 19178 1669 1 5 . 1 1 19 19 TRP H H 19 8.561 8.561 8.338 0.223 19178 1670 1 5 . 1 1 20 20 ALA N N 20 122.759 122.759 123.278 -0.519 19178 1671 1 5 . 1 1 20 20 ALA HA H 20 3.815 3.815 3.810 0.005 19178 1672 1 5 . 1 1 20 20 ALA C C 20 180.433 180.433 179.127 1.306 19178 1673 1 5 . 1 1 20 20 ALA CA C 20 55.619 55.619 54.845 0.774 19178 1674 1 5 . 1 1 20 20 ALA CB C 20 18.474 18.474 18.181 0.293 19178 1675 1 5 . 1 1 20 20 ALA H H 20 8.828 8.828 7.851 0.977 19178 1676 1 5 . 1 1 21 21 MET N N 21 117.474 117.474 116.369 1.105 19178 1677 1 5 . 1 1 21 21 MET HA H 21 4.479 4.479 3.965 0.514 19178 1678 1 5 . 1 1 21 21 MET C C 21 178.744 178.744 178.282 0.462 19178 1679 1 5 . 1 1 21 21 MET CA C 21 56.778 56.778 58.460 -1.682 19178 1680 1 5 . 1 1 21 21 MET CB C 21 29.956 29.956 31.882 -1.926 19178 1681 1 5 . 1 1 21 21 MET H H 21 8.702 8.702 7.815 0.887 19178 1682 1 5 . 1 1 22 22 GLN N N 22 119.738 119.738 120.282 -0.544 19178 1683 1 5 . 1 1 22 22 GLN HA H 22 4.025 4.025 3.715 0.310 19178 1684 1 5 . 1 1 22 22 GLN C C 22 180.104 180.104 177.945 2.159 19178 1685 1 5 . 1 1 22 22 GLN CA C 22 58.872 58.872 59.491 -0.619 19178 1686 1 5 . 1 1 22 22 GLN CB C 22 27.880 27.880 27.935 -0.055 19178 1687 1 5 . 1 1 22 22 GLN H H 22 8.531 8.531 7.711 0.820 19178 1688 1 5 . 1 1 23 23 THR N N 23 117.049 117.049 114.841 2.208 19178 1689 1 5 . 1 1 23 23 THR HA H 23 3.715 3.715 3.907 -0.192 19178 1690 1 5 . 1 1 23 23 THR C C 23 177.477 177.477 176.533 0.944 19178 1691 1 5 . 1 1 23 23 THR CA C 23 66.380 66.380 64.946 1.434 19178 1692 1 5 . 1 1 23 23 THR CB C 23 67.579 67.579 68.552 -0.972 19178 1693 1 5 . 1 1 23 23 THR H H 23 7.752 7.752 7.723 0.029 19178 1694 1 5 . 1 1 24 24 LEU N N 24 125.735 125.735 121.796 3.939 19178 1695 1 5 . 1 1 24 24 LEU HA H 24 3.731 3.731 3.791 -0.060 19178 1696 1 5 . 1 1 24 24 LEU C C 24 178.544 178.544 179.407 -0.863 19178 1697 1 5 . 1 1 24 24 LEU CA C 24 58.882 58.882 58.279 0.603 19178 1698 1 5 . 1 1 24 24 LEU CB C 24 41.550 41.550 41.881 -0.331 19178 1699 1 5 . 1 1 24 24 LEU H H 24 7.886 7.886 7.449 0.437 19178 1700 1 5 . 1 1 25 25 MET N N 25 118.622 118.622 116.772 1.850 19178 1701 1 5 . 1 1 25 25 MET HA H 25 4.717 4.717 4.480 0.237 19178 1702 1 5 . 1 1 25 25 MET C C 25 181.465 181.465 178.196 3.269 19178 1703 1 5 . 1 1 25 25 MET CA C 25 55.604 55.604 58.069 -2.465 19178 1704 1 5 . 1 1 25 25 MET CB C 25 32.071 32.071 32.808 -0.737 19178 1705 1 5 . 1 1 25 25 MET H H 25 8.619 8.619 8.350 0.269 19178 1706 1 5 . 1 1 26 26 GLY N N 26 110.755 110.755 107.644 3.111 19178 1707 1 5 . 1 1 26 26 GLY C C 26 174.662 174.662 176.103 -1.441 19178 1708 1 5 . 1 1 26 26 GLY CA C 26 46.788 46.788 46.196 0.592 19178 1709 1 5 . 1 1 26 26 GLY H H 26 8.953 8.953 8.334 0.619 19178 1710 1 5 . 1 1 27 27 SER N N 27 109.977 109.977 116.860 -6.883 19178 1711 1 5 . 1 1 27 27 SER HA H 27 4.422 4.422 4.192 0.230 19178 1712 1 5 . 1 1 27 27 SER C C 27 175.612 175.612 175.406 0.206 19178 1713 1 5 . 1 1 27 27 SER CA C 27 58.309 58.309 59.095 -0.786 19178 1714 1 5 . 1 1 27 27 SER CB C 27 64.423 64.423 63.066 1.357 19178 1715 1 5 . 1 1 27 27 SER H H 27 7.335 7.335 7.712 -0.377 19178 1716 1 5 . 1 1 28 28 GLY N N 28 110.105 110.105 106.921 3.184 19178 1717 1 5 . 1 1 28 28 GLY C C 28 174.029 174.029 174.604 -0.575 19178 1718 1 5 . 1 1 28 28 GLY CA C 28 45.371 45.371 45.495 -0.124 19178 1719 1 5 . 1 1 28 28 GLY H H 28 7.536 7.536 7.730 -0.194 19178 1720 1 5 . 1 1 29 29 VAL N N 29 121.444 121.444 119.921 1.523 19178 1721 1 5 . 1 1 29 29 VAL HA H 29 4.720 4.720 3.753 0.967 19178 1722 1 5 . 1 1 29 29 VAL C C 29 177.149 177.149 175.590 1.559 19178 1723 1 5 . 1 1 29 29 VAL CA C 29 66.474 66.474 65.396 1.078 19178 1724 1 5 . 1 1 29 29 VAL CB C 29 32.694 32.694 32.201 0.493 19178 1725 1 5 . 1 1 29 29 VAL H H 29 7.738 7.738 7.578 0.160 19178 1726 1 5 . 1 1 30 30 LEU N N 30 115.594 115.594 116.478 -0.884 19178 1727 1 5 . 1 1 30 30 LEU HA H 30 5.349 5.349 4.242 1.107 19178 1728 1 5 . 1 1 30 30 LEU C C 30 174.427 174.427 174.909 -0.482 19178 1729 1 5 . 1 1 30 30 LEU CA C 30 52.231 52.231 53.492 -1.261 19178 1730 1 5 . 1 1 30 30 LEU CB C 30 43.525 43.525 43.690 -0.165 19178 1731 1 5 . 1 1 30 30 LEU H H 30 7.090 7.090 7.121 -0.031 19178 1732 1 5 . 1 1 31 31 ALA N N 31 122.020 122.020 121.315 0.705 19178 1733 1 5 . 1 1 31 31 ALA HA H 31 4.539 4.539 4.707 -0.168 19178 1734 1 5 . 1 1 31 31 ALA C C 31 175.130 175.130 175.391 -0.261 19178 1735 1 5 . 1 1 31 31 ALA CA C 31 50.963 50.963 51.063 -0.100 19178 1736 1 5 . 1 1 31 31 ALA CB C 31 22.314 22.314 21.539 0.775 19178 1737 1 5 . 1 1 31 31 ALA H H 31 8.981 8.981 8.772 0.209 19178 1738 1 5 . 1 1 32 32 ARG N N 32 118.606 118.606 120.287 -1.681 19178 1739 1 5 . 1 1 32 32 ARG HA H 32 5.342 5.342 4.567 0.775 19178 1740 1 5 . 1 1 32 32 ARG C C 32 178.051 178.051 175.178 2.873 19178 1741 1 5 . 1 1 32 32 ARG CA C 32 54.543 54.543 54.618 -0.075 19178 1742 1 5 . 1 1 32 32 ARG CB C 32 31.485 31.485 33.169 -1.684 19178 1743 1 5 . 1 1 32 32 ARG H H 32 8.223 8.223 8.164 0.059 19178 1744 1 5 . 1 1 33 33 CYS N N 33 125.750 125.750 121.243 4.507 19178 1745 1 5 . 1 1 33 33 CYS HA H 33 4.117 4.117 4.557 -0.440 19178 1746 1 5 . 1 1 33 33 CYS C C 33 175.978 175.978 176.579 -0.601 19178 1747 1 5 . 1 1 33 33 CYS CA C 33 60.620 60.620 58.145 2.475 19178 1748 1 5 . 1 1 33 33 CYS CB C 33 27.213 27.213 28.630 -1.417 19178 1749 1 5 . 1 1 33 33 CYS H H 33 8.314 8.314 8.555 -0.241 19178 1750 1 5 . 1 1 34 34 ARG N N 34 128.053 128.053 127.997 0.056 19178 1751 1 5 . 1 1 34 34 ARG HA H 34 3.926 3.926 4.102 -0.176 19178 1752 1 5 . 1 1 34 34 ARG C C 34 176.565 176.565 176.223 0.342 19178 1753 1 5 . 1 1 34 34 ARG CA C 34 58.719 58.719 58.193 0.526 19178 1754 1 5 . 1 1 34 34 ARG CB C 34 30.159 30.159 29.753 0.406 19178 1755 1 5 . 1 1 34 34 ARG H H 34 8.578 8.578 8.819 -0.241 19178 1756 1 5 . 1 1 35 35 ILE N N 35 122.502 122.502 116.379 6.123 19178 1757 1 5 . 1 1 35 35 ILE HA H 35 3.843 3.843 4.049 -0.206 19178 1758 1 5 . 1 1 35 35 ILE C C 35 176.028 176.028 175.346 0.682 19178 1759 1 5 . 1 1 35 35 ILE CA C 35 62.035 62.035 61.562 0.473 19178 1760 1 5 . 1 1 35 35 ILE CB C 35 39.125 39.125 38.968 0.157 19178 1761 1 5 . 1 1 35 35 ILE H H 35 8.932 8.932 7.123 1.809 19178 1762 1 5 . 1 1 36 36 HIS N N 36 121.974 121.974 119.717 2.257 19178 1763 1 5 . 1 1 36 36 HIS HA H 36 4.569 4.569 4.906 -0.337 19178 1764 1 5 . 1 1 36 36 HIS CB C 36 31.187 31.187 29.021 2.166 19178 1765 1 5 . 1 1 36 36 HIS H H 36 8.078 8.078 7.499 0.579 19178 1766 1 5 . 1 1 37 37 ASN N N 37 119.433 119.433 120.417 -0.984 19178 1767 1 5 . 1 1 37 37 ASN HA H 37 4.399 4.399 4.686 -0.287 19178 1768 1 5 . 1 1 37 37 ASN C C 37 173.906 173.906 175.079 -1.173 19178 1769 1 5 . 1 1 37 37 ASN CA C 37 56.407 56.407 54.509 1.898 19178 1770 1 5 . 1 1 37 37 ASN CB C 37 39.331 39.331 39.877 -0.546 19178 1771 1 5 . 1 1 37 37 ASN H H 37 8.386 8.386 8.725 -0.339 19178 1772 1 5 . 1 1 38 38 ASP N N 38 112.673 112.673 116.916 -4.243 19178 1773 1 5 . 1 1 38 38 ASP HA H 38 4.385 4.385 4.695 -0.310 19178 1774 1 5 . 1 1 38 38 ASP C C 38 175.841 175.841 175.476 0.365 19178 1775 1 5 . 1 1 38 38 ASP CA C 38 53.983 53.983 53.863 0.120 19178 1776 1 5 . 1 1 38 38 ASP CB C 38 40.263 40.263 40.780 -0.517 19178 1777 1 5 . 1 1 38 38 ASP H H 38 8.880 8.880 8.429 0.451 19178 1778 1 5 . 1 1 39 39 VAL N N 39 124.385 124.385 120.258 4.127 19178 1779 1 5 . 1 1 39 39 VAL HA H 39 3.944 3.944 3.910 0.034 19178 1780 1 5 . 1 1 39 39 VAL C C 39 173.731 173.731 174.926 -1.195 19178 1781 1 5 . 1 1 39 39 VAL CA C 39 63.514 63.514 61.521 1.993 19178 1782 1 5 . 1 1 39 39 VAL CB C 39 32.408 32.408 32.965 -0.557 19178 1783 1 5 . 1 1 39 39 VAL H H 39 8.253 8.253 7.497 0.756 19178 1784 1 5 . 1 1 40 40 ILE N N 40 128.130 128.130 123.350 4.780 19178 1785 1 5 . 1 1 40 40 ILE HA H 40 4.222 4.222 4.171 0.051 19178 1786 1 5 . 1 1 40 40 ILE C C 40 174.090 174.090 173.826 0.264 19178 1787 1 5 . 1 1 40 40 ILE CA C 40 60.635 60.635 59.090 1.545 19178 1788 1 5 . 1 1 40 40 ILE CB C 40 38.281 38.281 40.115 -1.834 19178 1789 1 5 . 1 1 40 40 ILE H H 40 7.836 7.836 7.530 0.306 19178 1790 1 5 . 1 1 41 41 LEU N N 41 124.924 124.924 126.771 -1.847 19178 1791 1 5 . 1 1 41 41 LEU HA H 41 4.884 4.884 5.180 -0.296 19178 1792 1 5 . 1 1 41 41 LEU C C 41 175.989 175.989 175.389 0.600 19178 1793 1 5 . 1 1 41 41 LEU CA C 41 52.654 52.654 52.654 0.000 19178 1794 1 5 . 1 1 41 41 LEU CB C 41 45.122 45.122 45.963 -0.841 19178 1795 1 5 . 1 1 41 41 LEU H H 41 8.836 8.836 8.738 0.098 19178 1796 1 5 . 1 1 42 42 ASP N N 42 119.247 119.247 121.887 -2.640 19178 1797 1 5 . 1 1 42 42 ASP HA H 42 4.858 4.858 4.467 0.391 19178 1798 1 5 . 1 1 42 42 ASP C C 42 176.128 176.128 174.987 1.141 19178 1799 1 5 . 1 1 42 42 ASP CA C 42 53.328 53.328 55.285 -1.957 19178 1800 1 5 . 1 1 42 42 ASP CB C 42 41.408 41.408 41.669 -0.261 19178 1801 1 5 . 1 1 42 42 ASP H H 42 8.725 8.725 8.328 0.397 19178 1802 1 5 . 1 1 43 43 SER N N 43 123.344 123.344 121.250 2.094 19178 1803 1 5 . 1 1 43 43 SER HA H 43 4.178 4.178 4.465 -0.287 19178 1804 1 5 . 1 1 43 43 SER C C 43 176.291 176.291 175.402 0.889 19178 1805 1 5 . 1 1 43 43 SER CA C 43 60.431 60.431 59.175 1.256 19178 1806 1 5 . 1 1 43 43 SER CB C 43 64.943 64.943 64.406 0.537 19178 1807 1 5 . 1 1 43 43 SER H H 43 8.462 8.462 8.391 0.071 19178 1808 1 5 . 1 1 44 44 GLY N N 44 112.184 112.184 109.703 2.481 19178 1809 1 5 . 1 1 44 44 GLY C C 44 174.525 174.525 173.745 0.780 19178 1810 1 5 . 1 1 44 44 GLY CA C 44 45.368 45.368 45.007 0.361 19178 1811 1 5 . 1 1 44 44 GLY H H 44 9.230 9.230 8.344 0.886 19178 1812 1 5 . 1 1 45 45 ASN N N 45 119.774 119.774 117.877 1.897 19178 1813 1 5 . 1 1 45 45 ASN HA H 45 4.681 4.681 4.851 -0.170 19178 1814 1 5 . 1 1 45 45 ASN C C 45 174.866 174.866 173.744 1.122 19178 1815 1 5 . 1 1 45 45 ASN CA C 45 52.807 52.807 52.011 0.796 19178 1816 1 5 . 1 1 45 45 ASN CB C 45 39.241 39.241 40.136 -0.895 19178 1817 1 5 . 1 1 45 45 ASN H H 45 8.486 8.486 7.790 0.696 19178 1818 1 5 . 1 1 46 46 ASP N N 46 120.223 120.223 120.445 -0.222 19178 1819 1 5 . 1 1 46 46 ASP HA H 46 4.367 4.367 4.470 -0.103 19178 1820 1 5 . 1 1 46 46 ASP C C 46 177.272 177.272 176.507 0.765 19178 1821 1 5 . 1 1 46 46 ASP CA C 46 54.869 54.869 54.740 0.129 19178 1822 1 5 . 1 1 46 46 ASP CB C 46 42.461 42.461 40.770 1.691 19178 1823 1 5 . 1 1 46 46 ASP H H 46 8.387 8.387 8.565 -0.178 19178 1824 1 5 . 1 1 47 47 ALA N N 47 126.587 126.587 130.450 -3.863 19178 1825 1 5 . 1 1 47 47 ALA HA H 47 3.741 3.741 3.919 -0.178 19178 1826 1 5 . 1 1 47 47 ALA C C 47 177.980 177.980 178.198 -0.218 19178 1827 1 5 . 1 1 47 47 ALA CA C 47 53.866 53.866 53.567 0.299 19178 1828 1 5 . 1 1 47 47 ALA CB C 47 16.554 16.554 18.547 -1.993 19178 1829 1 5 . 1 1 47 47 ALA H H 47 8.747 8.747 8.473 0.274 19178 1830 1 5 . 1 1 48 48 SER N N 48 115.463 115.463 114.288 1.175 19178 1831 1 5 . 1 1 48 48 SER HA H 48 4.203 4.203 4.340 -0.137 19178 1832 1 5 . 1 1 48 48 SER CA C 48 61.994 61.994 61.867 0.127 19178 1833 1 5 . 1 1 48 48 SER H H 48 8.973 8.973 8.155 0.818 19178 1834 1 5 . 1 1 49 49 SER C C 49 176.587 176.587 175.984 0.603 19178 1835 1 5 . 1 1 49 49 SER CA C 49 62.279 62.279 60.873 1.406 19178 1836 1 5 . 1 1 50 50 ALA N N 50 125.775 125.775 125.633 0.142 19178 1837 1 5 . 1 1 50 50 ALA HA H 50 4.076 4.076 4.125 -0.049 19178 1838 1 5 . 1 1 50 50 ALA C C 50 179.125 179.125 179.761 -0.636 19178 1839 1 5 . 1 1 50 50 ALA CA C 50 54.822 54.822 54.588 0.234 19178 1840 1 5 . 1 1 50 50 ALA CB C 50 18.834 18.834 18.272 0.562 19178 1841 1 5 . 1 1 50 50 ALA H H 50 7.620 7.620 7.294 0.326 19178 1842 1 5 . 1 1 51 51 TYR N N 51 117.562 117.562 118.006 -0.444 19178 1843 1 5 . 1 1 51 51 TYR HA H 51 4.275 4.275 4.132 0.143 19178 1844 1 5 . 1 1 51 51 TYR C C 51 179.622 179.622 178.082 1.540 19178 1845 1 5 . 1 1 51 51 TYR CA C 51 60.966 60.966 60.066 0.900 19178 1846 1 5 . 1 1 51 51 TYR CB C 51 36.803 36.803 37.476 -0.673 19178 1847 1 5 . 1 1 51 51 TYR H H 51 7.397 7.397 8.174 -0.777 19178 1848 1 5 . 1 1 52 52 LYS N N 52 121.441 121.441 121.350 0.091 19178 1849 1 5 . 1 1 52 52 LYS HA H 52 4.103 4.103 3.787 0.316 19178 1850 1 5 . 1 1 52 52 LYS C C 52 179.041 179.041 178.277 0.764 19178 1851 1 5 . 1 1 52 52 LYS CA C 52 59.827 59.827 59.280 0.547 19178 1852 1 5 . 1 1 52 52 LYS H H 52 8.332 8.332 8.230 0.102 19178 1853 1 5 . 1 1 53 53 LEU N N 53 122.286 122.286 120.491 1.795 19178 1854 1 5 . 1 1 53 53 LEU HA H 53 4.376 4.376 4.129 0.247 19178 1855 1 5 . 1 1 53 53 LEU C C 53 178.373 178.373 178.835 -0.462 19178 1856 1 5 . 1 1 53 53 LEU CA C 53 57.863 57.863 57.357 0.506 19178 1857 1 5 . 1 1 53 53 LEU CB C 53 41.288 41.288 41.036 0.252 19178 1858 1 5 . 1 1 53 53 LEU H H 53 7.671 7.671 8.095 -0.424 19178 1859 1 5 . 1 1 54 54 GLY N N 54 127.824 127.824 107.148 20.676 19178 1860 1 5 . 1 1 54 54 GLY C C 54 174.865 174.865 176.137 -1.272 19178 1861 1 5 . 1 1 54 54 GLY CA C 54 47.971 47.971 47.384 0.587 19178 1862 1 5 . 1 1 54 54 GLY H H 54 9.020 9.020 8.568 0.452 19178 1863 1 5 . 1 1 55 55 THR N N 55 117.961 117.961 116.590 1.371 19178 1864 1 5 . 1 1 55 55 THR HA H 55 4.445 4.445 4.255 0.190 19178 1865 1 5 . 1 1 55 55 THR C C 55 175.188 175.188 176.604 -1.416 19178 1866 1 5 . 1 1 55 55 THR CA C 55 67.593 67.593 66.700 0.893 19178 1867 1 5 . 1 1 55 55 THR H H 55 8.123 8.123 8.464 -0.341 19178 1868 1 5 . 1 1 56 56 TYR N N 56 122.294 122.294 121.168 1.126 19178 1869 1 5 . 1 1 56 56 TYR HA H 56 4.346 4.346 4.445 -0.099 19178 1870 1 5 . 1 1 56 56 TYR C C 56 177.909 177.909 177.698 0.211 19178 1871 1 5 . 1 1 56 56 TYR CA C 56 61.147 61.147 59.445 1.702 19178 1872 1 5 . 1 1 56 56 TYR CB C 56 37.981 37.981 37.449 0.532 19178 1873 1 5 . 1 1 56 56 TYR H H 56 7.697 7.697 8.089 -0.392 19178 1874 1 5 . 1 1 57 57 LEU N N 57 118.703 118.703 118.233 0.470 19178 1875 1 5 . 1 1 57 57 LEU HA H 57 3.914 3.914 4.202 -0.288 19178 1876 1 5 . 1 1 57 57 LEU C C 57 180.087 180.087 178.409 1.678 19178 1877 1 5 . 1 1 57 57 LEU CA C 57 57.780 57.780 57.029 0.751 19178 1878 1 5 . 1 1 57 57 LEU CB C 57 42.026 42.026 41.556 0.470 19178 1879 1 5 . 1 1 57 57 LEU H H 57 8.909 8.909 8.033 0.876 19178 1880 1 5 . 1 1 58 58 TYR N N 58 120.667 120.667 119.224 1.443 19178 1881 1 5 . 1 1 58 58 TYR HA H 58 4.209 4.209 4.317 -0.108 19178 1882 1 5 . 1 1 58 58 TYR C C 58 177.511 177.511 178.415 -0.904 19178 1883 1 5 . 1 1 58 58 TYR CA C 58 61.641 61.641 60.765 0.876 19178 1884 1 5 . 1 1 58 58 TYR H H 58 8.971 8.971 8.427 0.544 19178 1885 1 5 . 1 1 59 59 GLN N N 59 119.344 119.344 114.723 4.621 19178 1886 1 5 . 1 1 59 59 GLN HA H 59 4.668 4.668 4.442 0.226 19178 1887 1 5 . 1 1 59 59 GLN C C 59 179.270 179.270 176.120 3.150 19178 1888 1 5 . 1 1 59 59 GLN H H 59 8.378 8.378 8.232 0.146 19178 1889 1 5 . 1 1 67 67 PHE HA H 67 4.852 4.852 4.713 0.139 19178 1890 1 5 . 1 1 67 67 PHE C C 67 175.889 175.889 173.876 2.013 19178 1891 1 5 . 1 1 67 67 PHE CA C 67 55.576 55.576 55.762 -0.186 19178 1892 1 5 . 1 1 67 67 PHE CB C 67 42.444 42.444 39.889 2.554 19178 1893 1 5 . 1 1 68 68 ASN N N 68 120.775 120.775 125.995 -5.220 19178 1894 1 5 . 1 1 68 68 ASN C C 68 175.338 175.338 174.621 0.717 19178 1895 1 5 . 1 1 68 68 ASN CA C 68 55.092 55.092 53.563 1.529 19178 1896 1 5 . 1 1 68 68 ASN CB C 68 40.006 40.006 39.252 0.754 19178 1897 1 5 . 1 1 68 68 ASN H H 68 9.560 9.560 8.962 0.598 19178 1898 1 5 . 1 1 69 69 THR N N 69 127.914 127.914 116.210 11.704 19178 1899 1 5 . 1 1 69 69 THR HA H 69 4.732 4.732 4.048 0.684 19178 1900 1 5 . 1 1 69 69 THR C C 69 173.530 173.530 174.998 -1.468 19178 1901 1 5 . 1 1 69 69 THR CA C 69 58.877 58.877 60.764 -1.887 19178 1902 1 5 . 1 1 69 69 THR CB C 69 73.620 73.620 69.778 3.842 19178 1903 1 5 . 1 1 69 69 THR H H 69 7.237 7.237 8.358 -1.121 19178 1904 1 5 . 1 1 70 70 LEU N N 70 122.013 122.013 127.718 -5.705 19178 1905 1 5 . 1 1 70 70 LEU HA H 70 3.005 3.005 4.039 -1.034 19178 1906 1 5 . 1 1 70 70 LEU C C 70 178.252 178.252 178.193 0.059 19178 1907 1 5 . 1 1 70 70 LEU CA C 70 56.721 56.721 57.081 -0.360 19178 1908 1 5 . 1 1 70 70 LEU CB C 70 41.199 41.199 41.095 0.104 19178 1909 1 5 . 1 1 70 70 LEU H H 70 8.614 8.614 8.856 -0.242 19178 1910 1 5 . 1 1 71 71 THR N N 71 114.041 114.041 113.349 0.692 19178 1911 1 5 . 1 1 71 71 THR HA H 71 3.620 3.620 3.874 -0.254 19178 1912 1 5 . 1 1 71 71 THR C C 71 175.400 175.400 176.589 -1.189 19178 1913 1 5 . 1 1 71 71 THR CA C 71 66.405 66.405 66.540 -0.135 19178 1914 1 5 . 1 1 71 71 THR CB C 71 68.517 68.517 68.314 0.203 19178 1915 1 5 . 1 1 71 71 THR H H 71 7.694 7.694 8.118 -0.424 19178 1916 1 5 . 1 1 72 72 GLU N N 72 120.141 120.141 120.542 -0.401 19178 1917 1 5 . 1 1 72 72 GLU HA H 72 3.997 3.997 4.001 -0.004 19178 1918 1 5 . 1 1 72 72 GLU C C 72 178.982 178.982 178.111 0.871 19178 1919 1 5 . 1 1 72 72 GLU CA C 72 59.250 59.250 59.465 -0.215 19178 1920 1 5 . 1 1 72 72 GLU CB C 72 30.907 30.907 29.391 1.516 19178 1921 1 5 . 1 1 72 72 GLU H H 72 7.514 7.514 7.609 -0.095 19178 1922 1 5 . 1 1 73 73 ALA N N 73 123.400 123.400 122.602 0.798 19178 1923 1 5 . 1 1 73 73 ALA HA H 73 2.167 2.167 3.746 -1.579 19178 1924 1 5 . 1 1 73 73 ALA C C 73 178.959 178.959 179.231 -0.272 19178 1925 1 5 . 1 1 73 73 ALA CA C 73 54.323 54.323 55.012 -0.689 19178 1926 1 5 . 1 1 73 73 ALA CB C 73 17.561 17.561 18.212 -0.651 19178 1927 1 5 . 1 1 73 73 ALA H H 73 6.788 6.788 7.132 -0.344 19178 1928 1 5 . 1 1 74 74 ARG N N 74 116.272 116.272 117.106 -0.834 19178 1929 1 5 . 1 1 74 74 ARG HA H 74 3.887 3.887 3.839 0.048 19178 1930 1 5 . 1 1 74 74 ARG C C 74 179.230 179.230 177.716 1.514 19178 1931 1 5 . 1 1 74 74 ARG CA C 74 60.442 60.442 59.165 1.277 19178 1932 1 5 . 1 1 74 74 ARG CB C 74 29.878 29.878 29.694 0.184 19178 1933 1 5 . 1 1 74 74 ARG H H 74 8.145 8.145 8.674 -0.529 19178 1934 1 5 . 1 1 75 75 ASP N N 75 120.487 120.487 119.674 0.813 19178 1935 1 5 . 1 1 75 75 ASP HA H 75 4.446 4.446 4.379 0.067 19178 1936 1 5 . 1 1 75 75 ASP C C 75 178.040 178.040 177.784 0.256 19178 1937 1 5 . 1 1 75 75 ASP CA C 75 57.166 57.166 56.755 0.411 19178 1938 1 5 . 1 1 75 75 ASP CB C 75 39.687 39.687 40.707 -1.020 19178 1939 1 5 . 1 1 75 75 ASP H H 75 8.594 8.594 8.004 0.590 19178 1940 1 5 . 1 1 76 76 ALA N N 76 122.773 122.773 122.359 0.414 19178 1941 1 5 . 1 1 76 76 ALA HA H 76 4.345 4.345 4.060 0.285 19178 1942 1 5 . 1 1 76 76 ALA C C 76 181.221 181.221 179.727 1.494 19178 1943 1 5 . 1 1 76 76 ALA CA C 76 55.245 55.245 55.079 0.166 19178 1944 1 5 . 1 1 76 76 ALA CB C 76 18.316 18.316 18.599 -0.283 19178 1945 1 5 . 1 1 76 76 ALA H H 76 7.668 7.668 7.622 0.046 19178 1946 1 5 . 1 1 77 77 ILE N N 77 120.254 120.254 117.951 2.303 19178 1947 1 5 . 1 1 77 77 ILE HA H 77 3.632 3.632 3.712 -0.080 19178 1948 1 5 . 1 1 77 77 ILE C C 77 176.567 176.567 177.771 -1.204 19178 1949 1 5 . 1 1 77 77 ILE CA C 77 66.365 66.365 65.112 1.253 19178 1950 1 5 . 1 1 77 77 ILE CB C 77 37.947 37.947 37.775 0.172 19178 1951 1 5 . 1 1 77 77 ILE H H 77 7.724 7.724 8.381 -0.657 19178 1952 1 5 . 1 1 78 78 LYS N N 78 122.773 122.773 120.506 2.267 19178 1953 1 5 . 1 1 78 78 LYS HA H 78 4.265 4.265 3.965 0.300 19178 1954 1 5 . 1 1 78 78 LYS C C 78 178.382 178.382 178.161 0.221 19178 1955 1 5 . 1 1 78 78 LYS CA C 78 60.442 60.442 59.329 1.113 19178 1956 1 5 . 1 1 78 78 LYS CB C 78 33.021 33.021 31.866 1.155 19178 1957 1 5 . 1 1 78 78 LYS H H 78 8.465 8.465 8.205 0.260 19178 1958 1 5 . 1 1 79 79 ASP N N 79 118.165 118.165 120.515 -2.350 19178 1959 1 5 . 1 1 79 79 ASP HA H 79 4.353 4.353 4.467 -0.114 19178 1960 1 5 . 1 1 79 79 ASP C C 79 179.289 179.289 178.116 1.173 19178 1961 1 5 . 1 1 79 79 ASP CA C 79 57.245 57.245 57.427 -0.182 19178 1962 1 5 . 1 1 79 79 ASP H H 79 8.541 8.541 8.309 0.232 19178 1963 1 5 . 1 1 80 80 ALA N N 80 122.362 122.362 122.734 -0.372 19178 1964 1 5 . 1 1 80 80 ALA HA H 80 4.340 4.340 4.280 0.060 19178 1965 1 5 . 1 1 80 80 ALA C C 80 179.265 179.265 180.242 -0.977 19178 1966 1 5 . 1 1 80 80 ALA CA C 80 54.979 54.979 55.193 -0.214 19178 1967 1 5 . 1 1 80 80 ALA CB C 80 18.254 18.254 18.522 -0.268 19178 1968 1 5 . 1 1 80 80 ALA H H 80 7.727 7.727 8.098 -0.371 19178 1969 1 5 . 1 1 81 81 TYR N N 81 118.882 118.882 118.485 0.397 19178 1970 1 5 . 1 1 81 81 TYR HA H 81 4.115 4.115 4.256 -0.141 19178 1971 1 5 . 1 1 81 81 TYR C C 81 178.146 178.146 178.562 -0.416 19178 1972 1 5 . 1 1 81 81 TYR CA C 81 61.635 61.635 60.044 1.591 19178 1973 1 5 . 1 1 81 81 TYR CB C 81 38.115 38.115 37.995 0.120 19178 1974 1 5 . 1 1 81 81 TYR H H 81 9.037 9.037 8.841 0.196 19178 1975 1 5 . 1 1 82 82 GLU N N 82 116.630 116.630 118.309 -1.679 19178 1976 1 5 . 1 1 82 82 GLU HA H 82 3.816 3.816 4.164 -0.348 19178 1977 1 5 . 1 1 82 82 GLU C C 82 178.664 178.664 178.387 0.277 19178 1978 1 5 . 1 1 82 82 GLU CA C 82 59.304 59.304 58.492 0.812 19178 1979 1 5 . 1 1 82 82 GLU CB C 82 28.848 28.848 29.396 -0.548 19178 1980 1 5 . 1 1 82 82 GLU H H 82 8.854 8.854 8.095 0.759 19178 1981 1 5 . 1 1 83 83 SER N N 83 114.004 114.004 114.749 -0.745 19178 1982 1 5 . 1 1 83 83 SER HA H 83 4.164 4.164 4.276 -0.112 19178 1983 1 5 . 1 1 83 83 SER C C 83 174.387 174.387 175.708 -1.321 19178 1984 1 5 . 1 1 83 83 SER CA C 83 61.038 61.038 60.527 0.511 19178 1985 1 5 . 1 1 83 83 SER CB C 83 63.152 63.152 63.660 -0.508 19178 1986 1 5 . 1 1 83 83 SER H H 83 7.573 7.573 8.206 -0.633 19178 1987 1 5 . 1 1 84 84 TYR N N 84 117.323 117.323 118.946 -1.623 19178 1988 1 5 . 1 1 84 84 TYR HA H 84 4.595 4.595 4.704 -0.109 19178 1989 1 5 . 1 1 84 84 TYR C C 84 174.434 174.434 175.528 -1.094 19178 1990 1 5 . 1 1 84 84 TYR CA C 84 58.871 58.871 57.768 1.103 19178 1991 1 5 . 1 1 84 84 TYR CB C 84 41.746 41.746 39.558 2.188 19178 1992 1 5 . 1 1 84 84 TYR H H 84 7.319 7.319 8.169 -0.850 19178 1993 1 5 . 1 1 85 85 CYS N N 85 118.762 118.762 119.314 -0.552 19178 1994 1 5 . 1 1 85 85 CYS HA H 85 3.940 3.940 3.995 -0.055 19178 1995 1 5 . 1 1 85 85 CYS C C 85 176.178 176.178 176.336 -0.158 19178 1996 1 5 . 1 1 85 85 CYS CA C 85 58.817 58.817 61.950 -3.133 19178 1997 1 5 . 1 1 85 85 CYS CB C 85 26.042 26.042 28.601 -2.559 19178 1998 1 5 . 1 1 85 85 CYS H H 85 7.670 7.670 8.163 -0.493 19178 1999 1 5 . 1 1 86 86 GLY N N 86 113.730 113.730 115.902 -2.172 19178 2000 1 5 . 1 1 86 86 GLY C C 86 174.587 174.587 173.781 0.806 19178 2001 1 5 . 1 1 86 86 GLY CA C 86 45.214 45.214 45.005 0.209 19178 2002 1 5 . 1 1 86 86 GLY H H 86 10.799 10.799 8.594 2.205 19178 2003 1 5 . 1 1 87 87 ILE N N 87 122.743 122.743 124.741 -1.998 19178 2004 1 5 . 1 1 87 87 ILE HA H 87 4.291 4.291 4.313 -0.022 19178 2005 1 5 . 1 1 87 87 ILE C C 87 174.340 174.340 174.778 -0.438 19178 2006 1 5 . 1 1 87 87 ILE CA C 87 60.968 60.968 60.875 0.093 19178 2007 1 5 . 1 1 87 87 ILE CB C 87 35.512 35.512 37.457 -1.945 19178 2008 1 5 . 1 1 87 87 ILE H H 87 8.023 8.023 8.020 0.003 19178 2009 1 5 . 1 1 88 88 ASP N N 88 125.059 125.059 125.556 -0.497 19178 2010 1 5 . 1 1 88 88 ASP HA H 88 4.750 4.750 4.767 -0.017 19178 2011 1 5 . 1 1 88 88 ASP C C 88 175.895 175.895 175.174 0.721 19178 2012 1 5 . 1 1 88 88 ASP CA C 88 54.319 54.319 52.943 1.376 19178 2013 1 5 . 1 1 88 88 ASP CB C 88 41.692 41.692 42.067 -0.375 19178 2014 1 5 . 1 1 88 88 ASP H H 88 8.127 8.127 8.511 -0.384 19178 2015 1 5 . 1 1 89 89 ASP N N 89 117.971 117.971 118.813 -0.842 19178 2016 1 5 . 1 1 89 89 ASP HA H 89 4.822 4.822 4.750 0.072 19178 2017 1 5 . 1 1 89 89 ASP C C 89 174.069 174.069 174.408 -0.339 19178 2018 1 5 . 1 1 89 89 ASP CA C 89 52.369 52.369 53.868 -1.500 19178 2019 1 5 . 1 1 89 89 ASP CB C 89 43.625 43.625 43.027 0.598 19178 2020 1 5 . 1 1 89 89 ASP H H 89 7.617 7.617 8.017 -0.400 19178 2021 1 5 . 1 1 90 90 CYS N N 90 126.238 126.238 122.483 3.755 19178 2022 1 5 . 1 1 90 90 CYS C C 90 175.636 175.636 175.262 0.374 19178 2023 1 5 . 1 1 90 90 CYS CA C 90 56.215 56.215 54.158 2.057 19178 2024 1 5 . 1 1 90 90 CYS H H 90 8.936 8.936 8.852 0.084 19178 2025 1 5 . 1 1 91 91 PRO HA H 91 4.460 4.460 4.330 0.130 19178 2026 1 5 . 1 1 91 91 PRO C C 91 178.629 178.629 178.385 0.244 19178 2027 1 5 . 1 1 91 91 PRO CA C 91 64.614 64.614 64.522 0.092 19178 2028 1 5 . 1 1 91 91 PRO CB C 91 32.208 32.208 32.278 -0.070 19178 2029 1 5 . 1 1 92 92 GLN N N 92 119.363 119.363 118.121 1.242 19178 2030 1 5 . 1 1 92 92 GLN HA H 92 4.060 4.060 4.111 -0.051 19178 2031 1 5 . 1 1 92 92 GLN C C 92 178.181 178.181 178.522 -0.341 19178 2032 1 5 . 1 1 92 92 GLN CA C 92 57.837 57.837 59.618 -1.781 19178 2033 1 5 . 1 1 92 92 GLN CB C 92 28.252 28.252 28.311 -0.059 19178 2034 1 5 . 1 1 92 92 GLN H H 92 8.253 8.253 8.967 -0.714 19178 2035 1 5 . 1 1 93 93 CYS N N 93 124.725 124.725 114.899 9.826 19178 2036 1 5 . 1 1 93 93 CYS HA H 93 4.269 4.269 4.525 -0.256 19178 2037 1 5 . 1 1 93 93 CYS C C 93 177.180 177.180 176.822 0.358 19178 2038 1 5 . 1 1 93 93 CYS CA C 93 64.366 64.366 60.452 3.914 19178 2039 1 5 . 1 1 93 93 CYS CB C 93 30.379 30.379 26.102 4.277 19178 2040 1 5 . 1 1 93 93 CYS H H 93 8.581 8.581 8.175 0.406 19178 2041 1 5 . 1 1 94 94 SER N N 94 113.467 113.467 116.816 -3.349 19178 2042 1 5 . 1 1 94 94 SER HA H 94 4.277 4.277 4.203 0.074 19178 2043 1 5 . 1 1 94 94 SER C C 94 174.481 174.481 175.995 -1.514 19178 2044 1 5 . 1 1 94 94 SER CA C 94 59.432 59.432 61.518 -2.086 19178 2045 1 5 . 1 1 94 94 SER CB C 94 63.217 63.217 63.209 0.008 19178 2046 1 5 . 1 1 94 94 SER H H 94 7.753 7.753 7.794 -0.041 19178 2047 1 5 . 1 1 95 95 LYS N N 95 121.369 121.369 118.611 2.758 19178 2048 1 5 . 1 1 95 95 LYS HA H 95 4.211 4.211 4.314 -0.103 19178 2049 1 5 . 1 1 95 95 LYS C C 95 176.237 176.237 177.039 -0.802 19178 2050 1 5 . 1 1 95 95 LYS CA C 95 56.622 56.622 56.695 -0.073 19178 2051 1 5 . 1 1 95 95 LYS CB C 95 32.756 32.756 33.154 -0.398 19178 2052 1 5 . 1 1 95 95 LYS H H 95 7.520 7.520 7.844 -0.324 19178 2053 1 5 . 1 1 96 96 TYR N N 96 121.000 121.000 122.367 -1.367 19178 2054 1 5 . 1 1 96 96 TYR HA H 96 4.559 4.559 4.273 0.286 19178 2055 1 5 . 1 1 96 96 TYR C C 96 175.577 175.577 175.695 -0.118 19178 2056 1 5 . 1 1 96 96 TYR CA C 96 58.039 58.039 58.923 -0.884 19178 2057 1 5 . 1 1 96 96 TYR CB C 96 38.694 38.694 38.528 0.166 19178 2058 1 5 . 1 1 96 96 TYR H H 96 8.005 8.005 7.659 0.346 19178 2059 1 5 . 1 1 97 97 ILE N N 97 123.003 123.003 128.635 -5.632 19178 2060 1 5 . 1 1 97 97 ILE HA H 97 4.120 4.120 3.995 0.125 19178 2061 1 5 . 1 1 97 97 ILE C C 97 175.194 175.194 174.721 0.473 19178 2062 1 5 . 1 1 97 97 ILE CA C 97 60.929 60.929 62.073 -1.144 19178 2063 1 5 . 1 1 97 97 ILE CB C 97 39.044 39.044 38.042 1.002 19178 2064 1 5 . 1 1 97 97 ILE H H 97 7.832 7.832 7.741 0.091 19178 2065 1 5 . 1 1 98 98 ASP N N 98 125.070 125.070 129.242 -4.172 19178 2066 1 5 . 1 1 98 98 ASP HA H 98 4.627 4.627 4.833 -0.206 19178 2067 1 5 . 1 1 98 98 ASP C C 98 174.976 174.976 175.612 -0.636 19178 2068 1 5 . 1 1 98 98 ASP CA C 98 54.184 54.184 53.595 0.589 19178 2069 1 5 . 1 1 98 98 ASP CB C 98 41.502 41.502 41.361 0.141 19178 2070 1 5 . 1 1 98 98 ASP H H 98 8.245 8.245 8.314 -0.069 19178 2071 1 6 . 1 1 16 16 GLN HA H 16 4.330 4.330 4.091 0.239 19178 2072 1 6 . 1 1 17 17 GLU N N 17 119.126 119.126 119.921 -0.795 19178 2073 1 6 . 1 1 17 17 GLU HA H 17 4.329 4.329 4.204 0.125 19178 2074 1 6 . 1 1 17 17 GLU H H 17 8.422 8.422 8.870 -0.448 19178 2075 1 6 . 1 1 18 18 GLN N N 18 120.450 120.450 120.153 0.297 19178 2076 1 6 . 1 1 18 18 GLN HA H 18 4.081 4.081 4.155 -0.074 19178 2077 1 6 . 1 1 18 18 GLN H H 18 8.729 8.729 7.751 0.978 19178 2078 1 6 . 1 1 19 19 TRP N N 19 121.902 121.902 121.165 0.737 19178 2079 1 6 . 1 1 19 19 TRP HA H 19 4.125 4.125 4.238 -0.113 19178 2080 1 6 . 1 1 19 19 TRP C C 19 179.400 179.400 178.427 0.973 19178 2081 1 6 . 1 1 19 19 TRP CA C 19 62.361 62.361 61.558 0.803 19178 2082 1 6 . 1 1 19 19 TRP CB C 19 29.938 29.938 29.116 0.822 19178 2083 1 6 . 1 1 19 19 TRP H H 19 8.561 8.561 8.527 0.034 19178 2084 1 6 . 1 1 20 20 ALA N N 20 122.759 122.759 122.356 0.403 19178 2085 1 6 . 1 1 20 20 ALA HA H 20 3.815 3.815 3.832 -0.017 19178 2086 1 6 . 1 1 20 20 ALA C C 20 180.433 180.433 178.928 1.505 19178 2087 1 6 . 1 1 20 20 ALA CA C 20 55.619 55.619 54.626 0.993 19178 2088 1 6 . 1 1 20 20 ALA CB C 20 18.474 18.474 17.923 0.551 19178 2089 1 6 . 1 1 20 20 ALA H H 20 8.828 8.828 7.888 0.940 19178 2090 1 6 . 1 1 21 21 MET N N 21 117.474 117.474 117.104 0.370 19178 2091 1 6 . 1 1 21 21 MET HA H 21 4.479 4.479 4.070 0.409 19178 2092 1 6 . 1 1 21 21 MET C C 21 178.744 178.744 177.789 0.955 19178 2093 1 6 . 1 1 21 21 MET CA C 21 56.778 56.778 58.306 -1.528 19178 2094 1 6 . 1 1 21 21 MET CB C 21 29.956 29.956 32.202 -2.246 19178 2095 1 6 . 1 1 21 21 MET H H 21 8.702 8.702 7.695 1.007 19178 2096 1 6 . 1 1 22 22 GLN N N 22 119.738 119.738 118.678 1.060 19178 2097 1 6 . 1 1 22 22 GLN HA H 22 4.025 4.025 3.937 0.088 19178 2098 1 6 . 1 1 22 22 GLN C C 22 180.104 180.104 178.090 2.014 19178 2099 1 6 . 1 1 22 22 GLN CA C 22 58.872 58.872 58.806 0.066 19178 2100 1 6 . 1 1 22 22 GLN CB C 22 27.880 27.880 27.684 0.196 19178 2101 1 6 . 1 1 22 22 GLN H H 22 8.531 8.531 8.006 0.525 19178 2102 1 6 . 1 1 23 23 THR N N 23 117.049 117.049 116.979 0.070 19178 2103 1 6 . 1 1 23 23 THR HA H 23 3.715 3.715 3.921 -0.206 19178 2104 1 6 . 1 1 23 23 THR C C 23 177.477 177.477 176.221 1.256 19178 2105 1 6 . 1 1 23 23 THR CA C 23 66.380 66.380 65.352 1.028 19178 2106 1 6 . 1 1 23 23 THR CB C 23 67.579 67.579 68.773 -1.194 19178 2107 1 6 . 1 1 23 23 THR H H 23 7.752 7.752 7.467 0.285 19178 2108 1 6 . 1 1 24 24 LEU N N 24 125.735 125.735 122.620 3.115 19178 2109 1 6 . 1 1 24 24 LEU HA H 24 3.731 3.731 3.892 -0.161 19178 2110 1 6 . 1 1 24 24 LEU C C 24 178.544 178.544 178.891 -0.347 19178 2111 1 6 . 1 1 24 24 LEU CA C 24 58.882 58.882 58.114 0.768 19178 2112 1 6 . 1 1 24 24 LEU CB C 24 41.550 41.550 42.143 -0.593 19178 2113 1 6 . 1 1 24 24 LEU H H 24 7.886 7.886 7.398 0.488 19178 2114 1 6 . 1 1 25 25 MET N N 25 118.622 118.622 115.764 2.858 19178 2115 1 6 . 1 1 25 25 MET HA H 25 4.717 4.717 4.533 0.184 19178 2116 1 6 . 1 1 25 25 MET C C 25 181.465 181.465 178.554 2.911 19178 2117 1 6 . 1 1 25 25 MET CA C 25 55.604 55.604 58.333 -2.728 19178 2118 1 6 . 1 1 25 25 MET CB C 25 32.071 32.071 32.889 -0.818 19178 2119 1 6 . 1 1 25 25 MET H H 25 8.619 8.619 8.548 0.071 19178 2120 1 6 . 1 1 26 26 GLY N N 26 110.755 110.755 107.421 3.334 19178 2121 1 6 . 1 1 26 26 GLY C C 26 174.662 174.662 175.800 -1.138 19178 2122 1 6 . 1 1 26 26 GLY CA C 26 46.788 46.788 46.184 0.604 19178 2123 1 6 . 1 1 26 26 GLY H H 26 8.953 8.953 7.947 1.006 19178 2124 1 6 . 1 1 27 27 SER N N 27 109.977 109.977 115.626 -5.649 19178 2125 1 6 . 1 1 27 27 SER HA H 27 4.422 4.422 4.267 0.155 19178 2126 1 6 . 1 1 27 27 SER C C 27 175.612 175.612 175.112 0.500 19178 2127 1 6 . 1 1 27 27 SER CA C 27 58.309 58.309 59.777 -1.468 19178 2128 1 6 . 1 1 27 27 SER CB C 27 64.423 64.423 63.310 1.113 19178 2129 1 6 . 1 1 27 27 SER H H 27 7.335 7.335 7.769 -0.434 19178 2130 1 6 . 1 1 28 28 GLY N N 28 110.105 110.105 108.015 2.090 19178 2131 1 6 . 1 1 28 28 GLY C C 28 174.029 174.029 174.651 -0.622 19178 2132 1 6 . 1 1 28 28 GLY CA C 28 45.371 45.371 45.367 0.004 19178 2133 1 6 . 1 1 28 28 GLY H H 28 7.536 7.536 7.831 -0.295 19178 2134 1 6 . 1 1 29 29 VAL N N 29 121.444 121.444 119.987 1.457 19178 2135 1 6 . 1 1 29 29 VAL HA H 29 4.720 4.720 3.853 0.867 19178 2136 1 6 . 1 1 29 29 VAL C C 29 177.149 177.149 175.814 1.335 19178 2137 1 6 . 1 1 29 29 VAL CA C 29 66.474 66.474 65.207 1.267 19178 2138 1 6 . 1 1 29 29 VAL CB C 29 32.694 32.694 32.316 0.378 19178 2139 1 6 . 1 1 29 29 VAL H H 29 7.738 7.738 7.623 0.115 19178 2140 1 6 . 1 1 30 30 LEU N N 30 115.594 115.594 116.012 -0.418 19178 2141 1 6 . 1 1 30 30 LEU HA H 30 5.349 5.349 4.369 0.980 19178 2142 1 6 . 1 1 30 30 LEU C C 30 174.427 174.427 174.777 -0.350 19178 2143 1 6 . 1 1 30 30 LEU CA C 30 52.231 52.231 53.290 -1.059 19178 2144 1 6 . 1 1 30 30 LEU CB C 30 43.525 43.525 44.093 -0.568 19178 2145 1 6 . 1 1 30 30 LEU H H 30 7.090 7.090 7.243 -0.153 19178 2146 1 6 . 1 1 31 31 ALA N N 31 122.020 122.020 121.009 1.011 19178 2147 1 6 . 1 1 31 31 ALA HA H 31 4.539 4.539 4.712 -0.173 19178 2148 1 6 . 1 1 31 31 ALA C C 31 175.130 175.130 175.563 -0.433 19178 2149 1 6 . 1 1 31 31 ALA CA C 31 50.963 50.963 50.985 -0.022 19178 2150 1 6 . 1 1 31 31 ALA CB C 31 22.314 22.314 21.148 1.166 19178 2151 1 6 . 1 1 31 31 ALA H H 31 8.981 8.981 8.293 0.688 19178 2152 1 6 . 1 1 32 32 ARG N N 32 118.606 118.606 120.736 -2.130 19178 2153 1 6 . 1 1 32 32 ARG HA H 32 5.342 5.342 4.800 0.542 19178 2154 1 6 . 1 1 32 32 ARG C C 32 178.051 178.051 174.896 3.155 19178 2155 1 6 . 1 1 32 32 ARG CA C 32 54.543 54.543 53.887 0.656 19178 2156 1 6 . 1 1 32 32 ARG CB C 32 31.485 31.485 32.409 -0.924 19178 2157 1 6 . 1 1 32 32 ARG H H 32 8.223 8.223 8.171 0.052 19178 2158 1 6 . 1 1 33 33 CYS N N 33 125.750 125.750 120.597 5.153 19178 2159 1 6 . 1 1 33 33 CYS HA H 33 4.117 4.117 4.615 -0.498 19178 2160 1 6 . 1 1 33 33 CYS C C 33 175.978 175.978 176.661 -0.683 19178 2161 1 6 . 1 1 33 33 CYS CA C 33 60.620 60.620 58.164 2.456 19178 2162 1 6 . 1 1 33 33 CYS CB C 33 27.213 27.213 29.198 -1.985 19178 2163 1 6 . 1 1 33 33 CYS H H 33 8.314 8.314 8.563 -0.249 19178 2164 1 6 . 1 1 34 34 ARG N N 34 128.053 128.053 128.195 -0.142 19178 2165 1 6 . 1 1 34 34 ARG HA H 34 3.926 3.926 4.143 -0.217 19178 2166 1 6 . 1 1 34 34 ARG C C 34 176.565 176.565 176.017 0.548 19178 2167 1 6 . 1 1 34 34 ARG CA C 34 58.719 58.719 58.087 0.632 19178 2168 1 6 . 1 1 34 34 ARG CB C 34 30.159 30.159 29.743 0.416 19178 2169 1 6 . 1 1 34 34 ARG H H 34 8.578 8.578 8.955 -0.377 19178 2170 1 6 . 1 1 35 35 ILE N N 35 122.502 122.502 116.617 5.885 19178 2171 1 6 . 1 1 35 35 ILE HA H 35 3.843 3.843 3.984 -0.141 19178 2172 1 6 . 1 1 35 35 ILE C C 35 176.028 176.028 174.733 1.295 19178 2173 1 6 . 1 1 35 35 ILE CA C 35 62.035 62.035 60.859 1.176 19178 2174 1 6 . 1 1 35 35 ILE CB C 35 39.125 39.125 38.605 0.520 19178 2175 1 6 . 1 1 35 35 ILE H H 35 8.932 8.932 7.151 1.781 19178 2176 1 6 . 1 1 36 36 HIS N N 36 121.974 121.974 118.896 3.078 19178 2177 1 6 . 1 1 36 36 HIS HA H 36 4.569 4.569 4.875 -0.306 19178 2178 1 6 . 1 1 36 36 HIS CB C 36 31.187 31.187 30.973 0.214 19178 2179 1 6 . 1 1 36 36 HIS H H 36 8.078 8.078 7.581 0.497 19178 2180 1 6 . 1 1 37 37 ASN N N 37 119.433 119.433 120.530 -1.097 19178 2181 1 6 . 1 1 37 37 ASN HA H 37 4.399 4.399 4.622 -0.223 19178 2182 1 6 . 1 1 37 37 ASN C C 37 173.906 173.906 175.278 -1.372 19178 2183 1 6 . 1 1 37 37 ASN CA C 37 56.407 56.407 53.680 2.727 19178 2184 1 6 . 1 1 37 37 ASN CB C 37 39.331 39.331 39.395 -0.064 19178 2185 1 6 . 1 1 37 37 ASN H H 37 8.386 8.386 8.811 -0.425 19178 2186 1 6 . 1 1 38 38 ASP N N 38 112.673 112.673 117.179 -4.506 19178 2187 1 6 . 1 1 38 38 ASP HA H 38 4.385 4.385 4.582 -0.197 19178 2188 1 6 . 1 1 38 38 ASP C C 38 175.841 175.841 174.840 1.001 19178 2189 1 6 . 1 1 38 38 ASP CA C 38 53.983 53.983 54.144 -0.161 19178 2190 1 6 . 1 1 38 38 ASP CB C 38 40.263 40.263 40.762 -0.499 19178 2191 1 6 . 1 1 38 38 ASP H H 38 8.880 8.880 8.431 0.449 19178 2192 1 6 . 1 1 39 39 VAL N N 39 124.385 124.385 119.459 4.926 19178 2193 1 6 . 1 1 39 39 VAL HA H 39 3.944 3.944 3.991 -0.047 19178 2194 1 6 . 1 1 39 39 VAL C C 39 173.731 173.731 174.126 -0.395 19178 2195 1 6 . 1 1 39 39 VAL CA C 39 63.514 63.514 62.572 0.942 19178 2196 1 6 . 1 1 39 39 VAL CB C 39 32.408 32.408 33.116 -0.708 19178 2197 1 6 . 1 1 39 39 VAL H H 39 8.253 8.253 7.635 0.618 19178 2198 1 6 . 1 1 40 40 ILE N N 40 128.130 128.130 127.971 0.159 19178 2199 1 6 . 1 1 40 40 ILE HA H 40 4.222 4.222 4.255 -0.033 19178 2200 1 6 . 1 1 40 40 ILE C C 40 174.090 174.090 173.531 0.559 19178 2201 1 6 . 1 1 40 40 ILE CA C 40 60.635 60.635 59.721 0.914 19178 2202 1 6 . 1 1 40 40 ILE CB C 40 38.281 38.281 39.243 -0.962 19178 2203 1 6 . 1 1 40 40 ILE H H 40 7.836 7.836 7.571 0.265 19178 2204 1 6 . 1 1 41 41 LEU N N 41 124.924 124.924 127.611 -2.687 19178 2205 1 6 . 1 1 41 41 LEU HA H 41 4.884 4.884 4.659 0.225 19178 2206 1 6 . 1 1 41 41 LEU C C 41 175.989 175.989 175.251 0.738 19178 2207 1 6 . 1 1 41 41 LEU CA C 41 52.654 52.654 52.999 -0.345 19178 2208 1 6 . 1 1 41 41 LEU CB C 41 45.122 45.122 43.889 1.233 19178 2209 1 6 . 1 1 41 41 LEU H H 41 8.836 8.836 8.510 0.326 19178 2210 1 6 . 1 1 42 42 ASP N N 42 119.247 119.247 120.533 -1.286 19178 2211 1 6 . 1 1 42 42 ASP HA H 42 4.858 4.858 4.686 0.172 19178 2212 1 6 . 1 1 42 42 ASP C C 42 176.128 176.128 175.884 0.244 19178 2213 1 6 . 1 1 42 42 ASP CA C 42 53.328 53.328 53.352 -0.024 19178 2214 1 6 . 1 1 42 42 ASP CB C 42 41.408 41.408 43.011 -1.603 19178 2215 1 6 . 1 1 42 42 ASP H H 42 8.725 8.725 8.439 0.286 19178 2216 1 6 . 1 1 43 43 SER N N 43 123.344 123.344 121.627 1.717 19178 2217 1 6 . 1 1 43 43 SER HA H 43 4.178 4.178 4.746 -0.568 19178 2218 1 6 . 1 1 43 43 SER C C 43 176.291 176.291 175.501 0.790 19178 2219 1 6 . 1 1 43 43 SER CA C 43 60.431 60.431 58.530 1.901 19178 2220 1 6 . 1 1 43 43 SER CB C 43 64.943 64.943 64.664 0.279 19178 2221 1 6 . 1 1 43 43 SER H H 43 8.462 8.462 8.615 -0.153 19178 2222 1 6 . 1 1 44 44 GLY N N 44 112.184 112.184 109.612 2.572 19178 2223 1 6 . 1 1 44 44 GLY C C 44 174.525 174.525 174.632 -0.107 19178 2224 1 6 . 1 1 44 44 GLY CA C 44 45.368 45.368 45.009 0.359 19178 2225 1 6 . 1 1 44 44 GLY H H 44 9.230 9.230 8.448 0.782 19178 2226 1 6 . 1 1 45 45 ASN N N 45 119.774 119.774 119.482 0.292 19178 2227 1 6 . 1 1 45 45 ASN HA H 45 4.681 4.681 4.601 0.080 19178 2228 1 6 . 1 1 45 45 ASN C C 45 174.866 174.866 174.927 -0.061 19178 2229 1 6 . 1 1 45 45 ASN CA C 45 52.807 52.807 53.908 -1.101 19178 2230 1 6 . 1 1 45 45 ASN CB C 45 39.241 39.241 39.078 0.163 19178 2231 1 6 . 1 1 45 45 ASN H H 45 8.486 8.486 7.943 0.543 19178 2232 1 6 . 1 1 46 46 ASP N N 46 120.223 120.223 119.626 0.597 19178 2233 1 6 . 1 1 46 46 ASP HA H 46 4.367 4.367 4.386 -0.019 19178 2234 1 6 . 1 1 46 46 ASP C C 46 177.272 177.272 176.680 0.592 19178 2235 1 6 . 1 1 46 46 ASP CA C 46 54.869 54.869 55.282 -0.414 19178 2236 1 6 . 1 1 46 46 ASP CB C 46 42.461 42.461 40.498 1.963 19178 2237 1 6 . 1 1 46 46 ASP H H 46 8.387 8.387 8.434 -0.047 19178 2238 1 6 . 1 1 47 47 ALA N N 47 126.587 126.587 129.708 -3.121 19178 2239 1 6 . 1 1 47 47 ALA HA H 47 3.741 3.741 3.878 -0.137 19178 2240 1 6 . 1 1 47 47 ALA C C 47 177.980 177.980 178.010 -0.030 19178 2241 1 6 . 1 1 47 47 ALA CA C 47 53.866 53.866 53.434 0.432 19178 2242 1 6 . 1 1 47 47 ALA CB C 47 16.554 16.554 18.299 -1.745 19178 2243 1 6 . 1 1 47 47 ALA H H 47 8.747 8.747 8.183 0.564 19178 2244 1 6 . 1 1 48 48 SER N N 48 115.463 115.463 114.273 1.190 19178 2245 1 6 . 1 1 48 48 SER HA H 48 4.203 4.203 4.113 0.090 19178 2246 1 6 . 1 1 48 48 SER CA C 48 61.994 61.994 61.314 0.680 19178 2247 1 6 . 1 1 48 48 SER H H 48 8.973 8.973 8.139 0.834 19178 2248 1 6 . 1 1 49 49 SER C C 49 176.587 176.587 175.890 0.697 19178 2249 1 6 . 1 1 49 49 SER CA C 49 62.279 62.279 61.722 0.557 19178 2250 1 6 . 1 1 50 50 ALA N N 50 125.775 125.775 124.721 1.054 19178 2251 1 6 . 1 1 50 50 ALA HA H 50 4.076 4.076 4.197 -0.121 19178 2252 1 6 . 1 1 50 50 ALA C C 50 179.125 179.125 179.953 -0.828 19178 2253 1 6 . 1 1 50 50 ALA CA C 50 54.822 54.822 54.865 -0.044 19178 2254 1 6 . 1 1 50 50 ALA CB C 50 18.834 18.834 18.436 0.398 19178 2255 1 6 . 1 1 50 50 ALA H H 50 7.620 7.620 7.645 -0.025 19178 2256 1 6 . 1 1 51 51 TYR N N 51 117.562 117.562 118.112 -0.550 19178 2257 1 6 . 1 1 51 51 TYR HA H 51 4.275 4.275 4.198 0.077 19178 2258 1 6 . 1 1 51 51 TYR C C 51 179.622 179.622 178.727 0.895 19178 2259 1 6 . 1 1 51 51 TYR CA C 51 60.966 60.966 58.887 2.079 19178 2260 1 6 . 1 1 51 51 TYR CB C 51 36.803 36.803 37.108 -0.305 19178 2261 1 6 . 1 1 51 51 TYR H H 51 7.397 7.397 8.505 -1.108 19178 2262 1 6 . 1 1 52 52 LYS N N 52 121.441 121.441 119.876 1.565 19178 2263 1 6 . 1 1 52 52 LYS HA H 52 4.103 4.103 4.079 0.024 19178 2264 1 6 . 1 1 52 52 LYS C C 52 179.041 179.041 178.663 0.378 19178 2265 1 6 . 1 1 52 52 LYS CA C 52 59.827 59.827 58.859 0.968 19178 2266 1 6 . 1 1 52 52 LYS H H 52 8.332 8.332 8.162 0.170 19178 2267 1 6 . 1 1 53 53 LEU N N 53 122.286 122.286 120.349 1.937 19178 2268 1 6 . 1 1 53 53 LEU HA H 53 4.376 4.376 4.188 0.188 19178 2269 1 6 . 1 1 53 53 LEU C C 53 178.373 178.373 179.015 -0.642 19178 2270 1 6 . 1 1 53 53 LEU CA C 53 57.863 57.863 58.378 -0.515 19178 2271 1 6 . 1 1 53 53 LEU CB C 53 41.288 41.288 41.307 -0.019 19178 2272 1 6 . 1 1 53 53 LEU H H 53 7.671 7.671 8.199 -0.528 19178 2273 1 6 . 1 1 54 54 GLY N N 54 127.824 127.824 105.576 22.248 19178 2274 1 6 . 1 1 54 54 GLY C C 54 174.865 174.865 176.102 -1.237 19178 2275 1 6 . 1 1 54 54 GLY CA C 54 47.971 47.971 47.381 0.590 19178 2276 1 6 . 1 1 54 54 GLY H H 54 9.020 9.020 9.033 -0.013 19178 2277 1 6 . 1 1 55 55 THR N N 55 117.961 117.961 119.445 -1.484 19178 2278 1 6 . 1 1 55 55 THR HA H 55 4.445 4.445 4.218 0.227 19178 2279 1 6 . 1 1 55 55 THR C C 55 175.188 175.188 176.126 -0.938 19178 2280 1 6 . 1 1 55 55 THR CA C 55 67.593 67.593 67.407 0.186 19178 2281 1 6 . 1 1 55 55 THR H H 55 8.123 8.123 8.404 -0.281 19178 2282 1 6 . 1 1 56 56 TYR N N 56 122.294 122.294 122.383 -0.089 19178 2283 1 6 . 1 1 56 56 TYR HA H 56 4.346 4.346 4.631 -0.285 19178 2284 1 6 . 1 1 56 56 TYR C C 56 177.909 177.909 177.134 0.775 19178 2285 1 6 . 1 1 56 56 TYR CA C 56 61.147 61.147 60.214 0.933 19178 2286 1 6 . 1 1 56 56 TYR CB C 56 37.981 37.981 38.276 -0.295 19178 2287 1 6 . 1 1 56 56 TYR H H 56 7.697 7.697 8.241 -0.544 19178 2288 1 6 . 1 1 57 57 LEU N N 57 118.703 118.703 119.282 -0.579 19178 2289 1 6 . 1 1 57 57 LEU HA H 57 3.914 3.914 3.663 0.251 19178 2290 1 6 . 1 1 57 57 LEU C C 57 180.087 180.087 177.547 2.540 19178 2291 1 6 . 1 1 57 57 LEU CA C 57 57.780 57.780 56.847 0.933 19178 2292 1 6 . 1 1 57 57 LEU CB C 57 42.026 42.026 41.992 0.034 19178 2293 1 6 . 1 1 57 57 LEU H H 57 8.909 8.909 7.747 1.162 19178 2294 1 6 . 1 1 58 58 TYR N N 58 120.667 120.667 114.771 5.896 19178 2295 1 6 . 1 1 58 58 TYR HA H 58 4.209 4.209 4.379 -0.170 19178 2296 1 6 . 1 1 58 58 TYR C C 58 177.511 177.511 177.154 0.357 19178 2297 1 6 . 1 1 58 58 TYR CA C 58 61.641 61.641 59.485 2.156 19178 2298 1 6 . 1 1 58 58 TYR H H 58 8.971 8.971 7.969 1.002 19178 2299 1 6 . 1 1 59 59 GLN N N 59 119.344 119.344 116.929 2.415 19178 2300 1 6 . 1 1 59 59 GLN HA H 59 4.668 4.668 4.257 0.411 19178 2301 1 6 . 1 1 59 59 GLN C C 59 179.270 179.270 175.994 3.276 19178 2302 1 6 . 1 1 59 59 GLN H H 59 8.378 8.378 7.716 0.662 19178 2303 1 6 . 1 1 67 67 PHE HA H 67 4.852 4.852 4.495 0.357 19178 2304 1 6 . 1 1 67 67 PHE C C 67 175.889 175.889 175.498 0.391 19178 2305 1 6 . 1 1 67 67 PHE CA C 67 55.576 55.576 58.372 -2.796 19178 2306 1 6 . 1 1 67 67 PHE CB C 67 42.444 42.444 39.293 3.151 19178 2307 1 6 . 1 1 68 68 ASN N N 68 120.775 120.775 123.650 -2.875 19178 2308 1 6 . 1 1 68 68 ASN C C 68 175.338 175.338 175.170 0.168 19178 2309 1 6 . 1 1 68 68 ASN CA C 68 55.092 55.092 53.050 2.042 19178 2310 1 6 . 1 1 68 68 ASN CB C 68 40.006 40.006 39.370 0.636 19178 2311 1 6 . 1 1 68 68 ASN H H 68 9.560 9.560 8.459 1.101 19178 2312 1 6 . 1 1 69 69 THR N N 69 127.914 127.914 116.642 11.272 19178 2313 1 6 . 1 1 69 69 THR HA H 69 4.732 4.732 4.377 0.355 19178 2314 1 6 . 1 1 69 69 THR C C 69 173.530 173.530 175.637 -2.107 19178 2315 1 6 . 1 1 69 69 THR CA C 69 58.877 58.877 61.510 -2.632 19178 2316 1 6 . 1 1 69 69 THR CB C 69 73.620 73.620 69.971 3.649 19178 2317 1 6 . 1 1 69 69 THR H H 69 7.237 7.237 8.437 -1.200 19178 2318 1 6 . 1 1 70 70 LEU N N 70 122.013 122.013 126.516 -4.503 19178 2319 1 6 . 1 1 70 70 LEU HA H 70 3.005 3.005 4.246 -1.241 19178 2320 1 6 . 1 1 70 70 LEU C C 70 178.252 178.252 178.423 -0.171 19178 2321 1 6 . 1 1 70 70 LEU CA C 70 56.721 56.721 57.760 -1.039 19178 2322 1 6 . 1 1 70 70 LEU CB C 70 41.199 41.199 41.710 -0.511 19178 2323 1 6 . 1 1 70 70 LEU H H 70 8.614 8.614 8.740 -0.126 19178 2324 1 6 . 1 1 71 71 THR N N 71 114.041 114.041 114.814 -0.773 19178 2325 1 6 . 1 1 71 71 THR HA H 71 3.620 3.620 3.901 -0.281 19178 2326 1 6 . 1 1 71 71 THR C C 71 175.400 175.400 176.496 -1.096 19178 2327 1 6 . 1 1 71 71 THR CA C 71 66.405 66.405 67.252 -0.847 19178 2328 1 6 . 1 1 71 71 THR CB C 71 68.517 68.517 68.256 0.261 19178 2329 1 6 . 1 1 71 71 THR H H 71 7.694 7.694 8.171 -0.477 19178 2330 1 6 . 1 1 72 72 GLU N N 72 120.141 120.141 120.697 -0.556 19178 2331 1 6 . 1 1 72 72 GLU HA H 72 3.997 3.997 3.930 0.067 19178 2332 1 6 . 1 1 72 72 GLU C C 72 178.982 178.982 178.064 0.918 19178 2333 1 6 . 1 1 72 72 GLU CA C 72 59.250 59.250 59.327 -0.077 19178 2334 1 6 . 1 1 72 72 GLU CB C 72 30.907 30.907 29.232 1.675 19178 2335 1 6 . 1 1 72 72 GLU H H 72 7.514 7.514 7.735 -0.221 19178 2336 1 6 . 1 1 73 73 ALA N N 73 123.400 123.400 122.293 1.107 19178 2337 1 6 . 1 1 73 73 ALA HA H 73 2.167 2.167 3.457 -1.290 19178 2338 1 6 . 1 1 73 73 ALA C C 73 178.959 178.959 179.551 -0.592 19178 2339 1 6 . 1 1 73 73 ALA CA C 73 54.323 54.323 54.698 -0.375 19178 2340 1 6 . 1 1 73 73 ALA CB C 73 17.561 17.561 17.947 -0.386 19178 2341 1 6 . 1 1 73 73 ALA H H 73 6.788 6.788 7.350 -0.562 19178 2342 1 6 . 1 1 74 74 ARG N N 74 116.272 116.272 117.199 -0.927 19178 2343 1 6 . 1 1 74 74 ARG HA H 74 3.887 3.887 3.656 0.231 19178 2344 1 6 . 1 1 74 74 ARG C C 74 179.230 179.230 178.369 0.861 19178 2345 1 6 . 1 1 74 74 ARG CA C 74 60.442 60.442 59.716 0.726 19178 2346 1 6 . 1 1 74 74 ARG CB C 74 29.878 29.878 29.701 0.177 19178 2347 1 6 . 1 1 74 74 ARG H H 74 8.145 8.145 8.235 -0.090 19178 2348 1 6 . 1 1 75 75 ASP N N 75 120.487 120.487 118.551 1.936 19178 2349 1 6 . 1 1 75 75 ASP HA H 75 4.446 4.446 4.430 0.016 19178 2350 1 6 . 1 1 75 75 ASP C C 75 178.040 178.040 177.599 0.441 19178 2351 1 6 . 1 1 75 75 ASP CA C 75 57.166 57.166 57.003 0.163 19178 2352 1 6 . 1 1 75 75 ASP CB C 75 39.687 39.687 40.928 -1.241 19178 2353 1 6 . 1 1 75 75 ASP H H 75 8.594 8.594 8.115 0.479 19178 2354 1 6 . 1 1 76 76 ALA N N 76 122.773 122.773 123.345 -0.572 19178 2355 1 6 . 1 1 76 76 ALA HA H 76 4.345 4.345 4.038 0.307 19178 2356 1 6 . 1 1 76 76 ALA C C 76 181.221 181.221 179.750 1.471 19178 2357 1 6 . 1 1 76 76 ALA CA C 76 55.245 55.245 55.061 0.184 19178 2358 1 6 . 1 1 76 76 ALA CB C 76 18.316 18.316 18.649 -0.333 19178 2359 1 6 . 1 1 76 76 ALA H H 76 7.668 7.668 7.617 0.051 19178 2360 1 6 . 1 1 77 77 ILE N N 77 120.254 120.254 115.825 4.429 19178 2361 1 6 . 1 1 77 77 ILE HA H 77 3.632 3.632 3.847 -0.215 19178 2362 1 6 . 1 1 77 77 ILE C C 77 176.567 176.567 177.656 -1.089 19178 2363 1 6 . 1 1 77 77 ILE CA C 77 66.365 66.365 64.577 1.788 19178 2364 1 6 . 1 1 77 77 ILE CB C 77 37.947 37.947 37.389 0.558 19178 2365 1 6 . 1 1 77 77 ILE H H 77 7.724 7.724 8.275 -0.551 19178 2366 1 6 . 1 1 78 78 LYS N N 78 122.773 122.773 121.085 1.688 19178 2367 1 6 . 1 1 78 78 LYS HA H 78 4.265 4.265 3.852 0.413 19178 2368 1 6 . 1 1 78 78 LYS C C 78 178.382 178.382 178.629 -0.247 19178 2369 1 6 . 1 1 78 78 LYS CA C 78 60.442 60.442 59.690 0.752 19178 2370 1 6 . 1 1 78 78 LYS CB C 78 33.021 33.021 32.115 0.906 19178 2371 1 6 . 1 1 78 78 LYS H H 78 8.465 8.465 8.298 0.167 19178 2372 1 6 . 1 1 79 79 ASP N N 79 118.165 118.165 119.195 -1.030 19178 2373 1 6 . 1 1 79 79 ASP HA H 79 4.353 4.353 4.473 -0.120 19178 2374 1 6 . 1 1 79 79 ASP C C 79 179.289 179.289 178.219 1.070 19178 2375 1 6 . 1 1 79 79 ASP CA C 79 57.245 57.245 57.091 0.154 19178 2376 1 6 . 1 1 79 79 ASP H H 79 8.541 8.541 8.228 0.313 19178 2377 1 6 . 1 1 80 80 ALA N N 80 122.362 122.362 123.168 -0.806 19178 2378 1 6 . 1 1 80 80 ALA HA H 80 4.340 4.340 4.209 0.131 19178 2379 1 6 . 1 1 80 80 ALA C C 80 179.265 179.265 180.066 -0.801 19178 2380 1 6 . 1 1 80 80 ALA CA C 80 54.979 54.979 55.253 -0.274 19178 2381 1 6 . 1 1 80 80 ALA CB C 80 18.254 18.254 18.432 -0.178 19178 2382 1 6 . 1 1 80 80 ALA H H 80 7.727 7.727 7.978 -0.251 19178 2383 1 6 . 1 1 81 81 TYR N N 81 118.882 118.882 117.893 0.989 19178 2384 1 6 . 1 1 81 81 TYR HA H 81 4.115 4.115 4.258 -0.143 19178 2385 1 6 . 1 1 81 81 TYR C C 81 178.146 178.146 178.939 -0.793 19178 2386 1 6 . 1 1 81 81 TYR CA C 81 61.635 61.635 61.134 0.501 19178 2387 1 6 . 1 1 81 81 TYR CB C 81 38.115 38.115 38.168 -0.053 19178 2388 1 6 . 1 1 81 81 TYR H H 81 9.037 9.037 9.111 -0.074 19178 2389 1 6 . 1 1 82 82 GLU N N 82 116.630 116.630 116.578 0.052 19178 2390 1 6 . 1 1 82 82 GLU HA H 82 3.816 3.816 4.083 -0.267 19178 2391 1 6 . 1 1 82 82 GLU C C 82 178.664 178.664 178.345 0.319 19178 2392 1 6 . 1 1 82 82 GLU CA C 82 59.304 59.304 58.498 0.806 19178 2393 1 6 . 1 1 82 82 GLU CB C 82 28.848 28.848 29.288 -0.440 19178 2394 1 6 . 1 1 82 82 GLU H H 82 8.854 8.854 8.145 0.709 19178 2395 1 6 . 1 1 83 83 SER N N 83 114.004 114.004 116.267 -2.263 19178 2396 1 6 . 1 1 83 83 SER HA H 83 4.164 4.164 4.172 -0.008 19178 2397 1 6 . 1 1 83 83 SER C C 83 174.387 174.387 175.741 -1.354 19178 2398 1 6 . 1 1 83 83 SER CA C 83 61.038 61.038 60.742 0.296 19178 2399 1 6 . 1 1 83 83 SER CB C 83 63.152 63.152 63.146 0.006 19178 2400 1 6 . 1 1 83 83 SER H H 83 7.573 7.573 8.328 -0.755 19178 2401 1 6 . 1 1 84 84 TYR N N 84 117.323 117.323 118.549 -1.226 19178 2402 1 6 . 1 1 84 84 TYR HA H 84 4.595 4.595 4.648 -0.053 19178 2403 1 6 . 1 1 84 84 TYR C C 84 174.434 174.434 175.333 -0.899 19178 2404 1 6 . 1 1 84 84 TYR CA C 84 58.871 58.871 57.760 1.111 19178 2405 1 6 . 1 1 84 84 TYR CB C 84 41.746 41.746 39.134 2.612 19178 2406 1 6 . 1 1 84 84 TYR H H 84 7.319 7.319 8.332 -1.013 19178 2407 1 6 . 1 1 85 85 CYS N N 85 118.762 118.762 119.756 -0.994 19178 2408 1 6 . 1 1 85 85 CYS HA H 85 3.940 3.940 4.106 -0.166 19178 2409 1 6 . 1 1 85 85 CYS C C 85 176.178 176.178 176.182 -0.004 19178 2410 1 6 . 1 1 85 85 CYS CA C 85 58.817 58.817 61.959 -3.142 19178 2411 1 6 . 1 1 85 85 CYS CB C 85 26.042 26.042 27.840 -1.798 19178 2412 1 6 . 1 1 85 85 CYS H H 85 7.670 7.670 7.976 -0.306 19178 2413 1 6 . 1 1 86 86 GLY N N 86 113.730 113.730 116.254 -2.524 19178 2414 1 6 . 1 1 86 86 GLY C C 86 174.587 174.587 173.464 1.123 19178 2415 1 6 . 1 1 86 86 GLY CA C 86 45.214 45.214 44.990 0.224 19178 2416 1 6 . 1 1 86 86 GLY H H 86 10.799 10.799 8.898 1.901 19178 2417 1 6 . 1 1 87 87 ILE N N 87 122.743 122.743 117.638 5.105 19178 2418 1 6 . 1 1 87 87 ILE HA H 87 4.291 4.291 4.627 -0.336 19178 2419 1 6 . 1 1 87 87 ILE C C 87 174.340 174.340 173.603 0.737 19178 2420 1 6 . 1 1 87 87 ILE CA C 87 60.968 60.968 59.827 1.141 19178 2421 1 6 . 1 1 87 87 ILE CB C 87 35.512 35.512 39.604 -4.092 19178 2422 1 6 . 1 1 87 87 ILE H H 87 8.023 8.023 7.514 0.509 19178 2423 1 6 . 1 1 88 88 ASP N N 88 125.059 125.059 125.042 0.017 19178 2424 1 6 . 1 1 88 88 ASP HA H 88 4.750 4.750 5.033 -0.283 19178 2425 1 6 . 1 1 88 88 ASP C C 88 175.895 175.895 175.163 0.732 19178 2426 1 6 . 1 1 88 88 ASP CA C 88 54.319 54.319 53.740 0.579 19178 2427 1 6 . 1 1 88 88 ASP CB C 88 41.692 41.692 42.112 -0.420 19178 2428 1 6 . 1 1 88 88 ASP H H 88 8.127 8.127 8.986 -0.859 19178 2429 1 6 . 1 1 89 89 ASP N N 89 117.971 117.971 117.681 0.290 19178 2430 1 6 . 1 1 89 89 ASP HA H 89 4.822 4.822 4.744 0.078 19178 2431 1 6 . 1 1 89 89 ASP C C 89 174.069 174.069 175.430 -1.361 19178 2432 1 6 . 1 1 89 89 ASP CA C 89 52.369 52.369 51.877 0.492 19178 2433 1 6 . 1 1 89 89 ASP CB C 89 43.625 43.625 42.831 0.794 19178 2434 1 6 . 1 1 89 89 ASP H H 89 7.617 7.617 7.662 -0.045 19178 2435 1 6 . 1 1 90 90 CYS N N 90 126.238 126.238 121.907 4.331 19178 2436 1 6 . 1 1 90 90 CYS C C 90 175.636 175.636 175.468 0.168 19178 2437 1 6 . 1 1 90 90 CYS CA C 90 56.215 56.215 57.687 -1.472 19178 2438 1 6 . 1 1 90 90 CYS H H 90 8.936 8.936 8.562 0.374 19178 2439 1 6 . 1 1 91 91 PRO HA H 91 4.460 4.460 4.317 0.143 19178 2440 1 6 . 1 1 91 91 PRO C C 91 178.629 178.629 178.410 0.219 19178 2441 1 6 . 1 1 91 91 PRO CA C 91 64.614 64.614 65.396 -0.782 19178 2442 1 6 . 1 1 91 91 PRO CB C 91 32.208 32.208 32.125 0.083 19178 2443 1 6 . 1 1 92 92 GLN N N 92 119.363 119.363 118.235 1.128 19178 2444 1 6 . 1 1 92 92 GLN HA H 92 4.060 4.060 4.068 -0.008 19178 2445 1 6 . 1 1 92 92 GLN C C 92 178.181 178.181 178.307 -0.126 19178 2446 1 6 . 1 1 92 92 GLN CA C 92 57.837 57.837 59.024 -1.187 19178 2447 1 6 . 1 1 92 92 GLN CB C 92 28.252 28.252 27.838 0.414 19178 2448 1 6 . 1 1 92 92 GLN H H 92 8.253 8.253 8.552 -0.299 19178 2449 1 6 . 1 1 93 93 CYS N N 93 124.725 124.725 116.299 8.426 19178 2450 1 6 . 1 1 93 93 CYS HA H 93 4.269 4.269 4.432 -0.163 19178 2451 1 6 . 1 1 93 93 CYS C C 93 177.180 177.180 176.531 0.649 19178 2452 1 6 . 1 1 93 93 CYS CA C 93 64.366 64.366 62.282 2.084 19178 2453 1 6 . 1 1 93 93 CYS CB C 93 30.379 30.379 26.439 3.940 19178 2454 1 6 . 1 1 93 93 CYS H H 93 8.581 8.581 7.687 0.894 19178 2455 1 6 . 1 1 94 94 SER N N 94 113.467 113.467 113.707 -0.240 19178 2456 1 6 . 1 1 94 94 SER HA H 94 4.277 4.277 4.380 -0.103 19178 2457 1 6 . 1 1 94 94 SER C C 94 174.481 174.481 175.902 -1.421 19178 2458 1 6 . 1 1 94 94 SER CA C 94 59.432 59.432 60.824 -1.392 19178 2459 1 6 . 1 1 94 94 SER CB C 94 63.217 63.217 63.079 0.138 19178 2460 1 6 . 1 1 94 94 SER H H 94 7.753 7.753 7.727 0.026 19178 2461 1 6 . 1 1 95 95 LYS N N 95 121.369 121.369 121.341 0.028 19178 2462 1 6 . 1 1 95 95 LYS HA H 95 4.211 4.211 4.306 -0.095 19178 2463 1 6 . 1 1 95 95 LYS C C 95 176.237 176.237 176.317 -0.080 19178 2464 1 6 . 1 1 95 95 LYS CA C 95 56.622 56.622 56.608 0.014 19178 2465 1 6 . 1 1 95 95 LYS CB C 95 32.756 32.756 33.410 -0.654 19178 2466 1 6 . 1 1 95 95 LYS H H 95 7.520 7.520 7.708 -0.188 19178 2467 1 6 . 1 1 96 96 TYR N N 96 121.000 121.000 120.820 0.180 19178 2468 1 6 . 1 1 96 96 TYR HA H 96 4.559 4.559 4.592 -0.033 19178 2469 1 6 . 1 1 96 96 TYR C C 96 175.577 175.577 174.323 1.254 19178 2470 1 6 . 1 1 96 96 TYR CA C 96 58.039 58.039 57.722 0.317 19178 2471 1 6 . 1 1 96 96 TYR CB C 96 38.694 38.694 39.442 -0.748 19178 2472 1 6 . 1 1 96 96 TYR H H 96 8.005 8.005 7.820 0.185 19178 2473 1 6 . 1 1 97 97 ILE N N 97 123.003 123.003 126.826 -3.823 19178 2474 1 6 . 1 1 97 97 ILE HA H 97 4.120 4.120 4.094 0.026 19178 2475 1 6 . 1 1 97 97 ILE C C 97 175.194 175.194 175.044 0.150 19178 2476 1 6 . 1 1 97 97 ILE CA C 97 60.929 60.929 59.279 1.651 19178 2477 1 6 . 1 1 97 97 ILE CB C 97 39.044 39.044 39.778 -0.734 19178 2478 1 6 . 1 1 97 97 ILE H H 97 7.832 7.832 8.017 -0.185 19178 2479 1 6 . 1 1 98 98 ASP N N 98 125.070 125.070 122.915 2.155 19178 2480 1 6 . 1 1 98 98 ASP HA H 98 4.627 4.627 4.507 0.120 19178 2481 1 6 . 1 1 98 98 ASP C C 98 174.976 174.976 175.007 -0.031 19178 2482 1 6 . 1 1 98 98 ASP CA C 98 54.184 54.184 53.188 0.996 19178 2483 1 6 . 1 1 98 98 ASP CB C 98 41.502 41.502 40.777 0.725 19178 2484 1 6 . 1 1 98 98 ASP H H 98 8.245 8.245 8.215 0.030 19178 2485 1 7 . 1 1 16 16 GLN HA H 16 4.330 4.330 4.172 0.158 19178 2486 1 7 . 1 1 17 17 GLU N N 17 119.126 119.126 120.106 -0.980 19178 2487 1 7 . 1 1 17 17 GLU HA H 17 4.329 4.329 4.263 0.066 19178 2488 1 7 . 1 1 17 17 GLU H H 17 8.422 8.422 8.660 -0.238 19178 2489 1 7 . 1 1 18 18 GLN N N 18 120.450 120.450 118.878 1.572 19178 2490 1 7 . 1 1 18 18 GLN HA H 18 4.081 4.081 4.147 -0.066 19178 2491 1 7 . 1 1 18 18 GLN H H 18 8.729 8.729 8.568 0.161 19178 2492 1 7 . 1 1 19 19 TRP N N 19 121.902 121.902 120.658 1.244 19178 2493 1 7 . 1 1 19 19 TRP HA H 19 4.125 4.125 4.334 -0.209 19178 2494 1 7 . 1 1 19 19 TRP C C 19 179.400 179.400 176.459 2.941 19178 2495 1 7 . 1 1 19 19 TRP CA C 19 62.361 62.361 60.692 1.669 19178 2496 1 7 . 1 1 19 19 TRP CB C 19 29.938 29.938 29.221 0.717 19178 2497 1 7 . 1 1 19 19 TRP H H 19 8.561 8.561 8.091 0.470 19178 2498 1 7 . 1 1 20 20 ALA N N 20 122.759 122.759 121.348 1.411 19178 2499 1 7 . 1 1 20 20 ALA HA H 20 3.815 3.815 3.518 0.297 19178 2500 1 7 . 1 1 20 20 ALA C C 20 180.433 180.433 179.249 1.184 19178 2501 1 7 . 1 1 20 20 ALA CA C 20 55.619 55.619 54.360 1.259 19178 2502 1 7 . 1 1 20 20 ALA CB C 20 18.474 18.474 18.492 -0.018 19178 2503 1 7 . 1 1 20 20 ALA H H 20 8.828 8.828 7.272 1.556 19178 2504 1 7 . 1 1 21 21 MET N N 21 117.474 117.474 116.412 1.062 19178 2505 1 7 . 1 1 21 21 MET HA H 21 4.479 4.479 3.979 0.500 19178 2506 1 7 . 1 1 21 21 MET C C 21 178.744 178.744 178.367 0.377 19178 2507 1 7 . 1 1 21 21 MET CA C 21 56.778 56.778 58.640 -1.862 19178 2508 1 7 . 1 1 21 21 MET CB C 21 29.956 29.956 32.093 -2.137 19178 2509 1 7 . 1 1 21 21 MET H H 21 8.702 8.702 8.330 0.372 19178 2510 1 7 . 1 1 22 22 GLN N N 22 119.738 119.738 119.307 0.431 19178 2511 1 7 . 1 1 22 22 GLN HA H 22 4.025 4.025 3.847 0.178 19178 2512 1 7 . 1 1 22 22 GLN C C 22 180.104 180.104 178.538 1.566 19178 2513 1 7 . 1 1 22 22 GLN CA C 22 58.872 58.872 59.639 -0.767 19178 2514 1 7 . 1 1 22 22 GLN CB C 22 27.880 27.880 28.019 -0.139 19178 2515 1 7 . 1 1 22 22 GLN H H 22 8.531 8.531 7.374 1.157 19178 2516 1 7 . 1 1 23 23 THR N N 23 117.049 117.049 116.629 0.420 19178 2517 1 7 . 1 1 23 23 THR HA H 23 3.715 3.715 3.851 -0.136 19178 2518 1 7 . 1 1 23 23 THR C C 23 177.477 177.477 176.771 0.706 19178 2519 1 7 . 1 1 23 23 THR CA C 23 66.380 66.380 65.473 0.907 19178 2520 1 7 . 1 1 23 23 THR CB C 23 67.579 67.579 68.434 -0.855 19178 2521 1 7 . 1 1 23 23 THR H H 23 7.752 7.752 7.702 0.050 19178 2522 1 7 . 1 1 24 24 LEU N N 24 125.735 125.735 121.531 4.204 19178 2523 1 7 . 1 1 24 24 LEU HA H 24 3.731 3.731 3.891 -0.160 19178 2524 1 7 . 1 1 24 24 LEU C C 24 178.544 178.544 179.315 -0.771 19178 2525 1 7 . 1 1 24 24 LEU CA C 24 58.882 58.882 58.628 0.254 19178 2526 1 7 . 1 1 24 24 LEU CB C 24 41.550 41.550 41.944 -0.395 19178 2527 1 7 . 1 1 24 24 LEU H H 24 7.886 7.886 7.565 0.321 19178 2528 1 7 . 1 1 25 25 MET N N 25 118.622 118.622 118.559 0.063 19178 2529 1 7 . 1 1 25 25 MET HA H 25 4.717 4.717 4.243 0.474 19178 2530 1 7 . 1 1 25 25 MET C C 25 181.465 181.465 178.125 3.340 19178 2531 1 7 . 1 1 25 25 MET CA C 25 55.604 55.604 58.643 -3.039 19178 2532 1 7 . 1 1 25 25 MET CB C 25 32.071 32.071 32.624 -0.553 19178 2533 1 7 . 1 1 25 25 MET H H 25 8.619 8.619 8.510 0.109 19178 2534 1 7 . 1 1 26 26 GLY N N 26 110.755 110.755 106.829 3.926 19178 2535 1 7 . 1 1 26 26 GLY C C 26 174.662 174.662 175.469 -0.807 19178 2536 1 7 . 1 1 26 26 GLY CA C 26 46.788 46.788 46.152 0.636 19178 2537 1 7 . 1 1 26 26 GLY H H 26 8.953 8.953 8.166 0.787 19178 2538 1 7 . 1 1 27 27 SER N N 27 109.977 109.977 116.568 -6.591 19178 2539 1 7 . 1 1 27 27 SER HA H 27 4.422 4.422 4.260 0.162 19178 2540 1 7 . 1 1 27 27 SER C C 27 175.612 175.612 175.605 0.007 19178 2541 1 7 . 1 1 27 27 SER CA C 27 58.309 58.309 59.424 -1.115 19178 2542 1 7 . 1 1 27 27 SER CB C 27 64.423 64.423 63.485 0.938 19178 2543 1 7 . 1 1 27 27 SER H H 27 7.335 7.335 7.783 -0.448 19178 2544 1 7 . 1 1 28 28 GLY N N 28 110.105 110.105 107.524 2.581 19178 2545 1 7 . 1 1 28 28 GLY C C 28 174.029 174.029 174.871 -0.842 19178 2546 1 7 . 1 1 28 28 GLY CA C 28 45.371 45.371 45.538 -0.167 19178 2547 1 7 . 1 1 28 28 GLY H H 28 7.536 7.536 7.759 -0.223 19178 2548 1 7 . 1 1 29 29 VAL N N 29 121.444 121.444 119.415 2.029 19178 2549 1 7 . 1 1 29 29 VAL HA H 29 4.720 4.720 3.787 0.933 19178 2550 1 7 . 1 1 29 29 VAL C C 29 177.149 177.149 175.867 1.282 19178 2551 1 7 . 1 1 29 29 VAL CA C 29 66.474 66.474 64.577 1.897 19178 2552 1 7 . 1 1 29 29 VAL CB C 29 32.694 32.694 32.145 0.549 19178 2553 1 7 . 1 1 29 29 VAL H H 29 7.738 7.738 7.828 -0.090 19178 2554 1 7 . 1 1 30 30 LEU N N 30 115.594 115.594 116.824 -1.230 19178 2555 1 7 . 1 1 30 30 LEU HA H 30 5.349 5.349 4.253 1.096 19178 2556 1 7 . 1 1 30 30 LEU C C 30 174.427 174.427 175.176 -0.749 19178 2557 1 7 . 1 1 30 30 LEU CA C 30 52.231 52.231 53.403 -1.172 19178 2558 1 7 . 1 1 30 30 LEU CB C 30 43.525 43.525 43.497 0.028 19178 2559 1 7 . 1 1 30 30 LEU H H 30 7.090 7.090 7.313 -0.223 19178 2560 1 7 . 1 1 31 31 ALA N N 31 122.020 122.020 121.850 0.170 19178 2561 1 7 . 1 1 31 31 ALA HA H 31 4.539 4.539 4.698 -0.159 19178 2562 1 7 . 1 1 31 31 ALA C C 31 175.130 175.130 175.215 -0.085 19178 2563 1 7 . 1 1 31 31 ALA CA C 31 50.963 50.963 50.902 0.061 19178 2564 1 7 . 1 1 31 31 ALA CB C 31 22.314 22.314 21.795 0.519 19178 2565 1 7 . 1 1 31 31 ALA H H 31 8.981 8.981 8.697 0.284 19178 2566 1 7 . 1 1 32 32 ARG N N 32 118.606 118.606 121.084 -2.478 19178 2567 1 7 . 1 1 32 32 ARG HA H 32 5.342 5.342 4.554 0.788 19178 2568 1 7 . 1 1 32 32 ARG C C 32 178.051 178.051 175.235 2.816 19178 2569 1 7 . 1 1 32 32 ARG CA C 32 54.543 54.543 54.937 -0.394 19178 2570 1 7 . 1 1 32 32 ARG CB C 32 31.485 31.485 33.477 -1.992 19178 2571 1 7 . 1 1 32 32 ARG H H 32 8.223 8.223 8.264 -0.041 19178 2572 1 7 . 1 1 33 33 CYS N N 33 125.750 125.750 121.293 4.457 19178 2573 1 7 . 1 1 33 33 CYS HA H 33 4.117 4.117 4.549 -0.432 19178 2574 1 7 . 1 1 33 33 CYS C C 33 175.978 175.978 176.504 -0.526 19178 2575 1 7 . 1 1 33 33 CYS CA C 33 60.620 60.620 59.473 1.147 19178 2576 1 7 . 1 1 33 33 CYS CB C 33 27.213 27.213 28.441 -1.228 19178 2577 1 7 . 1 1 33 33 CYS H H 33 8.314 8.314 8.570 -0.256 19178 2578 1 7 . 1 1 34 34 ARG N N 34 128.053 128.053 126.212 1.841 19178 2579 1 7 . 1 1 34 34 ARG HA H 34 3.926 3.926 4.052 -0.126 19178 2580 1 7 . 1 1 34 34 ARG C C 34 176.565 176.565 175.681 0.884 19178 2581 1 7 . 1 1 34 34 ARG CA C 34 58.719 58.719 58.717 0.002 19178 2582 1 7 . 1 1 34 34 ARG CB C 34 30.159 30.159 29.852 0.307 19178 2583 1 7 . 1 1 34 34 ARG H H 34 8.578 8.578 8.884 -0.306 19178 2584 1 7 . 1 1 35 35 ILE N N 35 122.502 122.502 117.124 5.378 19178 2585 1 7 . 1 1 35 35 ILE HA H 35 3.843 3.843 4.142 -0.299 19178 2586 1 7 . 1 1 35 35 ILE C C 35 176.028 176.028 175.061 0.967 19178 2587 1 7 . 1 1 35 35 ILE CA C 35 62.035 62.035 61.165 0.870 19178 2588 1 7 . 1 1 35 35 ILE CB C 35 39.125 39.125 38.158 0.967 19178 2589 1 7 . 1 1 35 35 ILE H H 35 8.932 8.932 7.329 1.603 19178 2590 1 7 . 1 1 36 36 HIS N N 36 121.974 121.974 118.688 3.286 19178 2591 1 7 . 1 1 36 36 HIS HA H 36 4.569 4.569 4.849 -0.280 19178 2592 1 7 . 1 1 36 36 HIS CB C 36 31.187 31.187 30.147 1.040 19178 2593 1 7 . 1 1 36 36 HIS H H 36 8.078 8.078 7.643 0.435 19178 2594 1 7 . 1 1 37 37 ASN N N 37 119.433 119.433 119.793 -0.360 19178 2595 1 7 . 1 1 37 37 ASN HA H 37 4.399 4.399 4.683 -0.284 19178 2596 1 7 . 1 1 37 37 ASN C C 37 173.906 173.906 174.356 -0.450 19178 2597 1 7 . 1 1 37 37 ASN CA C 37 56.407 56.407 54.455 1.952 19178 2598 1 7 . 1 1 37 37 ASN CB C 37 39.331 39.331 39.830 -0.499 19178 2599 1 7 . 1 1 37 37 ASN H H 37 8.386 8.386 8.623 -0.237 19178 2600 1 7 . 1 1 38 38 ASP N N 38 112.673 112.673 116.544 -3.871 19178 2601 1 7 . 1 1 38 38 ASP HA H 38 4.385 4.385 4.852 -0.467 19178 2602 1 7 . 1 1 38 38 ASP C C 38 175.841 175.841 174.590 1.251 19178 2603 1 7 . 1 1 38 38 ASP CA C 38 53.983 53.983 53.889 0.094 19178 2604 1 7 . 1 1 38 38 ASP CB C 38 40.263 40.263 40.268 -0.005 19178 2605 1 7 . 1 1 38 38 ASP H H 38 8.880 8.880 8.104 0.776 19178 2606 1 7 . 1 1 39 39 VAL N N 39 124.385 124.385 119.185 5.200 19178 2607 1 7 . 1 1 39 39 VAL HA H 39 3.944 3.944 4.264 -0.320 19178 2608 1 7 . 1 1 39 39 VAL C C 39 173.731 173.731 174.174 -0.443 19178 2609 1 7 . 1 1 39 39 VAL CA C 39 63.514 63.514 60.090 3.424 19178 2610 1 7 . 1 1 39 39 VAL CB C 39 32.408 32.408 35.098 -2.690 19178 2611 1 7 . 1 1 39 39 VAL H H 39 8.253 8.253 7.486 0.767 19178 2612 1 7 . 1 1 40 40 ILE N N 40 128.130 128.130 126.179 1.951 19178 2613 1 7 . 1 1 40 40 ILE HA H 40 4.222 4.222 4.250 -0.028 19178 2614 1 7 . 1 1 40 40 ILE C C 40 174.090 174.090 173.859 0.231 19178 2615 1 7 . 1 1 40 40 ILE CA C 40 60.635 60.635 59.129 1.506 19178 2616 1 7 . 1 1 40 40 ILE CB C 40 38.281 38.281 39.466 -1.185 19178 2617 1 7 . 1 1 40 40 ILE H H 40 7.836 7.836 7.785 0.051 19178 2618 1 7 . 1 1 41 41 LEU N N 41 124.924 124.924 127.828 -2.904 19178 2619 1 7 . 1 1 41 41 LEU HA H 41 4.884 4.884 5.086 -0.202 19178 2620 1 7 . 1 1 41 41 LEU C C 41 175.989 175.989 175.490 0.499 19178 2621 1 7 . 1 1 41 41 LEU CA C 41 52.654 52.654 52.291 0.363 19178 2622 1 7 . 1 1 41 41 LEU CB C 41 45.122 45.122 45.298 -0.176 19178 2623 1 7 . 1 1 41 41 LEU H H 41 8.836 8.836 8.631 0.205 19178 2624 1 7 . 1 1 42 42 ASP N N 42 119.247 119.247 120.447 -1.200 19178 2625 1 7 . 1 1 42 42 ASP HA H 42 4.858 4.858 4.521 0.337 19178 2626 1 7 . 1 1 42 42 ASP C C 42 176.128 176.128 175.224 0.904 19178 2627 1 7 . 1 1 42 42 ASP CA C 42 53.328 53.328 54.895 -1.567 19178 2628 1 7 . 1 1 42 42 ASP CB C 42 41.408 41.408 42.022 -0.614 19178 2629 1 7 . 1 1 42 42 ASP H H 42 8.725 8.725 8.416 0.309 19178 2630 1 7 . 1 1 43 43 SER N N 43 123.344 123.344 121.200 2.144 19178 2631 1 7 . 1 1 43 43 SER HA H 43 4.178 4.178 4.628 -0.450 19178 2632 1 7 . 1 1 43 43 SER C C 43 176.291 176.291 175.237 1.054 19178 2633 1 7 . 1 1 43 43 SER CA C 43 60.431 60.431 58.388 2.043 19178 2634 1 7 . 1 1 43 43 SER CB C 43 64.943 64.943 64.571 0.372 19178 2635 1 7 . 1 1 43 43 SER H H 43 8.462 8.462 8.681 -0.219 19178 2636 1 7 . 1 1 44 44 GLY N N 44 112.184 112.184 109.697 2.487 19178 2637 1 7 . 1 1 44 44 GLY C C 44 174.525 174.525 173.911 0.614 19178 2638 1 7 . 1 1 44 44 GLY CA C 44 45.368 45.368 44.906 0.463 19178 2639 1 7 . 1 1 44 44 GLY H H 44 9.230 9.230 8.151 1.079 19178 2640 1 7 . 1 1 45 45 ASN N N 45 119.774 119.774 118.035 1.739 19178 2641 1 7 . 1 1 45 45 ASN HA H 45 4.681 4.681 4.870 -0.189 19178 2642 1 7 . 1 1 45 45 ASN C C 45 174.866 174.866 174.413 0.453 19178 2643 1 7 . 1 1 45 45 ASN CA C 45 52.807 52.807 52.243 0.564 19178 2644 1 7 . 1 1 45 45 ASN CB C 45 39.241 39.241 40.406 -1.165 19178 2645 1 7 . 1 1 45 45 ASN H H 45 8.486 8.486 7.872 0.614 19178 2646 1 7 . 1 1 46 46 ASP N N 46 120.223 120.223 120.706 -0.483 19178 2647 1 7 . 1 1 46 46 ASP HA H 46 4.367 4.367 4.429 -0.062 19178 2648 1 7 . 1 1 46 46 ASP C C 46 177.272 177.272 176.048 1.224 19178 2649 1 7 . 1 1 46 46 ASP CA C 46 54.869 54.869 55.273 -0.404 19178 2650 1 7 . 1 1 46 46 ASP CB C 46 42.461 42.461 40.925 1.536 19178 2651 1 7 . 1 1 46 46 ASP H H 46 8.387 8.387 8.588 -0.201 19178 2652 1 7 . 1 1 47 47 ALA N N 47 126.587 126.587 129.260 -2.673 19178 2653 1 7 . 1 1 47 47 ALA HA H 47 3.741 3.741 3.938 -0.197 19178 2654 1 7 . 1 1 47 47 ALA C C 47 177.980 177.980 177.973 0.007 19178 2655 1 7 . 1 1 47 47 ALA CA C 47 53.866 53.866 54.063 -0.197 19178 2656 1 7 . 1 1 47 47 ALA CB C 47 16.554 16.554 18.837 -2.283 19178 2657 1 7 . 1 1 47 47 ALA H H 47 8.747 8.747 8.354 0.393 19178 2658 1 7 . 1 1 48 48 SER N N 48 115.463 115.463 114.265 1.198 19178 2659 1 7 . 1 1 48 48 SER HA H 48 4.203 4.203 3.843 0.360 19178 2660 1 7 . 1 1 48 48 SER CA C 48 61.994 61.994 61.784 0.210 19178 2661 1 7 . 1 1 48 48 SER H H 48 8.973 8.973 8.298 0.675 19178 2662 1 7 . 1 1 49 49 SER C C 49 176.587 176.587 175.590 0.997 19178 2663 1 7 . 1 1 49 49 SER CA C 49 62.279 62.279 61.330 0.950 19178 2664 1 7 . 1 1 50 50 ALA N N 50 125.775 125.775 124.477 1.298 19178 2665 1 7 . 1 1 50 50 ALA HA H 50 4.076 4.076 4.020 0.056 19178 2666 1 7 . 1 1 50 50 ALA C C 50 179.125 179.125 179.921 -0.796 19178 2667 1 7 . 1 1 50 50 ALA CA C 50 54.822 54.822 54.895 -0.073 19178 2668 1 7 . 1 1 50 50 ALA CB C 50 18.834 18.834 18.237 0.597 19178 2669 1 7 . 1 1 50 50 ALA H H 50 7.620 7.620 7.282 0.338 19178 2670 1 7 . 1 1 51 51 TYR N N 51 117.562 117.562 117.402 0.160 19178 2671 1 7 . 1 1 51 51 TYR HA H 51 4.275 4.275 4.105 0.170 19178 2672 1 7 . 1 1 51 51 TYR C C 51 179.622 179.622 178.763 0.859 19178 2673 1 7 . 1 1 51 51 TYR CA C 51 60.966 60.966 59.185 1.781 19178 2674 1 7 . 1 1 51 51 TYR CB C 51 36.803 36.803 36.932 -0.129 19178 2675 1 7 . 1 1 51 51 TYR H H 51 7.397 7.397 8.152 -0.755 19178 2676 1 7 . 1 1 52 52 LYS N N 52 121.441 121.441 120.478 0.963 19178 2677 1 7 . 1 1 52 52 LYS HA H 52 4.103 4.103 4.114 -0.011 19178 2678 1 7 . 1 1 52 52 LYS C C 52 179.041 179.041 179.191 -0.150 19178 2679 1 7 . 1 1 52 52 LYS CA C 52 59.827 59.827 59.457 0.370 19178 2680 1 7 . 1 1 52 52 LYS H H 52 8.332 8.332 8.166 0.166 19178 2681 1 7 . 1 1 53 53 LEU N N 53 122.286 122.286 120.342 1.944 19178 2682 1 7 . 1 1 53 53 LEU HA H 53 4.376 4.376 4.100 0.276 19178 2683 1 7 . 1 1 53 53 LEU C C 53 178.373 178.373 178.956 -0.583 19178 2684 1 7 . 1 1 53 53 LEU CA C 53 57.863 57.863 57.798 0.065 19178 2685 1 7 . 1 1 53 53 LEU CB C 53 41.288 41.288 41.259 0.029 19178 2686 1 7 . 1 1 53 53 LEU H H 53 7.671 7.671 8.458 -0.787 19178 2687 1 7 . 1 1 54 54 GLY N N 54 127.824 127.824 106.622 21.202 19178 2688 1 7 . 1 1 54 54 GLY C C 54 174.865 174.865 175.768 -0.903 19178 2689 1 7 . 1 1 54 54 GLY CA C 54 47.971 47.971 47.241 0.730 19178 2690 1 7 . 1 1 54 54 GLY H H 54 9.020 9.020 8.616 0.404 19178 2691 1 7 . 1 1 55 55 THR N N 55 117.961 117.961 118.298 -0.337 19178 2692 1 7 . 1 1 55 55 THR HA H 55 4.445 4.445 4.180 0.265 19178 2693 1 7 . 1 1 55 55 THR C C 55 175.188 175.188 176.489 -1.301 19178 2694 1 7 . 1 1 55 55 THR CA C 55 67.593 67.593 66.186 1.407 19178 2695 1 7 . 1 1 55 55 THR H H 55 8.123 8.123 8.355 -0.232 19178 2696 1 7 . 1 1 56 56 TYR N N 56 122.294 122.294 124.648 -2.354 19178 2697 1 7 . 1 1 56 56 TYR HA H 56 4.346 4.346 4.529 -0.183 19178 2698 1 7 . 1 1 56 56 TYR C C 56 177.909 177.909 178.120 -0.211 19178 2699 1 7 . 1 1 56 56 TYR CA C 56 61.147 61.147 61.176 -0.029 19178 2700 1 7 . 1 1 56 56 TYR CB C 56 37.981 37.981 38.550 -0.570 19178 2701 1 7 . 1 1 56 56 TYR H H 56 7.697 7.697 8.408 -0.711 19178 2702 1 7 . 1 1 57 57 LEU N N 57 118.703 118.703 119.643 -0.940 19178 2703 1 7 . 1 1 57 57 LEU HA H 57 3.914 3.914 3.934 -0.020 19178 2704 1 7 . 1 1 57 57 LEU C C 57 180.087 180.087 179.097 0.990 19178 2705 1 7 . 1 1 57 57 LEU CA C 57 57.780 57.780 57.551 0.229 19178 2706 1 7 . 1 1 57 57 LEU CB C 57 42.026 42.026 41.374 0.652 19178 2707 1 7 . 1 1 57 57 LEU H H 57 8.909 8.909 7.940 0.969 19178 2708 1 7 . 1 1 58 58 TYR N N 58 120.667 120.667 115.921 4.746 19178 2709 1 7 . 1 1 58 58 TYR HA H 58 4.209 4.209 4.360 -0.151 19178 2710 1 7 . 1 1 58 58 TYR C C 58 177.511 177.511 176.961 0.550 19178 2711 1 7 . 1 1 58 58 TYR CA C 58 61.641 61.641 60.409 1.232 19178 2712 1 7 . 1 1 58 58 TYR H H 58 8.971 8.971 8.097 0.874 19178 2713 1 7 . 1 1 59 59 GLN N N 59 119.344 119.344 116.279 3.065 19178 2714 1 7 . 1 1 59 59 GLN HA H 59 4.668 4.668 4.584 0.084 19178 2715 1 7 . 1 1 59 59 GLN C C 59 179.270 179.270 174.955 4.315 19178 2716 1 7 . 1 1 59 59 GLN H H 59 8.378 8.378 8.147 0.231 19178 2717 1 7 . 1 1 67 67 PHE HA H 67 4.852 4.852 4.659 0.193 19178 2718 1 7 . 1 1 67 67 PHE C C 67 175.889 175.889 174.539 1.350 19178 2719 1 7 . 1 1 67 67 PHE CA C 67 55.576 55.576 56.399 -0.823 19178 2720 1 7 . 1 1 67 67 PHE CB C 67 42.444 42.444 41.725 0.719 19178 2721 1 7 . 1 1 68 68 ASN N N 68 120.775 120.775 120.699 0.076 19178 2722 1 7 . 1 1 68 68 ASN C C 68 175.338 175.338 175.501 -0.163 19178 2723 1 7 . 1 1 68 68 ASN CA C 68 55.092 55.092 52.983 2.109 19178 2724 1 7 . 1 1 68 68 ASN CB C 68 40.006 40.006 39.326 0.680 19178 2725 1 7 . 1 1 68 68 ASN H H 68 9.560 9.560 8.641 0.919 19178 2726 1 7 . 1 1 69 69 THR N N 69 127.914 127.914 119.358 8.556 19178 2727 1 7 . 1 1 69 69 THR HA H 69 4.732 4.732 4.320 0.412 19178 2728 1 7 . 1 1 69 69 THR C C 69 173.530 173.530 174.915 -1.385 19178 2729 1 7 . 1 1 69 69 THR CA C 69 58.877 58.877 62.765 -3.888 19178 2730 1 7 . 1 1 69 69 THR CB C 69 73.620 73.620 69.605 4.015 19178 2731 1 7 . 1 1 69 69 THR H H 69 7.237 7.237 8.585 -1.348 19178 2732 1 7 . 1 1 70 70 LEU N N 70 122.013 122.013 129.161 -7.148 19178 2733 1 7 . 1 1 70 70 LEU HA H 70 3.005 3.005 4.406 -1.401 19178 2734 1 7 . 1 1 70 70 LEU C C 70 178.252 178.252 177.965 0.287 19178 2735 1 7 . 1 1 70 70 LEU CA C 70 56.721 56.721 57.231 -0.510 19178 2736 1 7 . 1 1 70 70 LEU CB C 70 41.199 41.199 41.642 -0.442 19178 2737 1 7 . 1 1 70 70 LEU H H 70 8.614 8.614 8.876 -0.262 19178 2738 1 7 . 1 1 71 71 THR N N 71 114.041 114.041 114.798 -0.757 19178 2739 1 7 . 1 1 71 71 THR HA H 71 3.620 3.620 3.930 -0.310 19178 2740 1 7 . 1 1 71 71 THR C C 71 175.400 175.400 176.678 -1.278 19178 2741 1 7 . 1 1 71 71 THR CA C 71 66.405 66.405 66.134 0.271 19178 2742 1 7 . 1 1 71 71 THR CB C 71 68.517 68.517 67.900 0.617 19178 2743 1 7 . 1 1 71 71 THR H H 71 7.694 7.694 8.337 -0.643 19178 2744 1 7 . 1 1 72 72 GLU N N 72 120.141 120.141 121.488 -1.347 19178 2745 1 7 . 1 1 72 72 GLU HA H 72 3.997 3.997 3.935 0.062 19178 2746 1 7 . 1 1 72 72 GLU C C 72 178.982 178.982 178.305 0.677 19178 2747 1 7 . 1 1 72 72 GLU CA C 72 59.250 59.250 59.505 -0.256 19178 2748 1 7 . 1 1 72 72 GLU CB C 72 30.907 30.907 29.229 1.678 19178 2749 1 7 . 1 1 72 72 GLU H H 72 7.514 7.514 7.524 -0.010 19178 2750 1 7 . 1 1 73 73 ALA N N 73 123.400 123.400 122.548 0.852 19178 2751 1 7 . 1 1 73 73 ALA HA H 73 2.167 2.167 3.908 -1.741 19178 2752 1 7 . 1 1 73 73 ALA C C 73 178.959 178.959 179.056 -0.097 19178 2753 1 7 . 1 1 73 73 ALA CA C 73 54.323 54.323 55.426 -1.103 19178 2754 1 7 . 1 1 73 73 ALA CB C 73 17.561 17.561 18.514 -0.953 19178 2755 1 7 . 1 1 73 73 ALA H H 73 6.788 6.788 7.527 -0.739 19178 2756 1 7 . 1 1 74 74 ARG N N 74 116.272 116.272 117.114 -0.842 19178 2757 1 7 . 1 1 74 74 ARG HA H 74 3.887 3.887 3.534 0.353 19178 2758 1 7 . 1 1 74 74 ARG C C 74 179.230 179.230 177.885 1.345 19178 2759 1 7 . 1 1 74 74 ARG CA C 74 60.442 60.442 59.076 1.366 19178 2760 1 7 . 1 1 74 74 ARG CB C 74 29.878 29.878 29.422 0.456 19178 2761 1 7 . 1 1 74 74 ARG H H 74 8.145 8.145 8.488 -0.343 19178 2762 1 7 . 1 1 75 75 ASP N N 75 120.487 120.487 119.786 0.701 19178 2763 1 7 . 1 1 75 75 ASP HA H 75 4.446 4.446 4.486 -0.040 19178 2764 1 7 . 1 1 75 75 ASP C C 75 178.040 178.040 177.764 0.276 19178 2765 1 7 . 1 1 75 75 ASP CA C 75 57.166 57.166 56.662 0.504 19178 2766 1 7 . 1 1 75 75 ASP CB C 75 39.687 39.687 40.267 -0.581 19178 2767 1 7 . 1 1 75 75 ASP H H 75 8.594 8.594 8.080 0.514 19178 2768 1 7 . 1 1 76 76 ALA N N 76 122.773 122.773 123.605 -0.832 19178 2769 1 7 . 1 1 76 76 ALA HA H 76 4.345 4.345 4.079 0.266 19178 2770 1 7 . 1 1 76 76 ALA C C 76 181.221 181.221 179.364 1.857 19178 2771 1 7 . 1 1 76 76 ALA CA C 76 55.245 55.245 55.413 -0.168 19178 2772 1 7 . 1 1 76 76 ALA CB C 76 18.316 18.316 18.692 -0.376 19178 2773 1 7 . 1 1 76 76 ALA H H 76 7.668 7.668 7.757 -0.089 19178 2774 1 7 . 1 1 77 77 ILE N N 77 120.254 120.254 114.965 5.289 19178 2775 1 7 . 1 1 77 77 ILE HA H 77 3.632 3.632 3.910 -0.278 19178 2776 1 7 . 1 1 77 77 ILE C C 77 176.567 176.567 177.360 -0.793 19178 2777 1 7 . 1 1 77 77 ILE CA C 77 66.365 66.365 63.805 2.560 19178 2778 1 7 . 1 1 77 77 ILE CB C 77 37.947 37.947 36.636 1.311 19178 2779 1 7 . 1 1 77 77 ILE H H 77 7.724 7.724 8.381 -0.657 19178 2780 1 7 . 1 1 78 78 LYS N N 78 122.773 122.773 121.170 1.603 19178 2781 1 7 . 1 1 78 78 LYS HA H 78 4.265 4.265 3.937 0.328 19178 2782 1 7 . 1 1 78 78 LYS C C 78 178.382 178.382 178.269 0.113 19178 2783 1 7 . 1 1 78 78 LYS CA C 78 60.442 60.442 59.089 1.353 19178 2784 1 7 . 1 1 78 78 LYS CB C 78 33.021 33.021 31.629 1.392 19178 2785 1 7 . 1 1 78 78 LYS H H 78 8.465 8.465 8.030 0.435 19178 2786 1 7 . 1 1 79 79 ASP N N 79 118.165 118.165 119.492 -1.327 19178 2787 1 7 . 1 1 79 79 ASP HA H 79 4.353 4.353 4.469 -0.116 19178 2788 1 7 . 1 1 79 79 ASP C C 79 179.289 179.289 178.143 1.146 19178 2789 1 7 . 1 1 79 79 ASP CA C 79 57.245 57.245 57.373 -0.128 19178 2790 1 7 . 1 1 79 79 ASP H H 79 8.541 8.541 8.064 0.477 19178 2791 1 7 . 1 1 80 80 ALA N N 80 122.362 122.362 122.734 -0.372 19178 2792 1 7 . 1 1 80 80 ALA HA H 80 4.340 4.340 4.076 0.264 19178 2793 1 7 . 1 1 80 80 ALA C C 80 179.265 179.265 179.889 -0.624 19178 2794 1 7 . 1 1 80 80 ALA CA C 80 54.979 54.979 55.551 -0.572 19178 2795 1 7 . 1 1 80 80 ALA CB C 80 18.254 18.254 18.724 -0.470 19178 2796 1 7 . 1 1 80 80 ALA H H 80 7.727 7.727 8.353 -0.626 19178 2797 1 7 . 1 1 81 81 TYR N N 81 118.882 118.882 118.521 0.361 19178 2798 1 7 . 1 1 81 81 TYR HA H 81 4.115 4.115 4.266 -0.151 19178 2799 1 7 . 1 1 81 81 TYR C C 81 178.146 178.146 178.685 -0.539 19178 2800 1 7 . 1 1 81 81 TYR CA C 81 61.635 61.635 61.030 0.605 19178 2801 1 7 . 1 1 81 81 TYR CB C 81 38.115 38.115 38.093 0.023 19178 2802 1 7 . 1 1 81 81 TYR H H 81 9.037 9.037 9.131 -0.094 19178 2803 1 7 . 1 1 82 82 GLU N N 82 116.630 116.630 117.858 -1.228 19178 2804 1 7 . 1 1 82 82 GLU HA H 82 3.816 3.816 4.125 -0.309 19178 2805 1 7 . 1 1 82 82 GLU C C 82 178.664 178.664 177.958 0.706 19178 2806 1 7 . 1 1 82 82 GLU CA C 82 59.304 59.304 58.527 0.777 19178 2807 1 7 . 1 1 82 82 GLU CB C 82 28.848 28.848 29.560 -0.712 19178 2808 1 7 . 1 1 82 82 GLU H H 82 8.854 8.854 7.911 0.943 19178 2809 1 7 . 1 1 83 83 SER N N 83 114.004 114.004 114.626 -0.622 19178 2810 1 7 . 1 1 83 83 SER HA H 83 4.164 4.164 4.269 -0.105 19178 2811 1 7 . 1 1 83 83 SER C C 83 174.387 174.387 176.098 -1.711 19178 2812 1 7 . 1 1 83 83 SER CA C 83 61.038 61.038 60.654 0.384 19178 2813 1 7 . 1 1 83 83 SER CB C 83 63.152 63.152 63.615 -0.463 19178 2814 1 7 . 1 1 83 83 SER H H 83 7.573 7.573 8.120 -0.547 19178 2815 1 7 . 1 1 84 84 TYR N N 84 117.323 117.323 118.774 -1.451 19178 2816 1 7 . 1 1 84 84 TYR HA H 84 4.595 4.595 4.711 -0.116 19178 2817 1 7 . 1 1 84 84 TYR C C 84 174.434 174.434 175.398 -0.964 19178 2818 1 7 . 1 1 84 84 TYR CA C 84 58.871 58.871 57.235 1.636 19178 2819 1 7 . 1 1 84 84 TYR CB C 84 41.746 41.746 38.606 3.140 19178 2820 1 7 . 1 1 84 84 TYR H H 84 7.319 7.319 8.469 -1.150 19178 2821 1 7 . 1 1 85 85 CYS N N 85 118.762 118.762 120.589 -1.827 19178 2822 1 7 . 1 1 85 85 CYS HA H 85 3.940 3.940 4.024 -0.084 19178 2823 1 7 . 1 1 85 85 CYS C C 85 176.178 176.178 175.712 0.466 19178 2824 1 7 . 1 1 85 85 CYS CA C 85 58.817 58.817 62.002 -3.184 19178 2825 1 7 . 1 1 85 85 CYS CB C 85 26.042 26.042 27.743 -1.701 19178 2826 1 7 . 1 1 85 85 CYS H H 85 7.670 7.670 7.853 -0.183 19178 2827 1 7 . 1 1 86 86 GLY N N 86 113.730 113.730 116.143 -2.413 19178 2828 1 7 . 1 1 86 86 GLY C C 86 174.587 174.587 173.995 0.592 19178 2829 1 7 . 1 1 86 86 GLY CA C 86 45.214 45.214 44.976 0.238 19178 2830 1 7 . 1 1 86 86 GLY H H 86 10.799 10.799 8.592 2.207 19178 2831 1 7 . 1 1 87 87 ILE N N 87 122.743 122.743 122.814 -0.071 19178 2832 1 7 . 1 1 87 87 ILE HA H 87 4.291 4.291 4.401 -0.110 19178 2833 1 7 . 1 1 87 87 ILE C C 87 174.340 174.340 174.474 -0.134 19178 2834 1 7 . 1 1 87 87 ILE CA C 87 60.968 60.968 60.356 0.612 19178 2835 1 7 . 1 1 87 87 ILE CB C 87 35.512 35.512 37.842 -2.330 19178 2836 1 7 . 1 1 87 87 ILE H H 87 8.023 8.023 8.241 -0.218 19178 2837 1 7 . 1 1 88 88 ASP N N 88 125.059 125.059 125.392 -0.333 19178 2838 1 7 . 1 1 88 88 ASP HA H 88 4.750 4.750 4.893 -0.143 19178 2839 1 7 . 1 1 88 88 ASP C C 88 175.895 175.895 175.159 0.736 19178 2840 1 7 . 1 1 88 88 ASP CA C 88 54.319 54.319 54.199 0.120 19178 2841 1 7 . 1 1 88 88 ASP CB C 88 41.692 41.692 42.988 -1.296 19178 2842 1 7 . 1 1 88 88 ASP H H 88 8.127 8.127 8.822 -0.695 19178 2843 1 7 . 1 1 89 89 ASP N N 89 117.971 117.971 115.746 2.225 19178 2844 1 7 . 1 1 89 89 ASP HA H 89 4.822 4.822 4.666 0.156 19178 2845 1 7 . 1 1 89 89 ASP C C 89 174.069 174.069 175.315 -1.246 19178 2846 1 7 . 1 1 89 89 ASP CA C 89 52.369 52.369 52.877 -0.508 19178 2847 1 7 . 1 1 89 89 ASP CB C 89 43.625 43.625 42.858 0.766 19178 2848 1 7 . 1 1 89 89 ASP H H 89 7.617 7.617 7.547 0.070 19178 2849 1 7 . 1 1 90 90 CYS N N 90 126.238 126.238 119.806 6.432 19178 2850 1 7 . 1 1 90 90 CYS C C 90 175.636 175.636 175.546 0.090 19178 2851 1 7 . 1 1 90 90 CYS CA C 90 56.215 56.215 56.005 0.210 19178 2852 1 7 . 1 1 90 90 CYS H H 90 8.936 8.936 8.666 0.270 19178 2853 1 7 . 1 1 91 91 PRO HA H 91 4.460 4.460 4.356 0.104 19178 2854 1 7 . 1 1 91 91 PRO C C 91 178.629 178.629 178.175 0.454 19178 2855 1 7 . 1 1 91 91 PRO CA C 91 64.614 64.614 64.983 -0.369 19178 2856 1 7 . 1 1 91 91 PRO CB C 91 32.208 32.208 32.160 0.048 19178 2857 1 7 . 1 1 92 92 GLN N N 92 119.363 119.363 118.347 1.016 19178 2858 1 7 . 1 1 92 92 GLN HA H 92 4.060 4.060 4.229 -0.169 19178 2859 1 7 . 1 1 92 92 GLN C C 92 178.181 178.181 178.114 0.067 19178 2860 1 7 . 1 1 92 92 GLN CA C 92 57.837 57.837 59.492 -1.655 19178 2861 1 7 . 1 1 92 92 GLN CB C 92 28.252 28.252 28.192 0.061 19178 2862 1 7 . 1 1 92 92 GLN H H 92 8.253 8.253 8.914 -0.661 19178 2863 1 7 . 1 1 93 93 CYS N N 93 124.725 124.725 114.194 10.531 19178 2864 1 7 . 1 1 93 93 CYS HA H 93 4.269 4.269 4.653 -0.384 19178 2865 1 7 . 1 1 93 93 CYS C C 93 177.180 177.180 176.376 0.804 19178 2866 1 7 . 1 1 93 93 CYS CA C 93 64.366 64.366 59.441 4.925 19178 2867 1 7 . 1 1 93 93 CYS CB C 93 30.379 30.379 26.177 4.202 19178 2868 1 7 . 1 1 93 93 CYS H H 93 8.581 8.581 8.326 0.255 19178 2869 1 7 . 1 1 94 94 SER N N 94 113.467 113.467 116.295 -2.828 19178 2870 1 7 . 1 1 94 94 SER HA H 94 4.277 4.277 4.346 -0.069 19178 2871 1 7 . 1 1 94 94 SER C C 94 174.481 174.481 176.147 -1.666 19178 2872 1 7 . 1 1 94 94 SER CA C 94 59.432 59.432 61.100 -1.668 19178 2873 1 7 . 1 1 94 94 SER CB C 94 63.217 63.217 63.302 -0.085 19178 2874 1 7 . 1 1 94 94 SER H H 94 7.753 7.753 8.269 -0.516 19178 2875 1 7 . 1 1 95 95 LYS N N 95 121.369 121.369 120.948 0.421 19178 2876 1 7 . 1 1 95 95 LYS HA H 95 4.211 4.211 4.201 0.010 19178 2877 1 7 . 1 1 95 95 LYS C C 95 176.237 176.237 176.615 -0.378 19178 2878 1 7 . 1 1 95 95 LYS CA C 95 56.622 56.622 56.525 0.097 19178 2879 1 7 . 1 1 95 95 LYS CB C 95 32.756 32.756 33.035 -0.279 19178 2880 1 7 . 1 1 95 95 LYS H H 95 7.520 7.520 7.482 0.038 19178 2881 1 7 . 1 1 96 96 TYR N N 96 121.000 121.000 121.428 -0.428 19178 2882 1 7 . 1 1 96 96 TYR HA H 96 4.559 4.559 4.351 0.208 19178 2883 1 7 . 1 1 96 96 TYR C C 96 175.577 175.577 174.559 1.018 19178 2884 1 7 . 1 1 96 96 TYR CA C 96 58.039 58.039 59.636 -1.597 19178 2885 1 7 . 1 1 96 96 TYR CB C 96 38.694 38.694 37.976 0.718 19178 2886 1 7 . 1 1 96 96 TYR H H 96 8.005 8.005 7.698 0.307 19178 2887 1 7 . 1 1 97 97 ILE N N 97 123.003 123.003 126.807 -3.804 19178 2888 1 7 . 1 1 97 97 ILE HA H 97 4.120 4.120 4.259 -0.139 19178 2889 1 7 . 1 1 97 97 ILE C C 97 175.194 175.194 174.237 0.957 19178 2890 1 7 . 1 1 97 97 ILE CA C 97 60.929 60.929 59.984 0.945 19178 2891 1 7 . 1 1 97 97 ILE CB C 97 39.044 39.044 41.879 -2.835 19178 2892 1 7 . 1 1 97 97 ILE H H 97 7.832 7.832 7.665 0.167 19178 2893 1 7 . 1 1 98 98 ASP N N 98 125.070 125.070 127.331 -2.261 19178 2894 1 7 . 1 1 98 98 ASP HA H 98 4.627 4.627 4.675 -0.048 19178 2895 1 7 . 1 1 98 98 ASP C C 98 174.976 174.976 175.339 -0.363 19178 2896 1 7 . 1 1 98 98 ASP CA C 98 54.184 54.184 53.923 0.261 19178 2897 1 7 . 1 1 98 98 ASP CB C 98 41.502 41.502 41.025 0.477 19178 2898 1 7 . 1 1 98 98 ASP H H 98 8.245 8.245 8.339 -0.094 19178 2899 1 8 . 1 1 16 16 GLN HA H 16 4.330 4.330 4.089 0.241 19178 2900 1 8 . 1 1 17 17 GLU N N 17 119.126 119.126 120.646 -1.520 19178 2901 1 8 . 1 1 17 17 GLU HA H 17 4.329 4.329 4.206 0.123 19178 2902 1 8 . 1 1 17 17 GLU H H 17 8.422 8.422 8.556 -0.134 19178 2903 1 8 . 1 1 18 18 GLN N N 18 120.450 120.450 118.741 1.709 19178 2904 1 8 . 1 1 18 18 GLN HA H 18 4.081 4.081 4.189 -0.108 19178 2905 1 8 . 1 1 18 18 GLN H H 18 8.729 8.729 8.751 -0.021 19178 2906 1 8 . 1 1 19 19 TRP N N 19 121.902 121.902 120.700 1.202 19178 2907 1 8 . 1 1 19 19 TRP HA H 19 4.125 4.125 4.348 -0.223 19178 2908 1 8 . 1 1 19 19 TRP C C 19 179.400 179.400 177.097 2.303 19178 2909 1 8 . 1 1 19 19 TRP CA C 19 62.361 62.361 61.083 1.278 19178 2910 1 8 . 1 1 19 19 TRP CB C 19 29.938 29.938 29.325 0.613 19178 2911 1 8 . 1 1 19 19 TRP H H 19 8.561 8.561 8.112 0.449 19178 2912 1 8 . 1 1 20 20 ALA N N 20 122.759 122.759 121.081 1.678 19178 2913 1 8 . 1 1 20 20 ALA HA H 20 3.815 3.815 3.827 -0.012 19178 2914 1 8 . 1 1 20 20 ALA C C 20 180.433 180.433 179.226 1.207 19178 2915 1 8 . 1 1 20 20 ALA CA C 20 55.619 55.619 54.649 0.970 19178 2916 1 8 . 1 1 20 20 ALA CB C 20 18.474 18.474 18.056 0.418 19178 2917 1 8 . 1 1 20 20 ALA H H 20 8.828 8.828 7.724 1.104 19178 2918 1 8 . 1 1 21 21 MET N N 21 117.474 117.474 117.985 -0.511 19178 2919 1 8 . 1 1 21 21 MET HA H 21 4.479 4.479 4.017 0.462 19178 2920 1 8 . 1 1 21 21 MET C C 21 178.744 178.744 178.318 0.426 19178 2921 1 8 . 1 1 21 21 MET CA C 21 56.778 56.778 58.296 -1.518 19178 2922 1 8 . 1 1 21 21 MET CB C 21 29.956 29.956 31.872 -1.916 19178 2923 1 8 . 1 1 21 21 MET H H 21 8.702 8.702 7.843 0.859 19178 2924 1 8 . 1 1 22 22 GLN N N 22 119.738 119.738 120.011 -0.273 19178 2925 1 8 . 1 1 22 22 GLN HA H 22 4.025 4.025 3.841 0.183 19178 2926 1 8 . 1 1 22 22 GLN C C 22 180.104 180.104 178.488 1.616 19178 2927 1 8 . 1 1 22 22 GLN CA C 22 58.872 58.872 59.757 -0.885 19178 2928 1 8 . 1 1 22 22 GLN CB C 22 27.880 27.880 28.066 -0.186 19178 2929 1 8 . 1 1 22 22 GLN H H 22 8.531 8.531 7.652 0.879 19178 2930 1 8 . 1 1 23 23 THR N N 23 117.049 117.049 116.155 0.894 19178 2931 1 8 . 1 1 23 23 THR HA H 23 3.715 3.715 3.901 -0.186 19178 2932 1 8 . 1 1 23 23 THR C C 23 177.477 177.477 176.519 0.958 19178 2933 1 8 . 1 1 23 23 THR CA C 23 66.380 66.380 65.645 0.735 19178 2934 1 8 . 1 1 23 23 THR CB C 23 67.579 67.579 68.481 -0.902 19178 2935 1 8 . 1 1 23 23 THR H H 23 7.752 7.752 7.664 0.088 19178 2936 1 8 . 1 1 24 24 LEU N N 24 125.735 125.735 122.321 3.414 19178 2937 1 8 . 1 1 24 24 LEU HA H 24 3.731 3.731 3.882 -0.151 19178 2938 1 8 . 1 1 24 24 LEU C C 24 178.544 178.544 179.289 -0.745 19178 2939 1 8 . 1 1 24 24 LEU CA C 24 58.882 58.882 58.233 0.649 19178 2940 1 8 . 1 1 24 24 LEU CB C 24 41.550 41.550 41.924 -0.374 19178 2941 1 8 . 1 1 24 24 LEU H H 24 7.886 7.886 7.521 0.365 19178 2942 1 8 . 1 1 25 25 MET N N 25 118.622 118.622 117.369 1.253 19178 2943 1 8 . 1 1 25 25 MET HA H 25 4.717 4.717 4.438 0.279 19178 2944 1 8 . 1 1 25 25 MET C C 25 181.465 181.465 178.214 3.251 19178 2945 1 8 . 1 1 25 25 MET CA C 25 55.604 55.604 58.326 -2.722 19178 2946 1 8 . 1 1 25 25 MET CB C 25 32.071 32.071 32.791 -0.720 19178 2947 1 8 . 1 1 25 25 MET H H 25 8.619 8.619 8.521 0.098 19178 2948 1 8 . 1 1 26 26 GLY N N 26 110.755 110.755 107.789 2.966 19178 2949 1 8 . 1 1 26 26 GLY C C 26 174.662 174.662 175.632 -0.970 19178 2950 1 8 . 1 1 26 26 GLY CA C 26 46.788 46.788 46.225 0.563 19178 2951 1 8 . 1 1 26 26 GLY H H 26 8.953 8.953 8.081 0.872 19178 2952 1 8 . 1 1 27 27 SER N N 27 109.977 109.977 114.969 -4.992 19178 2953 1 8 . 1 1 27 27 SER HA H 27 4.422 4.422 4.223 0.199 19178 2954 1 8 . 1 1 27 27 SER C C 27 175.612 175.612 175.702 -0.090 19178 2955 1 8 . 1 1 27 27 SER CA C 27 58.309 58.309 58.898 -0.589 19178 2956 1 8 . 1 1 27 27 SER CB C 27 64.423 64.423 63.477 0.946 19178 2957 1 8 . 1 1 27 27 SER H H 27 7.335 7.335 7.653 -0.318 19178 2958 1 8 . 1 1 28 28 GLY N N 28 110.105 110.105 109.283 0.822 19178 2959 1 8 . 1 1 28 28 GLY C C 28 174.029 174.029 174.732 -0.703 19178 2960 1 8 . 1 1 28 28 GLY CA C 28 45.371 45.371 45.423 -0.053 19178 2961 1 8 . 1 1 28 28 GLY H H 28 7.536 7.536 7.772 -0.236 19178 2962 1 8 . 1 1 29 29 VAL N N 29 121.444 121.444 118.965 2.479 19178 2963 1 8 . 1 1 29 29 VAL HA H 29 4.720 4.720 3.819 0.901 19178 2964 1 8 . 1 1 29 29 VAL C C 29 177.149 177.149 175.941 1.208 19178 2965 1 8 . 1 1 29 29 VAL CA C 29 66.474 66.474 64.631 1.843 19178 2966 1 8 . 1 1 29 29 VAL CB C 29 32.694 32.694 32.675 0.019 19178 2967 1 8 . 1 1 29 29 VAL H H 29 7.738 7.738 7.665 0.073 19178 2968 1 8 . 1 1 30 30 LEU N N 30 115.594 115.594 117.046 -1.452 19178 2969 1 8 . 1 1 30 30 LEU HA H 30 5.349 5.349 4.555 0.794 19178 2970 1 8 . 1 1 30 30 LEU C C 30 174.427 174.427 174.830 -0.403 19178 2971 1 8 . 1 1 30 30 LEU CA C 30 52.231 52.231 53.615 -1.384 19178 2972 1 8 . 1 1 30 30 LEU CB C 30 43.525 43.525 44.854 -1.329 19178 2973 1 8 . 1 1 30 30 LEU H H 30 7.090 7.090 7.287 -0.197 19178 2974 1 8 . 1 1 31 31 ALA N N 31 122.020 122.020 121.281 0.739 19178 2975 1 8 . 1 1 31 31 ALA HA H 31 4.539 4.539 4.679 -0.140 19178 2976 1 8 . 1 1 31 31 ALA C C 31 175.130 175.130 175.751 -0.621 19178 2977 1 8 . 1 1 31 31 ALA CA C 31 50.963 50.963 51.053 -0.090 19178 2978 1 8 . 1 1 31 31 ALA CB C 31 22.314 22.314 20.982 1.332 19178 2979 1 8 . 1 1 31 31 ALA H H 31 8.981 8.981 8.532 0.449 19178 2980 1 8 . 1 1 32 32 ARG N N 32 118.606 118.606 121.956 -3.350 19178 2981 1 8 . 1 1 32 32 ARG HA H 32 5.342 5.342 4.684 0.658 19178 2982 1 8 . 1 1 32 32 ARG C C 32 178.051 178.051 175.073 2.978 19178 2983 1 8 . 1 1 32 32 ARG CA C 32 54.543 54.543 54.861 -0.318 19178 2984 1 8 . 1 1 32 32 ARG CB C 32 31.485 31.485 33.921 -2.436 19178 2985 1 8 . 1 1 32 32 ARG H H 32 8.223 8.223 8.389 -0.166 19178 2986 1 8 . 1 1 33 33 CYS N N 33 125.750 125.750 120.602 5.148 19178 2987 1 8 . 1 1 33 33 CYS HA H 33 4.117 4.117 4.510 -0.393 19178 2988 1 8 . 1 1 33 33 CYS C C 33 175.978 175.978 176.190 -0.212 19178 2989 1 8 . 1 1 33 33 CYS CA C 33 60.620 60.620 58.535 2.085 19178 2990 1 8 . 1 1 33 33 CYS CB C 33 27.213 27.213 29.101 -1.888 19178 2991 1 8 . 1 1 33 33 CYS H H 33 8.314 8.314 8.593 -0.279 19178 2992 1 8 . 1 1 34 34 ARG N N 34 128.053 128.053 125.947 2.106 19178 2993 1 8 . 1 1 34 34 ARG HA H 34 3.926 3.926 4.194 -0.268 19178 2994 1 8 . 1 1 34 34 ARG C C 34 176.565 176.565 175.615 0.950 19178 2995 1 8 . 1 1 34 34 ARG CA C 34 58.719 58.719 57.975 0.744 19178 2996 1 8 . 1 1 34 34 ARG CB C 34 30.159 30.159 29.397 0.762 19178 2997 1 8 . 1 1 34 34 ARG H H 34 8.578 8.578 8.960 -0.382 19178 2998 1 8 . 1 1 35 35 ILE N N 35 122.502 122.502 116.635 5.867 19178 2999 1 8 . 1 1 35 35 ILE HA H 35 3.843 3.843 4.160 -0.318 19178 3000 1 8 . 1 1 35 35 ILE C C 35 176.028 176.028 175.174 0.854 19178 3001 1 8 . 1 1 35 35 ILE CA C 35 62.035 62.035 61.561 0.474 19178 3002 1 8 . 1 1 35 35 ILE CB C 35 39.125 39.125 38.145 0.980 19178 3003 1 8 . 1 1 35 35 ILE H H 35 8.932 8.932 7.470 1.462 19178 3004 1 8 . 1 1 36 36 HIS N N 36 121.974 121.974 113.284 8.690 19178 3005 1 8 . 1 1 36 36 HIS HA H 36 4.569 4.569 4.866 -0.297 19178 3006 1 8 . 1 1 36 36 HIS CB C 36 31.187 31.187 30.312 0.875 19178 3007 1 8 . 1 1 36 36 HIS H H 36 8.078 8.078 7.060 1.018 19178 3008 1 8 . 1 1 37 37 ASN N N 37 119.433 119.433 120.260 -0.827 19178 3009 1 8 . 1 1 37 37 ASN HA H 37 4.399 4.399 4.582 -0.183 19178 3010 1 8 . 1 1 37 37 ASN C C 37 173.906 173.906 175.046 -1.140 19178 3011 1 8 . 1 1 37 37 ASN CA C 37 56.407 56.407 53.733 2.674 19178 3012 1 8 . 1 1 37 37 ASN CB C 37 39.331 39.331 39.164 0.167 19178 3013 1 8 . 1 1 37 37 ASN H H 37 8.386 8.386 8.421 -0.035 19178 3014 1 8 . 1 1 38 38 ASP N N 38 112.673 112.673 116.815 -4.142 19178 3015 1 8 . 1 1 38 38 ASP HA H 38 4.385 4.385 4.618 -0.233 19178 3016 1 8 . 1 1 38 38 ASP C C 38 175.841 175.841 175.685 0.156 19178 3017 1 8 . 1 1 38 38 ASP CA C 38 53.983 53.983 53.752 0.231 19178 3018 1 8 . 1 1 38 38 ASP CB C 38 40.263 40.263 40.266 -0.003 19178 3019 1 8 . 1 1 38 38 ASP H H 38 8.880 8.880 8.274 0.606 19178 3020 1 8 . 1 1 39 39 VAL N N 39 124.385 124.385 119.507 4.878 19178 3021 1 8 . 1 1 39 39 VAL HA H 39 3.944 3.944 4.047 -0.103 19178 3022 1 8 . 1 1 39 39 VAL C C 39 173.731 173.731 174.386 -0.655 19178 3023 1 8 . 1 1 39 39 VAL CA C 39 63.514 63.514 60.679 2.835 19178 3024 1 8 . 1 1 39 39 VAL CB C 39 32.408 32.408 34.854 -2.446 19178 3025 1 8 . 1 1 39 39 VAL H H 39 8.253 8.253 7.282 0.971 19178 3026 1 8 . 1 1 40 40 ILE N N 40 128.130 128.130 124.982 3.148 19178 3027 1 8 . 1 1 40 40 ILE HA H 40 4.222 4.222 4.135 0.087 19178 3028 1 8 . 1 1 40 40 ILE C C 40 174.090 174.090 173.686 0.404 19178 3029 1 8 . 1 1 40 40 ILE CA C 40 60.635 60.635 59.528 1.107 19178 3030 1 8 . 1 1 40 40 ILE CB C 40 38.281 38.281 39.477 -1.196 19178 3031 1 8 . 1 1 40 40 ILE H H 40 7.836 7.836 7.742 0.094 19178 3032 1 8 . 1 1 41 41 LEU N N 41 124.924 124.924 129.229 -4.305 19178 3033 1 8 . 1 1 41 41 LEU HA H 41 4.884 4.884 4.773 0.111 19178 3034 1 8 . 1 1 41 41 LEU C C 41 175.989 175.989 175.048 0.941 19178 3035 1 8 . 1 1 41 41 LEU CA C 41 52.654 52.654 53.476 -0.822 19178 3036 1 8 . 1 1 41 41 LEU CB C 41 45.122 45.122 45.846 -0.724 19178 3037 1 8 . 1 1 41 41 LEU H H 41 8.836 8.836 8.811 0.025 19178 3038 1 8 . 1 1 42 42 ASP N N 42 119.247 119.247 122.542 -3.295 19178 3039 1 8 . 1 1 42 42 ASP HA H 42 4.858 4.858 4.375 0.483 19178 3040 1 8 . 1 1 42 42 ASP C C 42 176.128 176.128 176.071 0.057 19178 3041 1 8 . 1 1 42 42 ASP CA C 42 53.328 53.328 54.491 -1.163 19178 3042 1 8 . 1 1 42 42 ASP CB C 42 41.408 41.408 42.243 -0.835 19178 3043 1 8 . 1 1 42 42 ASP H H 42 8.725 8.725 8.606 0.119 19178 3044 1 8 . 1 1 43 43 SER N N 43 123.344 123.344 122.595 0.749 19178 3045 1 8 . 1 1 43 43 SER HA H 43 4.178 4.178 4.489 -0.311 19178 3046 1 8 . 1 1 43 43 SER C C 43 176.291 176.291 175.424 0.867 19178 3047 1 8 . 1 1 43 43 SER CA C 43 60.431 60.431 59.740 0.691 19178 3048 1 8 . 1 1 43 43 SER CB C 43 64.943 64.943 63.895 1.048 19178 3049 1 8 . 1 1 43 43 SER H H 43 8.462 8.462 8.831 -0.369 19178 3050 1 8 . 1 1 44 44 GLY N N 44 112.184 112.184 110.071 2.113 19178 3051 1 8 . 1 1 44 44 GLY C C 44 174.525 174.525 173.907 0.618 19178 3052 1 8 . 1 1 44 44 GLY CA C 44 45.368 45.368 45.037 0.331 19178 3053 1 8 . 1 1 44 44 GLY H H 44 9.230 9.230 8.634 0.596 19178 3054 1 8 . 1 1 45 45 ASN N N 45 119.774 119.774 117.953 1.821 19178 3055 1 8 . 1 1 45 45 ASN HA H 45 4.681 4.681 4.864 -0.183 19178 3056 1 8 . 1 1 45 45 ASN C C 45 174.866 174.866 174.256 0.610 19178 3057 1 8 . 1 1 45 45 ASN CA C 45 52.807 52.807 52.329 0.478 19178 3058 1 8 . 1 1 45 45 ASN CB C 45 39.241 39.241 41.049 -1.808 19178 3059 1 8 . 1 1 45 45 ASN H H 45 8.486 8.486 8.077 0.409 19178 3060 1 8 . 1 1 46 46 ASP N N 46 120.223 120.223 120.456 -0.233 19178 3061 1 8 . 1 1 46 46 ASP HA H 46 4.367 4.367 4.450 -0.083 19178 3062 1 8 . 1 1 46 46 ASP C C 46 177.272 177.272 176.113 1.159 19178 3063 1 8 . 1 1 46 46 ASP CA C 46 54.869 54.869 54.828 0.041 19178 3064 1 8 . 1 1 46 46 ASP CB C 46 42.461 42.461 40.270 2.191 19178 3065 1 8 . 1 1 46 46 ASP H H 46 8.387 8.387 8.617 -0.230 19178 3066 1 8 . 1 1 47 47 ALA N N 47 126.587 126.587 129.586 -2.999 19178 3067 1 8 . 1 1 47 47 ALA HA H 47 3.741 3.741 4.086 -0.345 19178 3068 1 8 . 1 1 47 47 ALA C C 47 177.980 177.980 178.439 -0.459 19178 3069 1 8 . 1 1 47 47 ALA CA C 47 53.866 53.866 53.671 0.195 19178 3070 1 8 . 1 1 47 47 ALA CB C 47 16.554 16.554 18.493 -1.939 19178 3071 1 8 . 1 1 47 47 ALA H H 47 8.747 8.747 8.366 0.381 19178 3072 1 8 . 1 1 48 48 SER N N 48 115.463 115.463 114.233 1.230 19178 3073 1 8 . 1 1 48 48 SER HA H 48 4.203 4.203 3.886 0.317 19178 3074 1 8 . 1 1 48 48 SER CA C 48 61.994 61.994 61.404 0.590 19178 3075 1 8 . 1 1 48 48 SER H H 48 8.973 8.973 8.157 0.816 19178 3076 1 8 . 1 1 49 49 SER C C 49 176.587 176.587 176.026 0.561 19178 3077 1 8 . 1 1 49 49 SER CA C 49 62.279 62.279 61.650 0.629 19178 3078 1 8 . 1 1 50 50 ALA N N 50 125.775 125.775 123.819 1.956 19178 3079 1 8 . 1 1 50 50 ALA HA H 50 4.076 4.076 4.473 -0.397 19178 3080 1 8 . 1 1 50 50 ALA C C 50 179.125 179.125 180.460 -1.335 19178 3081 1 8 . 1 1 50 50 ALA CA C 50 54.822 54.822 54.487 0.335 19178 3082 1 8 . 1 1 50 50 ALA CB C 50 18.834 18.834 18.246 0.588 19178 3083 1 8 . 1 1 50 50 ALA H H 50 7.620 7.620 7.562 0.058 19178 3084 1 8 . 1 1 51 51 TYR N N 51 117.562 117.562 118.912 -1.350 19178 3085 1 8 . 1 1 51 51 TYR HA H 51 4.275 4.275 4.227 0.048 19178 3086 1 8 . 1 1 51 51 TYR C C 51 179.622 179.622 178.342 1.280 19178 3087 1 8 . 1 1 51 51 TYR CA C 51 60.966 60.966 60.429 0.537 19178 3088 1 8 . 1 1 51 51 TYR CB C 51 36.803 36.803 37.853 -1.050 19178 3089 1 8 . 1 1 51 51 TYR H H 51 7.397 7.397 8.898 -1.501 19178 3090 1 8 . 1 1 52 52 LYS N N 52 121.441 121.441 120.712 0.729 19178 3091 1 8 . 1 1 52 52 LYS HA H 52 4.103 4.103 4.056 0.047 19178 3092 1 8 . 1 1 52 52 LYS C C 52 179.041 179.041 179.176 -0.135 19178 3093 1 8 . 1 1 52 52 LYS CA C 52 59.827 59.827 59.584 0.243 19178 3094 1 8 . 1 1 52 52 LYS H H 52 8.332 8.332 8.258 0.074 19178 3095 1 8 . 1 1 53 53 LEU N N 53 122.286 122.286 119.711 2.575 19178 3096 1 8 . 1 1 53 53 LEU HA H 53 4.376 4.376 4.415 -0.039 19178 3097 1 8 . 1 1 53 53 LEU C C 53 178.373 178.373 179.040 -0.667 19178 3098 1 8 . 1 1 53 53 LEU CA C 53 57.863 57.863 57.611 0.252 19178 3099 1 8 . 1 1 53 53 LEU CB C 53 41.288 41.288 41.235 0.053 19178 3100 1 8 . 1 1 53 53 LEU H H 53 7.671 7.671 8.708 -1.037 19178 3101 1 8 . 1 1 54 54 GLY N N 54 127.824 127.824 107.307 20.517 19178 3102 1 8 . 1 1 54 54 GLY C C 54 174.865 174.865 176.000 -1.135 19178 3103 1 8 . 1 1 54 54 GLY CA C 54 47.971 47.971 47.340 0.631 19178 3104 1 8 . 1 1 54 54 GLY H H 54 9.020 9.020 8.604 0.416 19178 3105 1 8 . 1 1 55 55 THR N N 55 117.961 117.961 118.247 -0.286 19178 3106 1 8 . 1 1 55 55 THR HA H 55 4.445 4.445 4.183 0.262 19178 3107 1 8 . 1 1 55 55 THR C C 55 175.188 175.188 176.586 -1.398 19178 3108 1 8 . 1 1 55 55 THR CA C 55 67.593 67.593 66.376 1.216 19178 3109 1 8 . 1 1 55 55 THR H H 55 8.123 8.123 7.996 0.127 19178 3110 1 8 . 1 1 56 56 TYR N N 56 122.294 122.294 120.850 1.444 19178 3111 1 8 . 1 1 56 56 TYR HA H 56 4.346 4.346 4.635 -0.289 19178 3112 1 8 . 1 1 56 56 TYR C C 56 177.909 177.909 178.145 -0.236 19178 3113 1 8 . 1 1 56 56 TYR CA C 56 61.147 61.147 60.392 0.755 19178 3114 1 8 . 1 1 56 56 TYR CB C 56 37.981 37.981 38.126 -0.145 19178 3115 1 8 . 1 1 56 56 TYR H H 56 7.697 7.697 8.162 -0.465 19178 3116 1 8 . 1 1 57 57 LEU N N 57 118.703 118.703 119.088 -0.385 19178 3117 1 8 . 1 1 57 57 LEU HA H 57 3.914 3.914 4.114 -0.200 19178 3118 1 8 . 1 1 57 57 LEU C C 57 180.087 180.087 178.181 1.906 19178 3119 1 8 . 1 1 57 57 LEU CA C 57 57.780 57.780 56.870 0.910 19178 3120 1 8 . 1 1 57 57 LEU CB C 57 42.026 42.026 42.327 -0.301 19178 3121 1 8 . 1 1 57 57 LEU H H 57 8.909 8.909 7.733 1.176 19178 3122 1 8 . 1 1 58 58 TYR N N 58 120.667 120.667 116.403 4.264 19178 3123 1 8 . 1 1 58 58 TYR HA H 58 4.209 4.209 4.452 -0.243 19178 3124 1 8 . 1 1 58 58 TYR C C 58 177.511 177.511 176.396 1.115 19178 3125 1 8 . 1 1 58 58 TYR CA C 58 61.641 61.641 59.665 1.976 19178 3126 1 8 . 1 1 58 58 TYR H H 58 8.971 8.971 8.052 0.919 19178 3127 1 8 . 1 1 59 59 GLN N N 59 119.344 119.344 117.659 1.685 19178 3128 1 8 . 1 1 59 59 GLN HA H 59 4.668 4.668 4.715 -0.047 19178 3129 1 8 . 1 1 59 59 GLN C C 59 179.270 179.270 174.755 4.515 19178 3130 1 8 . 1 1 59 59 GLN H H 59 8.378 8.378 8.131 0.247 19178 3131 1 8 . 1 1 67 67 PHE HA H 67 4.852 4.852 4.125 0.727 19178 3132 1 8 . 1 1 67 67 PHE C C 67 175.889 175.889 176.221 -0.332 19178 3133 1 8 . 1 1 67 67 PHE CA C 67 55.576 55.576 59.296 -3.720 19178 3134 1 8 . 1 1 67 67 PHE CB C 67 42.444 42.444 38.280 4.164 19178 3135 1 8 . 1 1 68 68 ASN N N 68 120.775 120.775 118.296 2.479 19178 3136 1 8 . 1 1 68 68 ASN C C 68 175.338 175.338 175.152 0.186 19178 3137 1 8 . 1 1 68 68 ASN CA C 68 55.092 55.092 53.642 1.450 19178 3138 1 8 . 1 1 68 68 ASN CB C 68 40.006 40.006 38.622 1.384 19178 3139 1 8 . 1 1 68 68 ASN H H 68 9.560 9.560 8.133 1.427 19178 3140 1 8 . 1 1 69 69 THR N N 69 127.914 127.914 117.671 10.243 19178 3141 1 8 . 1 1 69 69 THR HA H 69 4.732 4.732 4.466 0.266 19178 3142 1 8 . 1 1 69 69 THR C C 69 173.530 173.530 175.549 -2.019 19178 3143 1 8 . 1 1 69 69 THR CA C 69 58.877 58.877 62.075 -3.198 19178 3144 1 8 . 1 1 69 69 THR CB C 69 73.620 73.620 69.650 3.970 19178 3145 1 8 . 1 1 69 69 THR H H 69 7.237 7.237 8.181 -0.944 19178 3146 1 8 . 1 1 70 70 LEU N N 70 122.013 122.013 130.008 -7.995 19178 3147 1 8 . 1 1 70 70 LEU HA H 70 3.005 3.005 4.292 -1.287 19178 3148 1 8 . 1 1 70 70 LEU C C 70 178.252 178.252 177.560 0.692 19178 3149 1 8 . 1 1 70 70 LEU CA C 70 56.721 56.721 57.112 -0.391 19178 3150 1 8 . 1 1 70 70 LEU CB C 70 41.199 41.199 41.488 -0.289 19178 3151 1 8 . 1 1 70 70 LEU H H 70 8.614 8.614 8.920 -0.306 19178 3152 1 8 . 1 1 71 71 THR N N 71 114.041 114.041 115.167 -1.126 19178 3153 1 8 . 1 1 71 71 THR HA H 71 3.620 3.620 3.802 -0.182 19178 3154 1 8 . 1 1 71 71 THR C C 71 175.400 175.400 176.461 -1.061 19178 3155 1 8 . 1 1 71 71 THR CA C 71 66.405 66.405 66.906 -0.501 19178 3156 1 8 . 1 1 71 71 THR CB C 71 68.517 68.517 68.215 0.302 19178 3157 1 8 . 1 1 71 71 THR H H 71 7.694 7.694 8.165 -0.471 19178 3158 1 8 . 1 1 72 72 GLU N N 72 120.141 120.141 121.359 -1.218 19178 3159 1 8 . 1 1 72 72 GLU HA H 72 3.997 3.997 3.831 0.166 19178 3160 1 8 . 1 1 72 72 GLU C C 72 178.982 178.982 178.033 0.949 19178 3161 1 8 . 1 1 72 72 GLU CA C 72 59.250 59.250 59.687 -0.437 19178 3162 1 8 . 1 1 72 72 GLU CB C 72 30.907 30.907 29.009 1.898 19178 3163 1 8 . 1 1 72 72 GLU H H 72 7.514 7.514 7.686 -0.172 19178 3164 1 8 . 1 1 73 73 ALA N N 73 123.400 123.400 122.571 0.829 19178 3165 1 8 . 1 1 73 73 ALA HA H 73 2.167 2.167 3.590 -1.423 19178 3166 1 8 . 1 1 73 73 ALA C C 73 178.959 178.959 179.673 -0.714 19178 3167 1 8 . 1 1 73 73 ALA CA C 73 54.323 54.323 54.722 -0.399 19178 3168 1 8 . 1 1 73 73 ALA CB C 73 17.561 17.561 18.296 -0.735 19178 3169 1 8 . 1 1 73 73 ALA H H 73 6.788 6.788 7.349 -0.561 19178 3170 1 8 . 1 1 74 74 ARG N N 74 116.272 116.272 116.876 -0.604 19178 3171 1 8 . 1 1 74 74 ARG HA H 74 3.887 3.887 3.566 0.321 19178 3172 1 8 . 1 1 74 74 ARG C C 74 179.230 179.230 178.444 0.786 19178 3173 1 8 . 1 1 74 74 ARG CA C 74 60.442 60.442 59.380 1.062 19178 3174 1 8 . 1 1 74 74 ARG CB C 74 29.878 29.878 29.793 0.085 19178 3175 1 8 . 1 1 74 74 ARG H H 74 8.145 8.145 8.234 -0.089 19178 3176 1 8 . 1 1 75 75 ASP N N 75 120.487 120.487 118.853 1.634 19178 3177 1 8 . 1 1 75 75 ASP HA H 75 4.446 4.446 4.412 0.034 19178 3178 1 8 . 1 1 75 75 ASP C C 75 178.040 178.040 177.806 0.234 19178 3179 1 8 . 1 1 75 75 ASP CA C 75 57.166 57.166 56.971 0.195 19178 3180 1 8 . 1 1 75 75 ASP CB C 75 39.687 39.687 40.692 -1.005 19178 3181 1 8 . 1 1 75 75 ASP H H 75 8.594 8.594 8.273 0.321 19178 3182 1 8 . 1 1 76 76 ALA N N 76 122.773 122.773 123.150 -0.377 19178 3183 1 8 . 1 1 76 76 ALA HA H 76 4.345 4.345 4.099 0.246 19178 3184 1 8 . 1 1 76 76 ALA C C 76 181.221 181.221 179.746 1.475 19178 3185 1 8 . 1 1 76 76 ALA CA C 76 55.245 55.245 55.277 -0.032 19178 3186 1 8 . 1 1 76 76 ALA CB C 76 18.316 18.316 18.699 -0.383 19178 3187 1 8 . 1 1 76 76 ALA H H 76 7.668 7.668 7.833 -0.165 19178 3188 1 8 . 1 1 77 77 ILE N N 77 120.254 120.254 115.503 4.751 19178 3189 1 8 . 1 1 77 77 ILE HA H 77 3.632 3.632 3.897 -0.265 19178 3190 1 8 . 1 1 77 77 ILE C C 77 176.567 176.567 177.565 -0.998 19178 3191 1 8 . 1 1 77 77 ILE CA C 77 66.365 66.365 64.560 1.805 19178 3192 1 8 . 1 1 77 77 ILE CB C 77 37.947 37.947 37.607 0.340 19178 3193 1 8 . 1 1 77 77 ILE H H 77 7.724 7.724 8.182 -0.458 19178 3194 1 8 . 1 1 78 78 LYS N N 78 122.773 122.773 121.832 0.941 19178 3195 1 8 . 1 1 78 78 LYS HA H 78 4.265 4.265 3.993 0.272 19178 3196 1 8 . 1 1 78 78 LYS C C 78 178.382 178.382 178.616 -0.234 19178 3197 1 8 . 1 1 78 78 LYS CA C 78 60.442 60.442 60.427 0.015 19178 3198 1 8 . 1 1 78 78 LYS CB C 78 33.021 33.021 32.184 0.837 19178 3199 1 8 . 1 1 78 78 LYS H H 78 8.465 8.465 8.447 0.018 19178 3200 1 8 . 1 1 79 79 ASP N N 79 118.165 118.165 119.122 -0.957 19178 3201 1 8 . 1 1 79 79 ASP HA H 79 4.353 4.353 4.486 -0.133 19178 3202 1 8 . 1 1 79 79 ASP C C 79 179.289 179.289 178.446 0.843 19178 3203 1 8 . 1 1 79 79 ASP CA C 79 57.245 57.245 57.206 0.039 19178 3204 1 8 . 1 1 79 79 ASP H H 79 8.541 8.541 8.410 0.131 19178 3205 1 8 . 1 1 80 80 ALA N N 80 122.362 122.362 123.316 -0.954 19178 3206 1 8 . 1 1 80 80 ALA HA H 80 4.340 4.340 4.038 0.302 19178 3207 1 8 . 1 1 80 80 ALA C C 80 179.265 179.265 179.879 -0.614 19178 3208 1 8 . 1 1 80 80 ALA CA C 80 54.979 54.979 55.179 -0.200 19178 3209 1 8 . 1 1 80 80 ALA CB C 80 18.254 18.254 18.362 -0.108 19178 3210 1 8 . 1 1 80 80 ALA H H 80 7.727 7.727 7.979 -0.252 19178 3211 1 8 . 1 1 81 81 TYR N N 81 118.882 118.882 117.099 1.783 19178 3212 1 8 . 1 1 81 81 TYR HA H 81 4.115 4.115 4.308 -0.193 19178 3213 1 8 . 1 1 81 81 TYR C C 81 178.146 178.146 177.797 0.349 19178 3214 1 8 . 1 1 81 81 TYR CA C 81 61.635 61.635 62.964 -1.329 19178 3215 1 8 . 1 1 81 81 TYR CB C 81 38.115 38.115 38.563 -0.448 19178 3216 1 8 . 1 1 81 81 TYR H H 81 9.037 9.037 8.679 0.358 19178 3217 1 8 . 1 1 82 82 GLU N N 82 116.630 116.630 117.425 -0.795 19178 3218 1 8 . 1 1 82 82 GLU HA H 82 3.816 3.816 4.185 -0.369 19178 3219 1 8 . 1 1 82 82 GLU C C 82 178.664 178.664 177.841 0.823 19178 3220 1 8 . 1 1 82 82 GLU CA C 82 59.304 59.304 58.748 0.556 19178 3221 1 8 . 1 1 82 82 GLU CB C 82 28.848 28.848 30.020 -1.172 19178 3222 1 8 . 1 1 82 82 GLU H H 82 8.854 8.854 8.099 0.755 19178 3223 1 8 . 1 1 83 83 SER N N 83 114.004 114.004 114.980 -0.976 19178 3224 1 8 . 1 1 83 83 SER HA H 83 4.164 4.164 4.193 -0.029 19178 3225 1 8 . 1 1 83 83 SER C C 83 174.387 174.387 175.432 -1.045 19178 3226 1 8 . 1 1 83 83 SER CA C 83 61.038 61.038 60.198 0.840 19178 3227 1 8 . 1 1 83 83 SER CB C 83 63.152 63.152 63.734 -0.583 19178 3228 1 8 . 1 1 83 83 SER H H 83 7.573 7.573 7.926 -0.353 19178 3229 1 8 . 1 1 84 84 TYR N N 84 117.323 117.323 118.111 -0.788 19178 3230 1 8 . 1 1 84 84 TYR HA H 84 4.595 4.595 4.590 0.005 19178 3231 1 8 . 1 1 84 84 TYR C C 84 174.434 174.434 175.503 -1.069 19178 3232 1 8 . 1 1 84 84 TYR CA C 84 58.871 58.871 56.879 1.992 19178 3233 1 8 . 1 1 84 84 TYR CB C 84 41.746 41.746 38.417 3.329 19178 3234 1 8 . 1 1 84 84 TYR H H 84 7.319 7.319 8.093 -0.774 19178 3235 1 8 . 1 1 85 85 CYS N N 85 118.762 118.762 119.411 -0.649 19178 3236 1 8 . 1 1 85 85 CYS HA H 85 3.940 3.940 4.144 -0.204 19178 3237 1 8 . 1 1 85 85 CYS C C 85 176.178 176.178 175.557 0.621 19178 3238 1 8 . 1 1 85 85 CYS CA C 85 58.817 58.817 61.161 -2.345 19178 3239 1 8 . 1 1 85 85 CYS CB C 85 26.042 26.042 28.079 -2.037 19178 3240 1 8 . 1 1 85 85 CYS H H 85 7.670 7.670 7.324 0.346 19178 3241 1 8 . 1 1 86 86 GLY N N 86 113.730 113.730 116.781 -3.051 19178 3242 1 8 . 1 1 86 86 GLY C C 86 174.587 174.587 174.067 0.520 19178 3243 1 8 . 1 1 86 86 GLY CA C 86 45.214 45.214 45.043 0.171 19178 3244 1 8 . 1 1 86 86 GLY H H 86 10.799 10.799 8.544 2.255 19178 3245 1 8 . 1 1 87 87 ILE N N 87 122.743 122.743 120.513 2.230 19178 3246 1 8 . 1 1 87 87 ILE HA H 87 4.291 4.291 4.450 -0.159 19178 3247 1 8 . 1 1 87 87 ILE C C 87 174.340 174.340 174.274 0.066 19178 3248 1 8 . 1 1 87 87 ILE CA C 87 60.968 60.968 60.101 0.867 19178 3249 1 8 . 1 1 87 87 ILE CB C 87 35.512 35.512 37.539 -2.027 19178 3250 1 8 . 1 1 87 87 ILE H H 87 8.023 8.023 7.597 0.426 19178 3251 1 8 . 1 1 88 88 ASP N N 88 125.059 125.059 124.928 0.131 19178 3252 1 8 . 1 1 88 88 ASP HA H 88 4.750 4.750 4.882 -0.132 19178 3253 1 8 . 1 1 88 88 ASP C C 88 175.895 175.895 175.904 -0.009 19178 3254 1 8 . 1 1 88 88 ASP CA C 88 54.319 54.319 53.647 0.672 19178 3255 1 8 . 1 1 88 88 ASP CB C 88 41.692 41.692 42.346 -0.654 19178 3256 1 8 . 1 1 88 88 ASP H H 88 8.127 8.127 8.403 -0.276 19178 3257 1 8 . 1 1 89 89 ASP N N 89 117.971 117.971 118.650 -0.679 19178 3258 1 8 . 1 1 89 89 ASP HA H 89 4.822 4.822 4.751 0.071 19178 3259 1 8 . 1 1 89 89 ASP C C 89 174.069 174.069 175.249 -1.180 19178 3260 1 8 . 1 1 89 89 ASP CA C 89 52.369 52.369 53.547 -1.178 19178 3261 1 8 . 1 1 89 89 ASP CB C 89 43.625 43.625 43.506 0.119 19178 3262 1 8 . 1 1 89 89 ASP H H 89 7.617 7.617 8.081 -0.464 19178 3263 1 8 . 1 1 90 90 CYS N N 90 126.238 126.238 121.292 4.946 19178 3264 1 8 . 1 1 90 90 CYS C C 90 175.636 175.636 175.804 -0.168 19178 3265 1 8 . 1 1 90 90 CYS CA C 90 56.215 56.215 55.952 0.263 19178 3266 1 8 . 1 1 90 90 CYS H H 90 8.936 8.936 8.996 -0.060 19178 3267 1 8 . 1 1 91 91 PRO HA H 91 4.460 4.460 4.273 0.187 19178 3268 1 8 . 1 1 91 91 PRO C C 91 178.629 178.629 178.228 0.401 19178 3269 1 8 . 1 1 91 91 PRO CA C 91 64.614 64.614 65.126 -0.512 19178 3270 1 8 . 1 1 91 91 PRO CB C 91 32.208 32.208 32.080 0.128 19178 3271 1 8 . 1 1 92 92 GLN N N 92 119.363 119.363 119.317 0.046 19178 3272 1 8 . 1 1 92 92 GLN HA H 92 4.060 4.060 4.331 -0.271 19178 3273 1 8 . 1 1 92 92 GLN C C 92 178.181 178.181 178.489 -0.308 19178 3274 1 8 . 1 1 92 92 GLN CA C 92 57.837 57.837 58.331 -0.494 19178 3275 1 8 . 1 1 92 92 GLN CB C 92 28.252 28.252 27.521 0.731 19178 3276 1 8 . 1 1 92 92 GLN H H 92 8.253 8.253 8.808 -0.555 19178 3277 1 8 . 1 1 93 93 CYS N N 93 124.725 124.725 118.440 6.285 19178 3278 1 8 . 1 1 93 93 CYS HA H 93 4.269 4.269 4.339 -0.070 19178 3279 1 8 . 1 1 93 93 CYS C C 93 177.180 177.180 177.051 0.129 19178 3280 1 8 . 1 1 93 93 CYS CA C 93 64.366 64.366 61.081 3.285 19178 3281 1 8 . 1 1 93 93 CYS CB C 93 30.379 30.379 26.331 4.048 19178 3282 1 8 . 1 1 93 93 CYS H H 93 8.581 8.581 8.533 0.048 19178 3283 1 8 . 1 1 94 94 SER N N 94 113.467 113.467 114.964 -1.497 19178 3284 1 8 . 1 1 94 94 SER HA H 94 4.277 4.277 4.285 -0.008 19178 3285 1 8 . 1 1 94 94 SER C C 94 174.481 174.481 175.743 -1.262 19178 3286 1 8 . 1 1 94 94 SER CA C 94 59.432 59.432 60.625 -1.193 19178 3287 1 8 . 1 1 94 94 SER CB C 94 63.217 63.217 63.346 -0.129 19178 3288 1 8 . 1 1 94 94 SER H H 94 7.753 7.753 7.928 -0.175 19178 3289 1 8 . 1 1 95 95 LYS N N 95 121.369 121.369 120.805 0.564 19178 3290 1 8 . 1 1 95 95 LYS HA H 95 4.211 4.211 4.117 0.094 19178 3291 1 8 . 1 1 95 95 LYS C C 95 176.237 176.237 177.162 -0.925 19178 3292 1 8 . 1 1 95 95 LYS CA C 95 56.622 56.622 56.829 -0.207 19178 3293 1 8 . 1 1 95 95 LYS CB C 95 32.756 32.756 32.593 0.163 19178 3294 1 8 . 1 1 95 95 LYS H H 95 7.520 7.520 7.733 -0.213 19178 3295 1 8 . 1 1 96 96 TYR N N 96 121.000 121.000 120.845 0.155 19178 3296 1 8 . 1 1 96 96 TYR HA H 96 4.559 4.559 4.398 0.161 19178 3297 1 8 . 1 1 96 96 TYR C C 96 175.577 175.577 175.145 0.432 19178 3298 1 8 . 1 1 96 96 TYR CA C 96 58.039 58.039 58.189 -0.150 19178 3299 1 8 . 1 1 96 96 TYR CB C 96 38.694 38.694 38.224 0.471 19178 3300 1 8 . 1 1 96 96 TYR H H 96 8.005 8.005 7.809 0.196 19178 3301 1 8 . 1 1 97 97 ILE N N 97 123.003 123.003 128.471 -5.468 19178 3302 1 8 . 1 1 97 97 ILE HA H 97 4.120 4.120 3.969 0.151 19178 3303 1 8 . 1 1 97 97 ILE C C 97 175.194 175.194 174.617 0.577 19178 3304 1 8 . 1 1 97 97 ILE CA C 97 60.929 60.929 60.860 0.069 19178 3305 1 8 . 1 1 97 97 ILE CB C 97 39.044 39.044 38.895 0.149 19178 3306 1 8 . 1 1 97 97 ILE H H 97 7.832 7.832 8.008 -0.176 19178 3307 1 8 . 1 1 98 98 ASP N N 98 125.070 125.070 127.693 -2.623 19178 3308 1 8 . 1 1 98 98 ASP HA H 98 4.627 4.627 4.288 0.339 19178 3309 1 8 . 1 1 98 98 ASP C C 98 174.976 174.976 175.488 -0.512 19178 3310 1 8 . 1 1 98 98 ASP CA C 98 54.184 54.184 53.134 1.050 19178 3311 1 8 . 1 1 98 98 ASP CB C 98 41.502 41.502 41.487 0.015 19178 3312 1 8 . 1 1 98 98 ASP H H 98 8.245 8.245 8.283 -0.038 19178 3313 1 9 . 1 1 16 16 GLN HA H 16 4.330 4.330 4.235 0.095 19178 3314 1 9 . 1 1 17 17 GLU N N 17 119.126 119.126 118.782 0.344 19178 3315 1 9 . 1 1 17 17 GLU HA H 17 4.329 4.329 4.362 -0.033 19178 3316 1 9 . 1 1 17 17 GLU H H 17 8.422 8.422 8.625 -0.203 19178 3317 1 9 . 1 1 18 18 GLN N N 18 120.450 120.450 118.504 1.946 19178 3318 1 9 . 1 1 18 18 GLN HA H 18 4.081 4.081 4.194 -0.113 19178 3319 1 9 . 1 1 18 18 GLN H H 18 8.729 8.729 7.746 0.983 19178 3320 1 9 . 1 1 19 19 TRP N N 19 121.902 121.902 121.394 0.508 19178 3321 1 9 . 1 1 19 19 TRP HA H 19 4.125 4.125 4.397 -0.272 19178 3322 1 9 . 1 1 19 19 TRP C C 19 179.400 179.400 177.786 1.614 19178 3323 1 9 . 1 1 19 19 TRP CA C 19 62.361 62.361 59.944 2.417 19178 3324 1 9 . 1 1 19 19 TRP CB C 19 29.938 29.938 29.597 0.341 19178 3325 1 9 . 1 1 19 19 TRP H H 19 8.561 8.561 8.028 0.533 19178 3326 1 9 . 1 1 20 20 ALA N N 20 122.759 122.759 123.665 -0.906 19178 3327 1 9 . 1 1 20 20 ALA HA H 20 3.815 3.815 3.621 0.194 19178 3328 1 9 . 1 1 20 20 ALA C C 20 180.433 180.433 178.896 1.537 19178 3329 1 9 . 1 1 20 20 ALA CA C 20 55.619 55.619 54.675 0.944 19178 3330 1 9 . 1 1 20 20 ALA CB C 20 18.474 18.474 17.973 0.502 19178 3331 1 9 . 1 1 20 20 ALA H H 20 8.828 8.828 7.722 1.106 19178 3332 1 9 . 1 1 21 21 MET N N 21 117.474 117.474 116.359 1.115 19178 3333 1 9 . 1 1 21 21 MET HA H 21 4.479 4.479 3.970 0.509 19178 3334 1 9 . 1 1 21 21 MET C C 21 178.744 178.744 178.298 0.446 19178 3335 1 9 . 1 1 21 21 MET CA C 21 56.778 56.778 58.270 -1.492 19178 3336 1 9 . 1 1 21 21 MET CB C 21 29.956 29.956 32.048 -2.092 19178 3337 1 9 . 1 1 21 21 MET H H 21 8.702 8.702 7.759 0.943 19178 3338 1 9 . 1 1 22 22 GLN N N 22 119.738 119.738 119.910 -0.172 19178 3339 1 9 . 1 1 22 22 GLN HA H 22 4.025 4.025 3.745 0.280 19178 3340 1 9 . 1 1 22 22 GLN C C 22 180.104 180.104 177.901 2.203 19178 3341 1 9 . 1 1 22 22 GLN CA C 22 58.872 58.872 59.171 -0.299 19178 3342 1 9 . 1 1 22 22 GLN CB C 22 27.880 27.880 27.969 -0.089 19178 3343 1 9 . 1 1 22 22 GLN H H 22 8.531 8.531 7.596 0.935 19178 3344 1 9 . 1 1 23 23 THR N N 23 117.049 117.049 115.874 1.175 19178 3345 1 9 . 1 1 23 23 THR HA H 23 3.715 3.715 3.962 -0.247 19178 3346 1 9 . 1 1 23 23 THR C C 23 177.477 177.477 176.351 1.126 19178 3347 1 9 . 1 1 23 23 THR CA C 23 66.380 66.380 65.652 0.728 19178 3348 1 9 . 1 1 23 23 THR CB C 23 67.579 67.579 68.375 -0.796 19178 3349 1 9 . 1 1 23 23 THR H H 23 7.752 7.752 7.633 0.119 19178 3350 1 9 . 1 1 24 24 LEU N N 24 125.735 125.735 122.122 3.613 19178 3351 1 9 . 1 1 24 24 LEU HA H 24 3.731 3.731 3.864 -0.133 19178 3352 1 9 . 1 1 24 24 LEU C C 24 178.544 178.544 179.217 -0.673 19178 3353 1 9 . 1 1 24 24 LEU CA C 24 58.882 58.882 58.253 0.629 19178 3354 1 9 . 1 1 24 24 LEU CB C 24 41.550 41.550 41.907 -0.357 19178 3355 1 9 . 1 1 24 24 LEU H H 24 7.886 7.886 7.352 0.534 19178 3356 1 9 . 1 1 25 25 MET N N 25 118.622 118.622 116.816 1.806 19178 3357 1 9 . 1 1 25 25 MET HA H 25 4.717 4.717 4.498 0.219 19178 3358 1 9 . 1 1 25 25 MET C C 25 181.465 181.465 178.110 3.355 19178 3359 1 9 . 1 1 25 25 MET CA C 25 55.604 55.604 58.240 -2.636 19178 3360 1 9 . 1 1 25 25 MET CB C 25 32.071 32.071 32.723 -0.652 19178 3361 1 9 . 1 1 25 25 MET H H 25 8.619 8.619 8.370 0.249 19178 3362 1 9 . 1 1 26 26 GLY N N 26 110.755 110.755 107.441 3.314 19178 3363 1 9 . 1 1 26 26 GLY C C 26 174.662 174.662 175.841 -1.179 19178 3364 1 9 . 1 1 26 26 GLY CA C 26 46.788 46.788 46.254 0.534 19178 3365 1 9 . 1 1 26 26 GLY H H 26 8.953 8.953 8.053 0.900 19178 3366 1 9 . 1 1 27 27 SER N N 27 109.977 109.977 116.505 -6.528 19178 3367 1 9 . 1 1 27 27 SER HA H 27 4.422 4.422 4.225 0.197 19178 3368 1 9 . 1 1 27 27 SER C C 27 175.612 175.612 175.489 0.123 19178 3369 1 9 . 1 1 27 27 SER CA C 27 58.309 58.309 58.674 -0.365 19178 3370 1 9 . 1 1 27 27 SER CB C 27 64.423 64.423 63.127 1.296 19178 3371 1 9 . 1 1 27 27 SER H H 27 7.335 7.335 7.618 -0.283 19178 3372 1 9 . 1 1 28 28 GLY N N 28 110.105 110.105 107.452 2.653 19178 3373 1 9 . 1 1 28 28 GLY C C 28 174.029 174.029 174.572 -0.543 19178 3374 1 9 . 1 1 28 28 GLY CA C 28 45.371 45.371 45.514 -0.143 19178 3375 1 9 . 1 1 28 28 GLY H H 28 7.536 7.536 7.888 -0.352 19178 3376 1 9 . 1 1 29 29 VAL N N 29 121.444 121.444 119.604 1.840 19178 3377 1 9 . 1 1 29 29 VAL HA H 29 4.720 4.720 3.915 0.805 19178 3378 1 9 . 1 1 29 29 VAL C C 29 177.149 177.149 175.731 1.418 19178 3379 1 9 . 1 1 29 29 VAL CA C 29 66.474 66.474 65.207 1.267 19178 3380 1 9 . 1 1 29 29 VAL CB C 29 32.694 32.694 32.327 0.367 19178 3381 1 9 . 1 1 29 29 VAL H H 29 7.738 7.738 7.527 0.211 19178 3382 1 9 . 1 1 30 30 LEU N N 30 115.594 115.594 116.207 -0.613 19178 3383 1 9 . 1 1 30 30 LEU HA H 30 5.349 5.349 4.600 0.749 19178 3384 1 9 . 1 1 30 30 LEU C C 30 174.427 174.427 174.732 -0.305 19178 3385 1 9 . 1 1 30 30 LEU CA C 30 52.231 52.231 53.056 -0.825 19178 3386 1 9 . 1 1 30 30 LEU CB C 30 43.525 43.525 44.773 -1.248 19178 3387 1 9 . 1 1 30 30 LEU H H 30 7.090 7.090 7.208 -0.118 19178 3388 1 9 . 1 1 31 31 ALA N N 31 122.020 122.020 121.110 0.910 19178 3389 1 9 . 1 1 31 31 ALA HA H 31 4.539 4.539 4.706 -0.167 19178 3390 1 9 . 1 1 31 31 ALA C C 31 175.130 175.130 175.537 -0.407 19178 3391 1 9 . 1 1 31 31 ALA CA C 31 50.963 50.963 51.047 -0.084 19178 3392 1 9 . 1 1 31 31 ALA CB C 31 22.314 22.314 21.110 1.204 19178 3393 1 9 . 1 1 31 31 ALA H H 31 8.981 8.981 8.646 0.335 19178 3394 1 9 . 1 1 32 32 ARG N N 32 118.606 118.606 121.716 -3.110 19178 3395 1 9 . 1 1 32 32 ARG HA H 32 5.342 5.342 4.835 0.507 19178 3396 1 9 . 1 1 32 32 ARG C C 32 178.051 178.051 175.095 2.956 19178 3397 1 9 . 1 1 32 32 ARG CA C 32 54.543 54.543 54.267 0.276 19178 3398 1 9 . 1 1 32 32 ARG CB C 32 31.485 31.485 31.489 -0.004 19178 3399 1 9 . 1 1 32 32 ARG H H 32 8.223 8.223 8.210 0.013 19178 3400 1 9 . 1 1 33 33 CYS N N 33 125.750 125.750 123.180 2.570 19178 3401 1 9 . 1 1 33 33 CYS HA H 33 4.117 4.117 4.594 -0.477 19178 3402 1 9 . 1 1 33 33 CYS C C 33 175.978 175.978 176.575 -0.597 19178 3403 1 9 . 1 1 33 33 CYS CA C 33 60.620 60.620 58.389 2.231 19178 3404 1 9 . 1 1 33 33 CYS CB C 33 27.213 27.213 29.357 -2.144 19178 3405 1 9 . 1 1 33 33 CYS H H 33 8.314 8.314 8.508 -0.194 19178 3406 1 9 . 1 1 34 34 ARG N N 34 128.053 128.053 128.513 -0.460 19178 3407 1 9 . 1 1 34 34 ARG HA H 34 3.926 3.926 4.065 -0.139 19178 3408 1 9 . 1 1 34 34 ARG C C 34 176.565 176.565 176.042 0.523 19178 3409 1 9 . 1 1 34 34 ARG CA C 34 58.719 58.719 58.359 0.360 19178 3410 1 9 . 1 1 34 34 ARG CB C 34 30.159 30.159 29.435 0.724 19178 3411 1 9 . 1 1 34 34 ARG H H 34 8.578 8.578 8.720 -0.142 19178 3412 1 9 . 1 1 35 35 ILE N N 35 122.502 122.502 117.081 5.421 19178 3413 1 9 . 1 1 35 35 ILE HA H 35 3.843 3.843 3.952 -0.109 19178 3414 1 9 . 1 1 35 35 ILE C C 35 176.028 176.028 174.909 1.119 19178 3415 1 9 . 1 1 35 35 ILE CA C 35 62.035 62.035 60.897 1.138 19178 3416 1 9 . 1 1 35 35 ILE CB C 35 39.125 39.125 38.726 0.399 19178 3417 1 9 . 1 1 35 35 ILE H H 35 8.932 8.932 7.298 1.634 19178 3418 1 9 . 1 1 36 36 HIS N N 36 121.974 121.974 120.050 1.924 19178 3419 1 9 . 1 1 36 36 HIS HA H 36 4.569 4.569 4.840 -0.271 19178 3420 1 9 . 1 1 36 36 HIS CB C 36 31.187 31.187 29.925 1.262 19178 3421 1 9 . 1 1 36 36 HIS H H 36 8.078 8.078 7.575 0.503 19178 3422 1 9 . 1 1 37 37 ASN N N 37 119.433 119.433 121.029 -1.596 19178 3423 1 9 . 1 1 37 37 ASN HA H 37 4.399 4.399 4.693 -0.294 19178 3424 1 9 . 1 1 37 37 ASN C C 37 173.906 173.906 175.418 -1.512 19178 3425 1 9 . 1 1 37 37 ASN CA C 37 56.407 56.407 55.126 1.282 19178 3426 1 9 . 1 1 37 37 ASN CB C 37 39.331 39.331 39.245 0.086 19178 3427 1 9 . 1 1 37 37 ASN H H 37 8.386 8.386 8.592 -0.206 19178 3428 1 9 . 1 1 38 38 ASP N N 38 112.673 112.673 118.632 -5.959 19178 3429 1 9 . 1 1 38 38 ASP HA H 38 4.385 4.385 4.744 -0.359 19178 3430 1 9 . 1 1 38 38 ASP C C 38 175.841 175.841 174.471 1.370 19178 3431 1 9 . 1 1 38 38 ASP CA C 38 53.983 53.983 53.918 0.065 19178 3432 1 9 . 1 1 38 38 ASP CB C 38 40.263 40.263 40.798 -0.535 19178 3433 1 9 . 1 1 38 38 ASP H H 38 8.880 8.880 8.429 0.451 19178 3434 1 9 . 1 1 39 39 VAL N N 39 124.385 124.385 119.569 4.816 19178 3435 1 9 . 1 1 39 39 VAL HA H 39 3.944 3.944 4.064 -0.120 19178 3436 1 9 . 1 1 39 39 VAL C C 39 173.731 173.731 174.153 -0.422 19178 3437 1 9 . 1 1 39 39 VAL CA C 39 63.514 63.514 61.263 2.251 19178 3438 1 9 . 1 1 39 39 VAL CB C 39 32.408 32.408 34.128 -1.720 19178 3439 1 9 . 1 1 39 39 VAL H H 39 8.253 8.253 7.246 1.007 19178 3440 1 9 . 1 1 40 40 ILE N N 40 128.130 128.130 126.265 1.865 19178 3441 1 9 . 1 1 40 40 ILE HA H 40 4.222 4.222 4.266 -0.044 19178 3442 1 9 . 1 1 40 40 ILE C C 40 174.090 174.090 173.683 0.407 19178 3443 1 9 . 1 1 40 40 ILE CA C 40 60.635 60.635 58.405 2.230 19178 3444 1 9 . 1 1 40 40 ILE CB C 40 38.281 38.281 39.032 -0.751 19178 3445 1 9 . 1 1 40 40 ILE H H 40 7.836 7.836 7.466 0.370 19178 3446 1 9 . 1 1 41 41 LEU N N 41 124.924 124.924 128.226 -3.302 19178 3447 1 9 . 1 1 41 41 LEU HA H 41 4.884 4.884 4.530 0.354 19178 3448 1 9 . 1 1 41 41 LEU C C 41 175.989 175.989 175.223 0.766 19178 3449 1 9 . 1 1 41 41 LEU CA C 41 52.654 52.654 53.265 -0.611 19178 3450 1 9 . 1 1 41 41 LEU CB C 41 45.122 45.122 43.773 1.349 19178 3451 1 9 . 1 1 41 41 LEU H H 41 8.836 8.836 8.840 -0.004 19178 3452 1 9 . 1 1 42 42 ASP N N 42 119.247 119.247 121.094 -1.847 19178 3453 1 9 . 1 1 42 42 ASP HA H 42 4.858 4.858 4.710 0.147 19178 3454 1 9 . 1 1 42 42 ASP C C 42 176.128 176.128 175.298 0.830 19178 3455 1 9 . 1 1 42 42 ASP CA C 42 53.328 53.328 53.038 0.290 19178 3456 1 9 . 1 1 42 42 ASP CB C 42 41.408 41.408 42.920 -1.512 19178 3457 1 9 . 1 1 42 42 ASP H H 42 8.725 8.725 8.433 0.292 19178 3458 1 9 . 1 1 43 43 SER N N 43 123.344 123.344 122.481 0.863 19178 3459 1 9 . 1 1 43 43 SER HA H 43 4.178 4.178 4.629 -0.451 19178 3460 1 9 . 1 1 43 43 SER C C 43 176.291 176.291 175.345 0.946 19178 3461 1 9 . 1 1 43 43 SER CA C 43 60.431 60.431 59.036 1.395 19178 3462 1 9 . 1 1 43 43 SER CB C 43 64.943 64.943 64.352 0.591 19178 3463 1 9 . 1 1 43 43 SER H H 43 8.462 8.462 8.392 0.070 19178 3464 1 9 . 1 1 44 44 GLY N N 44 112.184 112.184 109.427 2.757 19178 3465 1 9 . 1 1 44 44 GLY C C 44 174.525 174.525 174.064 0.461 19178 3466 1 9 . 1 1 44 44 GLY CA C 44 45.368 45.368 44.964 0.404 19178 3467 1 9 . 1 1 44 44 GLY H H 44 9.230 9.230 8.643 0.587 19178 3468 1 9 . 1 1 45 45 ASN N N 45 119.774 119.774 118.138 1.636 19178 3469 1 9 . 1 1 45 45 ASN HA H 45 4.681 4.681 4.748 -0.067 19178 3470 1 9 . 1 1 45 45 ASN C C 45 174.866 174.866 174.733 0.133 19178 3471 1 9 . 1 1 45 45 ASN CA C 45 52.807 52.807 52.529 0.278 19178 3472 1 9 . 1 1 45 45 ASN CB C 45 39.241 39.241 39.264 -0.022 19178 3473 1 9 . 1 1 45 45 ASN H H 45 8.486 8.486 8.047 0.439 19178 3474 1 9 . 1 1 46 46 ASP N N 46 120.223 120.223 120.216 0.007 19178 3475 1 9 . 1 1 46 46 ASP HA H 46 4.367 4.367 4.418 -0.051 19178 3476 1 9 . 1 1 46 46 ASP C C 46 177.272 177.272 176.162 1.110 19178 3477 1 9 . 1 1 46 46 ASP CA C 46 54.869 54.869 54.931 -0.062 19178 3478 1 9 . 1 1 46 46 ASP CB C 46 42.461 42.461 39.808 2.653 19178 3479 1 9 . 1 1 46 46 ASP H H 46 8.387 8.387 8.606 -0.219 19178 3480 1 9 . 1 1 47 47 ALA N N 47 126.587 126.587 129.149 -2.562 19178 3481 1 9 . 1 1 47 47 ALA HA H 47 3.741 3.741 3.828 -0.087 19178 3482 1 9 . 1 1 47 47 ALA C C 47 177.980 177.980 177.797 0.183 19178 3483 1 9 . 1 1 47 47 ALA CA C 47 53.866 53.866 54.205 -0.339 19178 3484 1 9 . 1 1 47 47 ALA CB C 47 16.554 16.554 18.555 -2.001 19178 3485 1 9 . 1 1 47 47 ALA H H 47 8.747 8.747 8.179 0.568 19178 3486 1 9 . 1 1 48 48 SER N N 48 115.463 115.463 114.018 1.445 19178 3487 1 9 . 1 1 48 48 SER HA H 48 4.203 4.203 3.831 0.372 19178 3488 1 9 . 1 1 48 48 SER CA C 48 61.994 61.994 61.089 0.905 19178 3489 1 9 . 1 1 48 48 SER H H 48 8.973 8.973 8.072 0.901 19178 3490 1 9 . 1 1 49 49 SER C C 49 176.587 176.587 175.918 0.669 19178 3491 1 9 . 1 1 49 49 SER CA C 49 62.279 62.279 61.449 0.830 19178 3492 1 9 . 1 1 50 50 ALA N N 50 125.775 125.775 124.457 1.318 19178 3493 1 9 . 1 1 50 50 ALA HA H 50 4.076 4.076 4.040 0.036 19178 3494 1 9 . 1 1 50 50 ALA C C 50 179.125 179.125 180.102 -0.977 19178 3495 1 9 . 1 1 50 50 ALA CA C 50 54.822 54.822 54.849 -0.027 19178 3496 1 9 . 1 1 50 50 ALA CB C 50 18.834 18.834 18.314 0.519 19178 3497 1 9 . 1 1 50 50 ALA H H 50 7.620 7.620 7.337 0.283 19178 3498 1 9 . 1 1 51 51 TYR N N 51 117.562 117.562 118.041 -0.479 19178 3499 1 9 . 1 1 51 51 TYR HA H 51 4.275 4.275 4.126 0.149 19178 3500 1 9 . 1 1 51 51 TYR C C 51 179.622 179.622 178.259 1.363 19178 3501 1 9 . 1 1 51 51 TYR CA C 51 60.966 60.966 58.688 2.278 19178 3502 1 9 . 1 1 51 51 TYR CB C 51 36.803 36.803 37.066 -0.264 19178 3503 1 9 . 1 1 51 51 TYR H H 51 7.397 7.397 8.303 -0.906 19178 3504 1 9 . 1 1 52 52 LYS N N 52 121.441 121.441 120.854 0.587 19178 3505 1 9 . 1 1 52 52 LYS HA H 52 4.103 4.103 4.020 0.083 19178 3506 1 9 . 1 1 52 52 LYS C C 52 179.041 179.041 178.967 0.074 19178 3507 1 9 . 1 1 52 52 LYS CA C 52 59.827 59.827 58.873 0.954 19178 3508 1 9 . 1 1 52 52 LYS H H 52 8.332 8.332 7.898 0.434 19178 3509 1 9 . 1 1 53 53 LEU N N 53 122.286 122.286 118.415 3.871 19178 3510 1 9 . 1 1 53 53 LEU HA H 53 4.376 4.376 3.815 0.561 19178 3511 1 9 . 1 1 53 53 LEU C C 53 178.373 178.373 179.064 -0.691 19178 3512 1 9 . 1 1 53 53 LEU CA C 53 57.863 57.863 57.938 -0.076 19178 3513 1 9 . 1 1 53 53 LEU CB C 53 41.288 41.288 41.465 -0.177 19178 3514 1 9 . 1 1 53 53 LEU H H 53 7.671 7.671 8.426 -0.755 19178 3515 1 9 . 1 1 54 54 GLY N N 54 127.824 127.824 107.239 20.585 19178 3516 1 9 . 1 1 54 54 GLY C C 54 174.865 174.865 175.784 -0.919 19178 3517 1 9 . 1 1 54 54 GLY CA C 54 47.971 47.971 47.665 0.306 19178 3518 1 9 . 1 1 54 54 GLY H H 54 9.020 9.020 8.666 0.354 19178 3519 1 9 . 1 1 55 55 THR N N 55 117.961 117.961 117.270 0.691 19178 3520 1 9 . 1 1 55 55 THR HA H 55 4.445 4.445 4.226 0.219 19178 3521 1 9 . 1 1 55 55 THR C C 55 175.188 175.188 176.882 -1.694 19178 3522 1 9 . 1 1 55 55 THR CA C 55 67.593 67.593 66.394 1.199 19178 3523 1 9 . 1 1 55 55 THR H H 55 8.123 8.123 8.511 -0.388 19178 3524 1 9 . 1 1 56 56 TYR N N 56 122.294 122.294 123.275 -0.981 19178 3525 1 9 . 1 1 56 56 TYR HA H 56 4.346 4.346 4.494 -0.148 19178 3526 1 9 . 1 1 56 56 TYR C C 56 177.909 177.909 177.956 -0.047 19178 3527 1 9 . 1 1 56 56 TYR CA C 56 61.147 61.147 59.339 1.808 19178 3528 1 9 . 1 1 56 56 TYR CB C 56 37.981 37.981 37.741 0.240 19178 3529 1 9 . 1 1 56 56 TYR H H 56 7.697 7.697 8.090 -0.393 19178 3530 1 9 . 1 1 57 57 LEU N N 57 118.703 118.703 119.321 -0.618 19178 3531 1 9 . 1 1 57 57 LEU HA H 57 3.914 3.914 3.923 -0.009 19178 3532 1 9 . 1 1 57 57 LEU C C 57 180.087 180.087 178.831 1.256 19178 3533 1 9 . 1 1 57 57 LEU CA C 57 57.780 57.780 57.833 -0.053 19178 3534 1 9 . 1 1 57 57 LEU CB C 57 42.026 42.026 42.173 -0.147 19178 3535 1 9 . 1 1 57 57 LEU H H 57 8.909 8.909 7.905 1.004 19178 3536 1 9 . 1 1 58 58 TYR N N 58 120.667 120.667 113.820 6.847 19178 3537 1 9 . 1 1 58 58 TYR HA H 58 4.209 4.209 4.339 -0.130 19178 3538 1 9 . 1 1 58 58 TYR C C 58 177.511 177.511 176.702 0.809 19178 3539 1 9 . 1 1 58 58 TYR CA C 58 61.641 61.641 59.900 1.741 19178 3540 1 9 . 1 1 58 58 TYR H H 58 8.971 8.971 8.177 0.794 19178 3541 1 9 . 1 1 59 59 GLN N N 59 119.344 119.344 117.589 1.755 19178 3542 1 9 . 1 1 59 59 GLN HA H 59 4.668 4.668 4.750 -0.082 19178 3543 1 9 . 1 1 59 59 GLN C C 59 179.270 179.270 175.246 4.024 19178 3544 1 9 . 1 1 59 59 GLN H H 59 8.378 8.378 7.923 0.455 19178 3545 1 9 . 1 1 67 67 PHE HA H 67 4.852 4.852 4.430 0.422 19178 3546 1 9 . 1 1 67 67 PHE C C 67 175.889 175.889 176.106 -0.217 19178 3547 1 9 . 1 1 67 67 PHE CA C 67 55.576 55.576 57.349 -1.773 19178 3548 1 9 . 1 1 67 67 PHE CB C 67 42.444 42.444 38.009 4.435 19178 3549 1 9 . 1 1 68 68 ASN N N 68 120.775 120.775 123.810 -3.035 19178 3550 1 9 . 1 1 68 68 ASN C C 68 175.338 175.338 175.010 0.328 19178 3551 1 9 . 1 1 68 68 ASN CA C 68 55.092 55.092 52.971 2.121 19178 3552 1 9 . 1 1 68 68 ASN CB C 68 40.006 40.006 39.805 0.201 19178 3553 1 9 . 1 1 68 68 ASN H H 68 9.560 9.560 8.437 1.123 19178 3554 1 9 . 1 1 69 69 THR N N 69 127.914 127.914 117.410 10.504 19178 3555 1 9 . 1 1 69 69 THR HA H 69 4.732 4.732 4.498 0.234 19178 3556 1 9 . 1 1 69 69 THR C C 69 173.530 173.530 174.676 -1.146 19178 3557 1 9 . 1 1 69 69 THR CA C 69 58.877 58.877 61.689 -2.812 19178 3558 1 9 . 1 1 69 69 THR CB C 69 73.620 73.620 70.239 3.381 19178 3559 1 9 . 1 1 69 69 THR H H 69 7.237 7.237 8.338 -1.101 19178 3560 1 9 . 1 1 70 70 LEU N N 70 122.013 122.013 128.582 -6.569 19178 3561 1 9 . 1 1 70 70 LEU HA H 70 3.005 3.005 4.318 -1.313 19178 3562 1 9 . 1 1 70 70 LEU C C 70 178.252 178.252 177.963 0.289 19178 3563 1 9 . 1 1 70 70 LEU CA C 70 56.721 56.721 57.385 -0.664 19178 3564 1 9 . 1 1 70 70 LEU CB C 70 41.199 41.199 41.727 -0.528 19178 3565 1 9 . 1 1 70 70 LEU H H 70 8.614 8.614 8.861 -0.247 19178 3566 1 9 . 1 1 71 71 THR N N 71 114.041 114.041 115.149 -1.108 19178 3567 1 9 . 1 1 71 71 THR HA H 71 3.620 3.620 3.846 -0.226 19178 3568 1 9 . 1 1 71 71 THR C C 71 175.400 175.400 176.332 -0.932 19178 3569 1 9 . 1 1 71 71 THR CA C 71 66.405 66.405 66.671 -0.266 19178 3570 1 9 . 1 1 71 71 THR CB C 71 68.517 68.517 68.198 0.319 19178 3571 1 9 . 1 1 71 71 THR H H 71 7.694 7.694 8.241 -0.547 19178 3572 1 9 . 1 1 72 72 GLU N N 72 120.141 120.141 121.154 -1.013 19178 3573 1 9 . 1 1 72 72 GLU HA H 72 3.997 3.997 3.966 0.031 19178 3574 1 9 . 1 1 72 72 GLU C C 72 178.982 178.982 177.930 1.052 19178 3575 1 9 . 1 1 72 72 GLU CA C 72 59.250 59.250 59.660 -0.410 19178 3576 1 9 . 1 1 72 72 GLU CB C 72 30.907 30.907 29.004 1.903 19178 3577 1 9 . 1 1 72 72 GLU H H 72 7.514 7.514 7.603 -0.089 19178 3578 1 9 . 1 1 73 73 ALA N N 73 123.400 123.400 122.712 0.688 19178 3579 1 9 . 1 1 73 73 ALA HA H 73 2.167 2.167 3.544 -1.377 19178 3580 1 9 . 1 1 73 73 ALA C C 73 178.959 178.959 179.167 -0.208 19178 3581 1 9 . 1 1 73 73 ALA CA C 73 54.323 54.323 54.740 -0.417 19178 3582 1 9 . 1 1 73 73 ALA CB C 73 17.561 17.561 18.157 -0.595 19178 3583 1 9 . 1 1 73 73 ALA H H 73 6.788 6.788 7.391 -0.603 19178 3584 1 9 . 1 1 74 74 ARG N N 74 116.272 116.272 117.697 -1.425 19178 3585 1 9 . 1 1 74 74 ARG HA H 74 3.887 3.887 3.701 0.186 19178 3586 1 9 . 1 1 74 74 ARG C C 74 179.230 179.230 177.916 1.314 19178 3587 1 9 . 1 1 74 74 ARG CA C 74 60.442 60.442 59.346 1.096 19178 3588 1 9 . 1 1 74 74 ARG CB C 74 29.878 29.878 29.844 0.034 19178 3589 1 9 . 1 1 74 74 ARG H H 74 8.145 8.145 8.478 -0.333 19178 3590 1 9 . 1 1 75 75 ASP N N 75 120.487 120.487 119.603 0.884 19178 3591 1 9 . 1 1 75 75 ASP HA H 75 4.446 4.446 4.449 -0.003 19178 3592 1 9 . 1 1 75 75 ASP C C 75 178.040 178.040 178.247 -0.207 19178 3593 1 9 . 1 1 75 75 ASP CA C 75 57.166 57.166 56.898 0.268 19178 3594 1 9 . 1 1 75 75 ASP CB C 75 39.687 39.687 40.248 -0.561 19178 3595 1 9 . 1 1 75 75 ASP H H 75 8.594 8.594 8.253 0.341 19178 3596 1 9 . 1 1 76 76 ALA N N 76 122.773 122.773 123.182 -0.409 19178 3597 1 9 . 1 1 76 76 ALA HA H 76 4.345 4.345 4.067 0.278 19178 3598 1 9 . 1 1 76 76 ALA C C 76 181.221 181.221 179.735 1.486 19178 3599 1 9 . 1 1 76 76 ALA CA C 76 55.245 55.245 55.302 -0.057 19178 3600 1 9 . 1 1 76 76 ALA CB C 76 18.316 18.316 18.635 -0.319 19178 3601 1 9 . 1 1 76 76 ALA H H 76 7.668 7.668 7.815 -0.147 19178 3602 1 9 . 1 1 77 77 ILE N N 77 120.254 120.254 116.236 4.018 19178 3603 1 9 . 1 1 77 77 ILE HA H 77 3.632 3.632 3.835 -0.203 19178 3604 1 9 . 1 1 77 77 ILE C C 77 176.567 176.567 177.564 -0.997 19178 3605 1 9 . 1 1 77 77 ILE CA C 77 66.365 66.365 64.828 1.537 19178 3606 1 9 . 1 1 77 77 ILE CB C 77 37.947 37.947 37.424 0.523 19178 3607 1 9 . 1 1 77 77 ILE H H 77 7.724 7.724 8.285 -0.561 19178 3608 1 9 . 1 1 78 78 LYS N N 78 122.773 122.773 120.769 2.004 19178 3609 1 9 . 1 1 78 78 LYS HA H 78 4.265 4.265 3.793 0.472 19178 3610 1 9 . 1 1 78 78 LYS C C 78 178.382 178.382 178.633 -0.251 19178 3611 1 9 . 1 1 78 78 LYS CA C 78 60.442 60.442 59.639 0.803 19178 3612 1 9 . 1 1 78 78 LYS CB C 78 33.021 33.021 31.714 1.307 19178 3613 1 9 . 1 1 78 78 LYS H H 78 8.465 8.465 8.326 0.139 19178 3614 1 9 . 1 1 79 79 ASP N N 79 118.165 118.165 118.513 -0.348 19178 3615 1 9 . 1 1 79 79 ASP HA H 79 4.353 4.353 4.543 -0.190 19178 3616 1 9 . 1 1 79 79 ASP C C 79 179.289 179.289 178.271 1.018 19178 3617 1 9 . 1 1 79 79 ASP CA C 79 57.245 57.245 56.740 0.505 19178 3618 1 9 . 1 1 79 79 ASP H H 79 8.541 8.541 8.318 0.223 19178 3619 1 9 . 1 1 80 80 ALA N N 80 122.362 122.362 123.130 -0.768 19178 3620 1 9 . 1 1 80 80 ALA HA H 80 4.340 4.340 4.218 0.122 19178 3621 1 9 . 1 1 80 80 ALA C C 80 179.265 179.265 179.957 -0.692 19178 3622 1 9 . 1 1 80 80 ALA CA C 80 54.979 54.979 55.308 -0.329 19178 3623 1 9 . 1 1 80 80 ALA CB C 80 18.254 18.254 18.679 -0.425 19178 3624 1 9 . 1 1 80 80 ALA H H 80 7.727 7.727 7.867 -0.140 19178 3625 1 9 . 1 1 81 81 TYR N N 81 118.882 118.882 118.006 0.876 19178 3626 1 9 . 1 1 81 81 TYR HA H 81 4.115 4.115 4.288 -0.173 19178 3627 1 9 . 1 1 81 81 TYR C C 81 178.146 178.146 178.255 -0.109 19178 3628 1 9 . 1 1 81 81 TYR CA C 81 61.635 61.635 61.234 0.401 19178 3629 1 9 . 1 1 81 81 TYR CB C 81 38.115 38.115 38.443 -0.328 19178 3630 1 9 . 1 1 81 81 TYR H H 81 9.037 9.037 9.234 -0.197 19178 3631 1 9 . 1 1 82 82 GLU N N 82 116.630 116.630 118.371 -1.741 19178 3632 1 9 . 1 1 82 82 GLU HA H 82 3.816 3.816 4.178 -0.362 19178 3633 1 9 . 1 1 82 82 GLU C C 82 178.664 178.664 178.341 0.323 19178 3634 1 9 . 1 1 82 82 GLU CA C 82 59.304 59.304 58.587 0.717 19178 3635 1 9 . 1 1 82 82 GLU CB C 82 28.848 28.848 29.698 -0.850 19178 3636 1 9 . 1 1 82 82 GLU H H 82 8.854 8.854 8.131 0.723 19178 3637 1 9 . 1 1 83 83 SER N N 83 114.004 114.004 115.013 -1.009 19178 3638 1 9 . 1 1 83 83 SER HA H 83 4.164 4.164 4.272 -0.108 19178 3639 1 9 . 1 1 83 83 SER C C 83 174.387 174.387 175.606 -1.219 19178 3640 1 9 . 1 1 83 83 SER CA C 83 61.038 61.038 60.677 0.361 19178 3641 1 9 . 1 1 83 83 SER CB C 83 63.152 63.152 63.716 -0.564 19178 3642 1 9 . 1 1 83 83 SER H H 83 7.573 7.573 8.219 -0.646 19178 3643 1 9 . 1 1 84 84 TYR N N 84 117.323 117.323 119.436 -2.113 19178 3644 1 9 . 1 1 84 84 TYR HA H 84 4.595 4.595 4.688 -0.093 19178 3645 1 9 . 1 1 84 84 TYR C C 84 174.434 174.434 175.258 -0.824 19178 3646 1 9 . 1 1 84 84 TYR CA C 84 58.871 58.871 56.983 1.888 19178 3647 1 9 . 1 1 84 84 TYR CB C 84 41.746 41.746 38.609 3.137 19178 3648 1 9 . 1 1 84 84 TYR H H 84 7.319 7.319 8.164 -0.845 19178 3649 1 9 . 1 1 85 85 CYS N N 85 118.762 118.762 119.289 -0.527 19178 3650 1 9 . 1 1 85 85 CYS HA H 85 3.940 3.940 4.156 -0.216 19178 3651 1 9 . 1 1 85 85 CYS C C 85 176.178 176.178 175.976 0.202 19178 3652 1 9 . 1 1 85 85 CYS CA C 85 58.817 58.817 61.309 -2.492 19178 3653 1 9 . 1 1 85 85 CYS CB C 85 26.042 26.042 28.168 -2.126 19178 3654 1 9 . 1 1 85 85 CYS H H 85 7.670 7.670 7.750 -0.080 19178 3655 1 9 . 1 1 86 86 GLY N N 86 113.730 113.730 115.735 -2.005 19178 3656 1 9 . 1 1 86 86 GLY C C 86 174.587 174.587 173.650 0.937 19178 3657 1 9 . 1 1 86 86 GLY CA C 86 45.214 45.214 44.892 0.322 19178 3658 1 9 . 1 1 86 86 GLY H H 86 10.799 10.799 8.836 1.963 19178 3659 1 9 . 1 1 87 87 ILE N N 87 122.743 122.743 117.848 4.895 19178 3660 1 9 . 1 1 87 87 ILE HA H 87 4.291 4.291 4.600 -0.309 19178 3661 1 9 . 1 1 87 87 ILE C C 87 174.340 174.340 173.431 0.909 19178 3662 1 9 . 1 1 87 87 ILE CA C 87 60.968 60.968 59.726 1.242 19178 3663 1 9 . 1 1 87 87 ILE CB C 87 35.512 35.512 39.542 -4.030 19178 3664 1 9 . 1 1 87 87 ILE H H 87 8.023 8.023 7.533 0.490 19178 3665 1 9 . 1 1 88 88 ASP N N 88 125.059 125.059 126.117 -1.058 19178 3666 1 9 . 1 1 88 88 ASP HA H 88 4.750 4.750 5.173 -0.423 19178 3667 1 9 . 1 1 88 88 ASP C C 88 175.895 175.895 174.724 1.171 19178 3668 1 9 . 1 1 88 88 ASP CA C 88 54.319 54.319 54.636 -0.317 19178 3669 1 9 . 1 1 88 88 ASP CB C 88 41.692 41.692 42.192 -0.500 19178 3670 1 9 . 1 1 88 88 ASP H H 88 8.127 8.127 8.764 -0.637 19178 3671 1 9 . 1 1 89 89 ASP N N 89 117.971 117.971 118.261 -0.290 19178 3672 1 9 . 1 1 89 89 ASP HA H 89 4.822 4.822 4.758 0.064 19178 3673 1 9 . 1 1 89 89 ASP C C 89 174.069 174.069 175.004 -0.935 19178 3674 1 9 . 1 1 89 89 ASP CA C 89 52.369 52.369 53.460 -1.091 19178 3675 1 9 . 1 1 89 89 ASP CB C 89 43.625 43.625 44.398 -0.773 19178 3676 1 9 . 1 1 89 89 ASP H H 89 7.617 7.617 7.582 0.035 19178 3677 1 9 . 1 1 90 90 CYS N N 90 126.238 126.238 119.826 6.412 19178 3678 1 9 . 1 1 90 90 CYS C C 90 175.636 175.636 175.783 -0.147 19178 3679 1 9 . 1 1 90 90 CYS CA C 90 56.215 56.215 55.834 0.381 19178 3680 1 9 . 1 1 90 90 CYS H H 90 8.936 8.936 8.411 0.525 19178 3681 1 9 . 1 1 91 91 PRO HA H 91 4.460 4.460 4.288 0.172 19178 3682 1 9 . 1 1 91 91 PRO C C 91 178.629 178.629 178.341 0.288 19178 3683 1 9 . 1 1 91 91 PRO CA C 91 64.614 64.614 64.995 -0.381 19178 3684 1 9 . 1 1 91 91 PRO CB C 91 32.208 32.208 32.089 0.119 19178 3685 1 9 . 1 1 92 92 GLN N N 92 119.363 119.363 118.963 0.400 19178 3686 1 9 . 1 1 92 92 GLN HA H 92 4.060 4.060 4.004 0.056 19178 3687 1 9 . 1 1 92 92 GLN C C 92 178.181 178.181 177.923 0.258 19178 3688 1 9 . 1 1 92 92 GLN CA C 92 57.837 57.837 59.277 -1.440 19178 3689 1 9 . 1 1 92 92 GLN CB C 92 28.252 28.252 28.003 0.249 19178 3690 1 9 . 1 1 92 92 GLN H H 92 8.253 8.253 8.408 -0.155 19178 3691 1 9 . 1 1 93 93 CYS N N 93 124.725 124.725 115.146 9.579 19178 3692 1 9 . 1 1 93 93 CYS HA H 93 4.269 4.269 4.301 -0.032 19178 3693 1 9 . 1 1 93 93 CYS C C 93 177.180 177.180 176.582 0.598 19178 3694 1 9 . 1 1 93 93 CYS CA C 93 64.366 64.366 61.856 2.510 19178 3695 1 9 . 1 1 93 93 CYS CB C 93 30.379 30.379 26.270 4.109 19178 3696 1 9 . 1 1 93 93 CYS H H 93 8.581 8.581 8.413 0.168 19178 3697 1 9 . 1 1 94 94 SER N N 94 113.467 113.467 113.448 0.019 19178 3698 1 9 . 1 1 94 94 SER HA H 94 4.277 4.277 4.272 0.005 19178 3699 1 9 . 1 1 94 94 SER C C 94 174.481 174.481 176.053 -1.572 19178 3700 1 9 . 1 1 94 94 SER CA C 94 59.432 59.432 60.737 -1.305 19178 3701 1 9 . 1 1 94 94 SER CB C 94 63.217 63.217 63.318 -0.101 19178 3702 1 9 . 1 1 94 94 SER H H 94 7.753 7.753 7.440 0.313 19178 3703 1 9 . 1 1 95 95 LYS N N 95 121.369 121.369 119.423 1.946 19178 3704 1 9 . 1 1 95 95 LYS HA H 95 4.211 4.211 4.309 -0.098 19178 3705 1 9 . 1 1 95 95 LYS C C 95 176.237 176.237 176.985 -0.748 19178 3706 1 9 . 1 1 95 95 LYS CA C 95 56.622 56.622 58.124 -1.502 19178 3707 1 9 . 1 1 95 95 LYS CB C 95 32.756 32.756 33.071 -0.315 19178 3708 1 9 . 1 1 95 95 LYS H H 95 7.520 7.520 7.940 -0.420 19178 3709 1 9 . 1 1 96 96 TYR N N 96 121.000 121.000 117.275 3.725 19178 3710 1 9 . 1 1 96 96 TYR HA H 96 4.559 4.559 4.641 -0.082 19178 3711 1 9 . 1 1 96 96 TYR C C 96 175.577 175.577 174.454 1.123 19178 3712 1 9 . 1 1 96 96 TYR CA C 96 58.039 58.039 56.394 1.645 19178 3713 1 9 . 1 1 96 96 TYR CB C 96 38.694 38.694 41.683 -2.989 19178 3714 1 9 . 1 1 96 96 TYR H H 96 8.005 8.005 7.887 0.118 19178 3715 1 9 . 1 1 97 97 ILE N N 97 123.003 123.003 117.687 5.316 19178 3716 1 9 . 1 1 97 97 ILE HA H 97 4.120 4.120 4.480 -0.360 19178 3717 1 9 . 1 1 97 97 ILE C C 97 175.194 175.194 175.397 -0.203 19178 3718 1 9 . 1 1 97 97 ILE CA C 97 60.929 60.929 60.775 0.154 19178 3719 1 9 . 1 1 97 97 ILE CB C 97 39.044 39.044 39.398 -0.354 19178 3720 1 9 . 1 1 97 97 ILE H H 97 7.832 7.832 8.189 -0.357 19178 3721 1 9 . 1 1 98 98 ASP N N 98 125.070 125.070 127.672 -2.602 19178 3722 1 9 . 1 1 98 98 ASP HA H 98 4.627 4.627 4.731 -0.104 19178 3723 1 9 . 1 1 98 98 ASP C C 98 174.976 174.976 175.568 -0.592 19178 3724 1 9 . 1 1 98 98 ASP CA C 98 54.184 54.184 54.007 0.177 19178 3725 1 9 . 1 1 98 98 ASP CB C 98 41.502 41.502 40.984 0.518 19178 3726 1 9 . 1 1 98 98 ASP H H 98 8.245 8.245 8.412 -0.167 19178 3727 1 10 . 1 1 16 16 GLN HA H 16 4.330 4.330 4.238 0.092 19178 3728 1 10 . 1 1 17 17 GLU N N 17 119.126 119.126 119.019 0.107 19178 3729 1 10 . 1 1 17 17 GLU HA H 17 4.329 4.329 4.209 0.120 19178 3730 1 10 . 1 1 17 17 GLU H H 17 8.422 8.422 8.382 0.040 19178 3731 1 10 . 1 1 18 18 GLN N N 18 120.450 120.450 120.359 0.091 19178 3732 1 10 . 1 1 18 18 GLN HA H 18 4.081 4.081 4.074 0.007 19178 3733 1 10 . 1 1 18 18 GLN H H 18 8.729 8.729 8.190 0.539 19178 3734 1 10 . 1 1 19 19 TRP N N 19 121.902 121.902 120.911 0.991 19178 3735 1 10 . 1 1 19 19 TRP HA H 19 4.125 4.125 4.255 -0.130 19178 3736 1 10 . 1 1 19 19 TRP C C 19 179.400 179.400 177.215 2.185 19178 3737 1 10 . 1 1 19 19 TRP CA C 19 62.361 62.361 60.568 1.793 19178 3738 1 10 . 1 1 19 19 TRP CB C 19 29.938 29.938 29.115 0.823 19178 3739 1 10 . 1 1 19 19 TRP H H 19 8.561 8.561 8.101 0.460 19178 3740 1 10 . 1 1 20 20 ALA N N 20 122.759 122.759 121.286 1.473 19178 3741 1 10 . 1 1 20 20 ALA HA H 20 3.815 3.815 3.468 0.347 19178 3742 1 10 . 1 1 20 20 ALA C C 20 180.433 180.433 179.391 1.042 19178 3743 1 10 . 1 1 20 20 ALA CA C 20 55.619 55.619 54.342 1.277 19178 3744 1 10 . 1 1 20 20 ALA CB C 20 18.474 18.474 17.985 0.489 19178 3745 1 10 . 1 1 20 20 ALA H H 20 8.828 8.828 7.312 1.516 19178 3746 1 10 . 1 1 21 21 MET N N 21 117.474 117.474 117.368 0.106 19178 3747 1 10 . 1 1 21 21 MET HA H 21 4.479 4.479 4.020 0.459 19178 3748 1 10 . 1 1 21 21 MET C C 21 178.744 178.744 178.258 0.486 19178 3749 1 10 . 1 1 21 21 MET CA C 21 56.778 56.778 59.015 -2.237 19178 3750 1 10 . 1 1 21 21 MET CB C 21 29.956 29.956 32.423 -2.467 19178 3751 1 10 . 1 1 21 21 MET H H 21 8.702 8.702 8.177 0.525 19178 3752 1 10 . 1 1 22 22 GLN N N 22 119.738 119.738 118.296 1.442 19178 3753 1 10 . 1 1 22 22 GLN HA H 22 4.025 4.025 3.889 0.136 19178 3754 1 10 . 1 1 22 22 GLN C C 22 180.104 180.104 177.937 2.167 19178 3755 1 10 . 1 1 22 22 GLN CA C 22 58.872 58.872 59.502 -0.630 19178 3756 1 10 . 1 1 22 22 GLN CB C 22 27.880 27.880 27.806 0.073 19178 3757 1 10 . 1 1 22 22 GLN H H 22 8.531 8.531 7.554 0.977 19178 3758 1 10 . 1 1 23 23 THR N N 23 117.049 117.049 114.467 2.582 19178 3759 1 10 . 1 1 23 23 THR HA H 23 3.715 3.715 4.027 -0.312 19178 3760 1 10 . 1 1 23 23 THR C C 23 177.477 177.477 176.810 0.667 19178 3761 1 10 . 1 1 23 23 THR CA C 23 66.380 66.380 64.540 1.840 19178 3762 1 10 . 1 1 23 23 THR CB C 23 67.579 67.579 68.466 -0.887 19178 3763 1 10 . 1 1 23 23 THR H H 23 7.752 7.752 7.527 0.225 19178 3764 1 10 . 1 1 24 24 LEU N N 24 125.735 125.735 121.947 3.788 19178 3765 1 10 . 1 1 24 24 LEU HA H 24 3.731 3.731 3.910 -0.179 19178 3766 1 10 . 1 1 24 24 LEU C C 24 178.544 178.544 179.832 -1.288 19178 3767 1 10 . 1 1 24 24 LEU CA C 24 58.882 58.882 58.468 0.414 19178 3768 1 10 . 1 1 24 24 LEU CB C 24 41.550 41.550 41.904 -0.354 19178 3769 1 10 . 1 1 24 24 LEU H H 24 7.886 7.886 7.726 0.160 19178 3770 1 10 . 1 1 25 25 MET N N 25 118.622 118.622 116.398 2.224 19178 3771 1 10 . 1 1 25 25 MET HA H 25 4.717 4.717 4.583 0.134 19178 3772 1 10 . 1 1 25 25 MET C C 25 181.465 181.465 178.124 3.341 19178 3773 1 10 . 1 1 25 25 MET CA C 25 55.604 55.604 58.157 -2.553 19178 3774 1 10 . 1 1 25 25 MET CB C 25 32.071 32.071 32.720 -0.649 19178 3775 1 10 . 1 1 25 25 MET H H 25 8.619 8.619 8.438 0.181 19178 3776 1 10 . 1 1 26 26 GLY N N 26 110.755 110.755 107.761 2.994 19178 3777 1 10 . 1 1 26 26 GLY C C 26 174.662 174.662 175.578 -0.916 19178 3778 1 10 . 1 1 26 26 GLY CA C 26 46.788 46.788 46.371 0.417 19178 3779 1 10 . 1 1 26 26 GLY H H 26 8.953 8.953 8.084 0.869 19178 3780 1 10 . 1 1 27 27 SER N N 27 109.977 109.977 116.223 -6.246 19178 3781 1 10 . 1 1 27 27 SER HA H 27 4.422 4.422 4.185 0.237 19178 3782 1 10 . 1 1 27 27 SER C C 27 175.612 175.612 175.648 -0.036 19178 3783 1 10 . 1 1 27 27 SER CA C 27 58.309 58.309 59.675 -1.366 19178 3784 1 10 . 1 1 27 27 SER CB C 27 64.423 64.423 63.312 1.111 19178 3785 1 10 . 1 1 27 27 SER H H 27 7.335 7.335 7.642 -0.307 19178 3786 1 10 . 1 1 28 28 GLY N N 28 110.105 110.105 108.363 1.742 19178 3787 1 10 . 1 1 28 28 GLY C C 28 174.029 174.029 175.168 -1.139 19178 3788 1 10 . 1 1 28 28 GLY CA C 28 45.371 45.371 45.494 -0.123 19178 3789 1 10 . 1 1 28 28 GLY H H 28 7.536 7.536 7.852 -0.316 19178 3790 1 10 . 1 1 29 29 VAL N N 29 121.444 121.444 120.820 0.624 19178 3791 1 10 . 1 1 29 29 VAL HA H 29 4.720 4.720 3.900 0.820 19178 3792 1 10 . 1 1 29 29 VAL C C 29 177.149 177.149 176.256 0.893 19178 3793 1 10 . 1 1 29 29 VAL CA C 29 66.474 66.474 64.673 1.801 19178 3794 1 10 . 1 1 29 29 VAL CB C 29 32.694 32.694 32.397 0.297 19178 3795 1 10 . 1 1 29 29 VAL H H 29 7.738 7.738 7.543 0.195 19178 3796 1 10 . 1 1 30 30 LEU N N 30 115.594 115.594 116.858 -1.264 19178 3797 1 10 . 1 1 30 30 LEU HA H 30 5.349 5.349 4.265 1.084 19178 3798 1 10 . 1 1 30 30 LEU C C 30 174.427 174.427 174.952 -0.525 19178 3799 1 10 . 1 1 30 30 LEU CA C 30 52.231 52.231 53.655 -1.424 19178 3800 1 10 . 1 1 30 30 LEU CB C 30 43.525 43.525 43.728 -0.203 19178 3801 1 10 . 1 1 30 30 LEU H H 30 7.090 7.090 7.170 -0.080 19178 3802 1 10 . 1 1 31 31 ALA N N 31 122.020 122.020 120.940 1.080 19178 3803 1 10 . 1 1 31 31 ALA HA H 31 4.539 4.539 4.648 -0.109 19178 3804 1 10 . 1 1 31 31 ALA C C 31 175.130 175.130 175.413 -0.283 19178 3805 1 10 . 1 1 31 31 ALA CA C 31 50.963 50.963 50.797 0.166 19178 3806 1 10 . 1 1 31 31 ALA CB C 31 22.314 22.314 21.628 0.686 19178 3807 1 10 . 1 1 31 31 ALA H H 31 8.981 8.981 8.386 0.595 19178 3808 1 10 . 1 1 32 32 ARG N N 32 118.606 118.606 119.998 -1.392 19178 3809 1 10 . 1 1 32 32 ARG HA H 32 5.342 5.342 4.565 0.777 19178 3810 1 10 . 1 1 32 32 ARG C C 32 178.051 178.051 174.759 3.292 19178 3811 1 10 . 1 1 32 32 ARG CA C 32 54.543 54.543 53.853 0.690 19178 3812 1 10 . 1 1 32 32 ARG CB C 32 31.485 31.485 31.450 0.036 19178 3813 1 10 . 1 1 32 32 ARG H H 32 8.223 8.223 8.147 0.076 19178 3814 1 10 . 1 1 33 33 CYS N N 33 125.750 125.750 121.206 4.544 19178 3815 1 10 . 1 1 33 33 CYS HA H 33 4.117 4.117 4.509 -0.392 19178 3816 1 10 . 1 1 33 33 CYS C C 33 175.978 175.978 176.956 -0.978 19178 3817 1 10 . 1 1 33 33 CYS CA C 33 60.620 60.620 58.808 1.812 19178 3818 1 10 . 1 1 33 33 CYS CB C 33 27.213 27.213 29.070 -1.857 19178 3819 1 10 . 1 1 33 33 CYS H H 33 8.314 8.314 8.667 -0.353 19178 3820 1 10 . 1 1 34 34 ARG N N 34 128.053 128.053 126.447 1.606 19178 3821 1 10 . 1 1 34 34 ARG HA H 34 3.926 3.926 4.136 -0.210 19178 3822 1 10 . 1 1 34 34 ARG C C 34 176.565 176.565 175.795 0.770 19178 3823 1 10 . 1 1 34 34 ARG CA C 34 58.719 58.719 58.767 -0.048 19178 3824 1 10 . 1 1 34 34 ARG CB C 34 30.159 30.159 29.859 0.300 19178 3825 1 10 . 1 1 34 34 ARG H H 34 8.578 8.578 8.895 -0.317 19178 3826 1 10 . 1 1 35 35 ILE N N 35 122.502 122.502 117.134 5.368 19178 3827 1 10 . 1 1 35 35 ILE HA H 35 3.843 3.843 4.176 -0.333 19178 3828 1 10 . 1 1 35 35 ILE C C 35 176.028 176.028 175.195 0.833 19178 3829 1 10 . 1 1 35 35 ILE CA C 35 62.035 62.035 61.300 0.735 19178 3830 1 10 . 1 1 35 35 ILE CB C 35 39.125 39.125 38.446 0.679 19178 3831 1 10 . 1 1 35 35 ILE H H 35 8.932 8.932 7.639 1.293 19178 3832 1 10 . 1 1 36 36 HIS N N 36 121.974 121.974 114.897 7.077 19178 3833 1 10 . 1 1 36 36 HIS HA H 36 4.569 4.569 4.899 -0.330 19178 3834 1 10 . 1 1 36 36 HIS CB C 36 31.187 31.187 31.058 0.129 19178 3835 1 10 . 1 1 36 36 HIS H H 36 8.078 8.078 7.217 0.861 19178 3836 1 10 . 1 1 37 37 ASN N N 37 119.433 119.433 119.399 0.034 19178 3837 1 10 . 1 1 37 37 ASN HA H 37 4.399 4.399 4.711 -0.312 19178 3838 1 10 . 1 1 37 37 ASN C C 37 173.906 173.906 175.438 -1.532 19178 3839 1 10 . 1 1 37 37 ASN CA C 37 56.407 56.407 53.536 2.871 19178 3840 1 10 . 1 1 37 37 ASN CB C 37 39.331 39.331 39.097 0.234 19178 3841 1 10 . 1 1 37 37 ASN H H 37 8.386 8.386 8.575 -0.189 19178 3842 1 10 . 1 1 38 38 ASP N N 38 112.673 112.673 118.739 -6.066 19178 3843 1 10 . 1 1 38 38 ASP HA H 38 4.385 4.385 4.645 -0.260 19178 3844 1 10 . 1 1 38 38 ASP C C 38 175.841 175.841 175.199 0.642 19178 3845 1 10 . 1 1 38 38 ASP CA C 38 53.983 53.983 55.060 -1.077 19178 3846 1 10 . 1 1 38 38 ASP CB C 38 40.263 40.263 40.649 -0.386 19178 3847 1 10 . 1 1 38 38 ASP H H 38 8.880 8.880 8.565 0.315 19178 3848 1 10 . 1 1 39 39 VAL N N 39 124.385 124.385 117.189 7.196 19178 3849 1 10 . 1 1 39 39 VAL HA H 39 3.944 3.944 4.106 -0.162 19178 3850 1 10 . 1 1 39 39 VAL C C 39 173.731 173.731 174.949 -1.218 19178 3851 1 10 . 1 1 39 39 VAL CA C 39 63.514 63.514 61.092 2.422 19178 3852 1 10 . 1 1 39 39 VAL CB C 39 32.408 32.408 33.633 -1.225 19178 3853 1 10 . 1 1 39 39 VAL H H 39 8.253 8.253 7.728 0.525 19178 3854 1 10 . 1 1 40 40 ILE N N 40 128.130 128.130 124.300 3.830 19178 3855 1 10 . 1 1 40 40 ILE HA H 40 4.222 4.222 4.123 0.099 19178 3856 1 10 . 1 1 40 40 ILE C C 40 174.090 174.090 173.758 0.332 19178 3857 1 10 . 1 1 40 40 ILE CA C 40 60.635 60.635 59.636 0.999 19178 3858 1 10 . 1 1 40 40 ILE CB C 40 38.281 38.281 39.335 -1.054 19178 3859 1 10 . 1 1 40 40 ILE H H 40 7.836 7.836 7.671 0.165 19178 3860 1 10 . 1 1 41 41 LEU N N 41 124.924 124.924 127.320 -2.396 19178 3861 1 10 . 1 1 41 41 LEU HA H 41 4.884 4.884 4.696 0.188 19178 3862 1 10 . 1 1 41 41 LEU C C 41 175.989 175.989 175.125 0.864 19178 3863 1 10 . 1 1 41 41 LEU CA C 41 52.654 52.654 52.932 -0.278 19178 3864 1 10 . 1 1 41 41 LEU CB C 41 45.122 45.122 45.457 -0.335 19178 3865 1 10 . 1 1 41 41 LEU H H 41 8.836 8.836 8.560 0.276 19178 3866 1 10 . 1 1 42 42 ASP N N 42 119.247 119.247 120.767 -1.520 19178 3867 1 10 . 1 1 42 42 ASP HA H 42 4.858 4.858 4.912 -0.054 19178 3868 1 10 . 1 1 42 42 ASP C C 42 176.128 176.128 175.499 0.629 19178 3869 1 10 . 1 1 42 42 ASP CA C 42 53.328 53.328 54.673 -1.345 19178 3870 1 10 . 1 1 42 42 ASP CB C 42 41.408 41.408 42.611 -1.203 19178 3871 1 10 . 1 1 42 42 ASP H H 42 8.725 8.725 8.530 0.195 19178 3872 1 10 . 1 1 43 43 SER N N 43 123.344 123.344 119.871 3.473 19178 3873 1 10 . 1 1 43 43 SER HA H 43 4.178 4.178 4.591 -0.413 19178 3874 1 10 . 1 1 43 43 SER C C 43 176.291 176.291 175.381 0.910 19178 3875 1 10 . 1 1 43 43 SER CA C 43 60.431 60.431 58.490 1.941 19178 3876 1 10 . 1 1 43 43 SER CB C 43 64.943 64.943 64.753 0.190 19178 3877 1 10 . 1 1 43 43 SER H H 43 8.462 8.462 8.550 -0.088 19178 3878 1 10 . 1 1 44 44 GLY N N 44 112.184 112.184 109.761 2.423 19178 3879 1 10 . 1 1 44 44 GLY C C 44 174.525 174.525 173.788 0.737 19178 3880 1 10 . 1 1 44 44 GLY CA C 44 45.368 45.368 45.004 0.364 19178 3881 1 10 . 1 1 44 44 GLY H H 44 9.230 9.230 8.432 0.798 19178 3882 1 10 . 1 1 45 45 ASN N N 45 119.774 119.774 117.686 2.088 19178 3883 1 10 . 1 1 45 45 ASN HA H 45 4.681 4.681 4.891 -0.210 19178 3884 1 10 . 1 1 45 45 ASN C C 45 174.866 174.866 173.564 1.302 19178 3885 1 10 . 1 1 45 45 ASN CA C 45 52.807 52.807 52.034 0.773 19178 3886 1 10 . 1 1 45 45 ASN CB C 45 39.241 39.241 41.241 -2.000 19178 3887 1 10 . 1 1 45 45 ASN H H 45 8.486 8.486 8.012 0.474 19178 3888 1 10 . 1 1 46 46 ASP N N 46 120.223 120.223 120.347 -0.124 19178 3889 1 10 . 1 1 46 46 ASP HA H 46 4.367 4.367 4.384 -0.017 19178 3890 1 10 . 1 1 46 46 ASP C C 46 177.272 177.272 176.370 0.902 19178 3891 1 10 . 1 1 46 46 ASP CA C 46 54.869 54.869 55.113 -0.244 19178 3892 1 10 . 1 1 46 46 ASP CB C 46 42.461 42.461 40.695 1.766 19178 3893 1 10 . 1 1 46 46 ASP H H 46 8.387 8.387 8.656 -0.269 19178 3894 1 10 . 1 1 47 47 ALA N N 47 126.587 126.587 129.855 -3.268 19178 3895 1 10 . 1 1 47 47 ALA HA H 47 3.741 3.741 3.849 -0.108 19178 3896 1 10 . 1 1 47 47 ALA C C 47 177.980 177.980 177.424 0.556 19178 3897 1 10 . 1 1 47 47 ALA CA C 47 53.866 53.866 53.462 0.404 19178 3898 1 10 . 1 1 47 47 ALA CB C 47 16.554 16.554 18.452 -1.898 19178 3899 1 10 . 1 1 47 47 ALA H H 47 8.747 8.747 8.124 0.623 19178 3900 1 10 . 1 1 48 48 SER N N 48 115.463 115.463 114.424 1.039 19178 3901 1 10 . 1 1 48 48 SER HA H 48 4.203 4.203 3.955 0.248 19178 3902 1 10 . 1 1 48 48 SER CA C 48 61.994 61.994 62.043 -0.049 19178 3903 1 10 . 1 1 48 48 SER H H 48 8.973 8.973 8.009 0.964 19178 3904 1 10 . 1 1 49 49 SER C C 49 176.587 176.587 175.790 0.797 19178 3905 1 10 . 1 1 49 49 SER CA C 49 62.279 62.279 61.101 1.178 19178 3906 1 10 . 1 1 50 50 ALA N N 50 125.775 125.775 124.467 1.308 19178 3907 1 10 . 1 1 50 50 ALA HA H 50 4.076 4.076 4.177 -0.101 19178 3908 1 10 . 1 1 50 50 ALA C C 50 179.125 179.125 180.479 -1.354 19178 3909 1 10 . 1 1 50 50 ALA CA C 50 54.822 54.822 55.010 -0.188 19178 3910 1 10 . 1 1 50 50 ALA CB C 50 18.834 18.834 18.331 0.503 19178 3911 1 10 . 1 1 50 50 ALA H H 50 7.620 7.620 7.748 -0.128 19178 3912 1 10 . 1 1 51 51 TYR N N 51 117.562 117.562 117.298 0.264 19178 3913 1 10 . 1 1 51 51 TYR HA H 51 4.275 4.275 4.304 -0.029 19178 3914 1 10 . 1 1 51 51 TYR C C 51 179.622 179.622 178.322 1.300 19178 3915 1 10 . 1 1 51 51 TYR CA C 51 60.966 60.966 58.100 2.866 19178 3916 1 10 . 1 1 51 51 TYR CB C 51 36.803 36.803 37.101 -0.298 19178 3917 1 10 . 1 1 51 51 TYR H H 51 7.397 7.397 8.350 -0.953 19178 3918 1 10 . 1 1 52 52 LYS N N 52 121.441 121.441 122.443 -1.002 19178 3919 1 10 . 1 1 52 52 LYS HA H 52 4.103 4.103 4.175 -0.072 19178 3920 1 10 . 1 1 52 52 LYS C C 52 179.041 179.041 178.996 0.045 19178 3921 1 10 . 1 1 52 52 LYS CA C 52 59.827 59.827 59.765 0.062 19178 3922 1 10 . 1 1 52 52 LYS H H 52 8.332 8.332 8.085 0.247 19178 3923 1 10 . 1 1 53 53 LEU N N 53 122.286 122.286 117.907 4.379 19178 3924 1 10 . 1 1 53 53 LEU HA H 53 4.376 4.376 4.399 -0.023 19178 3925 1 10 . 1 1 53 53 LEU C C 53 178.373 178.373 179.008 -0.635 19178 3926 1 10 . 1 1 53 53 LEU CA C 53 57.863 57.863 57.868 -0.005 19178 3927 1 10 . 1 1 53 53 LEU CB C 53 41.288 41.288 41.150 0.138 19178 3928 1 10 . 1 1 53 53 LEU H H 53 7.671 7.671 8.513 -0.842 19178 3929 1 10 . 1 1 54 54 GLY N N 54 127.824 127.824 108.085 19.739 19178 3930 1 10 . 1 1 54 54 GLY C C 54 174.865 174.865 175.918 -1.053 19178 3931 1 10 . 1 1 54 54 GLY CA C 54 47.971 47.971 47.551 0.420 19178 3932 1 10 . 1 1 54 54 GLY H H 54 9.020 9.020 8.758 0.262 19178 3933 1 10 . 1 1 55 55 THR N N 55 117.961 117.961 117.288 0.673 19178 3934 1 10 . 1 1 55 55 THR HA H 55 4.445 4.445 4.235 0.210 19178 3935 1 10 . 1 1 55 55 THR C C 55 175.188 175.188 176.082 -0.894 19178 3936 1 10 . 1 1 55 55 THR CA C 55 67.593 67.593 66.797 0.796 19178 3937 1 10 . 1 1 55 55 THR H H 55 8.123 8.123 8.542 -0.419 19178 3938 1 10 . 1 1 56 56 TYR N N 56 122.294 122.294 124.733 -2.439 19178 3939 1 10 . 1 1 56 56 TYR HA H 56 4.346 4.346 4.323 0.023 19178 3940 1 10 . 1 1 56 56 TYR C C 56 177.909 177.909 177.422 0.487 19178 3941 1 10 . 1 1 56 56 TYR CA C 56 61.147 61.147 61.776 -0.629 19178 3942 1 10 . 1 1 56 56 TYR CB C 56 37.981 37.981 38.210 -0.229 19178 3943 1 10 . 1 1 56 56 TYR H H 56 7.697 7.697 8.215 -0.518 19178 3944 1 10 . 1 1 57 57 LEU N N 57 118.703 118.703 118.414 0.289 19178 3945 1 10 . 1 1 57 57 LEU HA H 57 3.914 3.914 3.654 0.260 19178 3946 1 10 . 1 1 57 57 LEU C C 57 180.087 180.087 178.924 1.163 19178 3947 1 10 . 1 1 57 57 LEU CA C 57 57.780 57.780 57.393 0.387 19178 3948 1 10 . 1 1 57 57 LEU CB C 57 42.026 42.026 42.002 0.024 19178 3949 1 10 . 1 1 57 57 LEU H H 57 8.909 8.909 7.819 1.090 19178 3950 1 10 . 1 1 58 58 TYR N N 58 120.667 120.667 117.759 2.908 19178 3951 1 10 . 1 1 58 58 TYR HA H 58 4.209 4.209 4.188 0.021 19178 3952 1 10 . 1 1 58 58 TYR C C 58 177.511 177.511 176.417 1.094 19178 3953 1 10 . 1 1 58 58 TYR CA C 58 61.641 61.641 60.394 1.247 19178 3954 1 10 . 1 1 58 58 TYR H H 58 8.971 8.971 7.982 0.989 19178 3955 1 10 . 1 1 59 59 GLN N N 59 119.344 119.344 115.414 3.930 19178 3956 1 10 . 1 1 59 59 GLN HA H 59 4.668 4.668 4.580 0.088 19178 3957 1 10 . 1 1 59 59 GLN C C 59 179.270 179.270 174.050 5.220 19178 3958 1 10 . 1 1 59 59 GLN H H 59 8.378 8.378 8.124 0.254 19178 3959 1 10 . 1 1 67 67 PHE HA H 67 4.852 4.852 4.680 0.172 19178 3960 1 10 . 1 1 67 67 PHE C C 67 175.889 175.889 175.820 0.069 19178 3961 1 10 . 1 1 67 67 PHE CA C 67 55.576 55.576 58.782 -3.207 19178 3962 1 10 . 1 1 67 67 PHE CB C 67 42.444 42.444 39.489 2.954 19178 3963 1 10 . 1 1 68 68 ASN N N 68 120.775 120.775 118.151 2.624 19178 3964 1 10 . 1 1 68 68 ASN C C 68 175.338 175.338 174.506 0.832 19178 3965 1 10 . 1 1 68 68 ASN CA C 68 55.092 55.092 52.785 2.307 19178 3966 1 10 . 1 1 68 68 ASN CB C 68 40.006 40.006 39.593 0.413 19178 3967 1 10 . 1 1 68 68 ASN H H 68 9.560 9.560 7.930 1.630 19178 3968 1 10 . 1 1 69 69 THR N N 69 127.914 127.914 112.743 15.171 19178 3969 1 10 . 1 1 69 69 THR HA H 69 4.732 4.732 4.753 -0.021 19178 3970 1 10 . 1 1 69 69 THR C C 69 173.530 173.530 174.941 -1.411 19178 3971 1 10 . 1 1 69 69 THR CA C 69 58.877 58.877 60.687 -1.810 19178 3972 1 10 . 1 1 69 69 THR CB C 69 73.620 73.620 71.228 2.393 19178 3973 1 10 . 1 1 69 69 THR H H 69 7.237 7.237 8.323 -1.086 19178 3974 1 10 . 1 1 70 70 LEU N N 70 122.013 122.013 125.623 -3.610 19178 3975 1 10 . 1 1 70 70 LEU HA H 70 3.005 3.005 4.198 -1.193 19178 3976 1 10 . 1 1 70 70 LEU C C 70 178.252 178.252 178.179 0.073 19178 3977 1 10 . 1 1 70 70 LEU CA C 70 56.721 56.721 57.024 -0.303 19178 3978 1 10 . 1 1 70 70 LEU CB C 70 41.199 41.199 41.647 -0.448 19178 3979 1 10 . 1 1 70 70 LEU H H 70 8.614 8.614 8.628 -0.014 19178 3980 1 10 . 1 1 71 71 THR N N 71 114.041 114.041 114.451 -0.410 19178 3981 1 10 . 1 1 71 71 THR HA H 71 3.620 3.620 3.826 -0.206 19178 3982 1 10 . 1 1 71 71 THR C C 71 175.400 175.400 176.261 -0.861 19178 3983 1 10 . 1 1 71 71 THR CA C 71 66.405 66.405 67.561 -1.156 19178 3984 1 10 . 1 1 71 71 THR CB C 71 68.517 68.517 68.471 0.046 19178 3985 1 10 . 1 1 71 71 THR H H 71 7.694 7.694 8.427 -0.733 19178 3986 1 10 . 1 1 72 72 GLU N N 72 120.141 120.141 120.891 -0.750 19178 3987 1 10 . 1 1 72 72 GLU HA H 72 3.997 3.997 3.895 0.102 19178 3988 1 10 . 1 1 72 72 GLU C C 72 178.982 178.982 178.386 0.596 19178 3989 1 10 . 1 1 72 72 GLU CA C 72 59.250 59.250 59.687 -0.437 19178 3990 1 10 . 1 1 72 72 GLU CB C 72 30.907 30.907 29.363 1.544 19178 3991 1 10 . 1 1 72 72 GLU H H 72 7.514 7.514 7.599 -0.085 19178 3992 1 10 . 1 1 73 73 ALA N N 73 123.400 123.400 122.034 1.366 19178 3993 1 10 . 1 1 73 73 ALA HA H 73 2.167 2.167 3.695 -1.528 19178 3994 1 10 . 1 1 73 73 ALA C C 73 178.959 178.959 179.226 -0.267 19178 3995 1 10 . 1 1 73 73 ALA CA C 73 54.323 54.323 54.641 -0.318 19178 3996 1 10 . 1 1 73 73 ALA CB C 73 17.561 17.561 17.606 -0.045 19178 3997 1 10 . 1 1 73 73 ALA H H 73 6.788 6.788 7.441 -0.653 19178 3998 1 10 . 1 1 74 74 ARG N N 74 116.272 116.272 119.053 -2.781 19178 3999 1 10 . 1 1 74 74 ARG HA H 74 3.887 3.887 3.691 0.196 19178 4000 1 10 . 1 1 74 74 ARG C C 74 179.230 179.230 178.004 1.226 19178 4001 1 10 . 1 1 74 74 ARG CA C 74 60.442 60.442 59.449 0.993 19178 4002 1 10 . 1 1 74 74 ARG CB C 74 29.878 29.878 30.017 -0.139 19178 4003 1 10 . 1 1 74 74 ARG H H 74 8.145 8.145 8.157 -0.012 19178 4004 1 10 . 1 1 75 75 ASP N N 75 120.487 120.487 118.556 1.931 19178 4005 1 10 . 1 1 75 75 ASP HA H 75 4.446 4.446 4.417 0.029 19178 4006 1 10 . 1 1 75 75 ASP C C 75 178.040 178.040 178.173 -0.133 19178 4007 1 10 . 1 1 75 75 ASP CA C 75 57.166 57.166 56.913 0.253 19178 4008 1 10 . 1 1 75 75 ASP CB C 75 39.687 39.687 41.041 -1.353 19178 4009 1 10 . 1 1 75 75 ASP H H 75 8.594 8.594 8.094 0.500 19178 4010 1 10 . 1 1 76 76 ALA N N 76 122.773 122.773 123.493 -0.720 19178 4011 1 10 . 1 1 76 76 ALA HA H 76 4.345 4.345 3.996 0.349 19178 4012 1 10 . 1 1 76 76 ALA C C 76 181.221 181.221 179.766 1.455 19178 4013 1 10 . 1 1 76 76 ALA CA C 76 55.245 55.245 55.193 0.052 19178 4014 1 10 . 1 1 76 76 ALA CB C 76 18.316 18.316 18.489 -0.173 19178 4015 1 10 . 1 1 76 76 ALA H H 76 7.668 7.668 8.028 -0.360 19178 4016 1 10 . 1 1 77 77 ILE N N 77 120.254 120.254 118.846 1.408 19178 4017 1 10 . 1 1 77 77 ILE HA H 77 3.632 3.632 3.740 -0.108 19178 4018 1 10 . 1 1 77 77 ILE C C 77 176.567 176.567 177.874 -1.307 19178 4019 1 10 . 1 1 77 77 ILE CA C 77 66.365 66.365 65.662 0.703 19178 4020 1 10 . 1 1 77 77 ILE CB C 77 37.947 37.947 37.731 0.216 19178 4021 1 10 . 1 1 77 77 ILE H H 77 7.724 7.724 8.538 -0.814 19178 4022 1 10 . 1 1 78 78 LYS N N 78 122.773 122.773 120.032 2.741 19178 4023 1 10 . 1 1 78 78 LYS HA H 78 4.265 4.265 3.793 0.472 19178 4024 1 10 . 1 1 78 78 LYS C C 78 178.382 178.382 178.614 -0.232 19178 4025 1 10 . 1 1 78 78 LYS CA C 78 60.442 60.442 59.249 1.193 19178 4026 1 10 . 1 1 78 78 LYS CB C 78 33.021 33.021 31.730 1.291 19178 4027 1 10 . 1 1 78 78 LYS H H 78 8.465 8.465 7.995 0.470 19178 4028 1 10 . 1 1 79 79 ASP N N 79 118.165 118.165 119.020 -0.855 19178 4029 1 10 . 1 1 79 79 ASP HA H 79 4.353 4.353 4.482 -0.129 19178 4030 1 10 . 1 1 79 79 ASP C C 79 179.289 179.289 178.179 1.110 19178 4031 1 10 . 1 1 79 79 ASP CA C 79 57.245 57.245 57.143 0.102 19178 4032 1 10 . 1 1 79 79 ASP H H 79 8.541 8.541 8.247 0.294 19178 4033 1 10 . 1 1 80 80 ALA N N 80 122.362 122.362 122.880 -0.518 19178 4034 1 10 . 1 1 80 80 ALA HA H 80 4.340 4.340 4.221 0.119 19178 4035 1 10 . 1 1 80 80 ALA C C 80 179.265 179.265 180.185 -0.920 19178 4036 1 10 . 1 1 80 80 ALA CA C 80 54.979 54.979 55.209 -0.230 19178 4037 1 10 . 1 1 80 80 ALA CB C 80 18.254 18.254 18.405 -0.151 19178 4038 1 10 . 1 1 80 80 ALA H H 80 7.727 7.727 7.852 -0.125 19178 4039 1 10 . 1 1 81 81 TYR N N 81 118.882 118.882 118.622 0.260 19178 4040 1 10 . 1 1 81 81 TYR HA H 81 4.115 4.115 4.355 -0.240 19178 4041 1 10 . 1 1 81 81 TYR C C 81 178.146 178.146 178.727 -0.581 19178 4042 1 10 . 1 1 81 81 TYR CA C 81 61.635 61.635 60.721 0.914 19178 4043 1 10 . 1 1 81 81 TYR CB C 81 38.115 38.115 38.131 -0.016 19178 4044 1 10 . 1 1 81 81 TYR H H 81 9.037 9.037 9.213 -0.176 19178 4045 1 10 . 1 1 82 82 GLU N N 82 116.630 116.630 118.198 -1.568 19178 4046 1 10 . 1 1 82 82 GLU HA H 82 3.816 3.816 4.118 -0.302 19178 4047 1 10 . 1 1 82 82 GLU C C 82 178.664 178.664 178.574 0.090 19178 4048 1 10 . 1 1 82 82 GLU CA C 82 59.304 59.304 58.099 1.204 19178 4049 1 10 . 1 1 82 82 GLU CB C 82 28.848 28.848 29.118 -0.270 19178 4050 1 10 . 1 1 82 82 GLU H H 82 8.854 8.854 8.097 0.757 19178 4051 1 10 . 1 1 83 83 SER N N 83 114.004 114.004 114.784 -0.780 19178 4052 1 10 . 1 1 83 83 SER HA H 83 4.164 4.164 4.268 -0.104 19178 4053 1 10 . 1 1 83 83 SER C C 83 174.387 174.387 176.024 -1.637 19178 4054 1 10 . 1 1 83 83 SER CA C 83 61.038 61.038 60.968 0.070 19178 4055 1 10 . 1 1 83 83 SER CB C 83 63.152 63.152 63.330 -0.177 19178 4056 1 10 . 1 1 83 83 SER H H 83 7.573 7.573 8.281 -0.708 19178 4057 1 10 . 1 1 84 84 TYR N N 84 117.323 117.323 118.190 -0.867 19178 4058 1 10 . 1 1 84 84 TYR HA H 84 4.595 4.595 4.670 -0.075 19178 4059 1 10 . 1 1 84 84 TYR C C 84 174.434 174.434 175.381 -0.947 19178 4060 1 10 . 1 1 84 84 TYR CA C 84 58.871 58.871 57.632 1.240 19178 4061 1 10 . 1 1 84 84 TYR CB C 84 41.746 41.746 39.210 2.536 19178 4062 1 10 . 1 1 84 84 TYR H H 84 7.319 7.319 8.231 -0.912 19178 4063 1 10 . 1 1 85 85 CYS N N 85 118.762 118.762 119.116 -0.354 19178 4064 1 10 . 1 1 85 85 CYS HA H 85 3.940 3.940 4.240 -0.300 19178 4065 1 10 . 1 1 85 85 CYS C C 85 176.178 176.178 176.576 -0.398 19178 4066 1 10 . 1 1 85 85 CYS CA C 85 58.817 58.817 61.738 -2.921 19178 4067 1 10 . 1 1 85 85 CYS CB C 85 26.042 26.042 28.597 -2.555 19178 4068 1 10 . 1 1 85 85 CYS H H 85 7.670 7.670 8.094 -0.424 19178 4069 1 10 . 1 1 86 86 GLY N N 86 113.730 113.730 115.570 -1.840 19178 4070 1 10 . 1 1 86 86 GLY C C 86 174.587 174.587 173.198 1.389 19178 4071 1 10 . 1 1 86 86 GLY CA C 86 45.214 45.214 45.057 0.157 19178 4072 1 10 . 1 1 86 86 GLY H H 86 10.799 10.799 8.796 2.003 19178 4073 1 10 . 1 1 87 87 ILE N N 87 122.743 122.743 118.165 4.578 19178 4074 1 10 . 1 1 87 87 ILE HA H 87 4.291 4.291 4.666 -0.375 19178 4075 1 10 . 1 1 87 87 ILE C C 87 174.340 174.340 173.939 0.401 19178 4076 1 10 . 1 1 87 87 ILE CA C 87 60.968 60.968 59.419 1.549 19178 4077 1 10 . 1 1 87 87 ILE CB C 87 35.512 35.512 39.310 -3.798 19178 4078 1 10 . 1 1 87 87 ILE H H 87 8.023 8.023 7.342 0.681 19178 4079 1 10 . 1 1 88 88 ASP N N 88 125.059 125.059 126.087 -1.028 19178 4080 1 10 . 1 1 88 88 ASP HA H 88 4.750 4.750 5.105 -0.355 19178 4081 1 10 . 1 1 88 88 ASP C C 88 175.895 175.895 176.280 -0.385 19178 4082 1 10 . 1 1 88 88 ASP CA C 88 54.319 54.319 53.698 0.621 19178 4083 1 10 . 1 1 88 88 ASP CB C 88 41.692 41.692 41.773 -0.081 19178 4084 1 10 . 1 1 88 88 ASP H H 88 8.127 8.127 8.845 -0.718 19178 4085 1 10 . 1 1 89 89 ASP N N 89 117.971 117.971 118.200 -0.229 19178 4086 1 10 . 1 1 89 89 ASP HA H 89 4.822 4.822 4.653 0.169 19178 4087 1 10 . 1 1 89 89 ASP C C 89 174.069 174.069 175.225 -1.156 19178 4088 1 10 . 1 1 89 89 ASP CA C 89 52.369 52.369 53.030 -0.661 19178 4089 1 10 . 1 1 89 89 ASP CB C 89 43.625 43.625 43.814 -0.189 19178 4090 1 10 . 1 1 89 89 ASP H H 89 7.617 7.617 7.815 -0.198 19178 4091 1 10 . 1 1 90 90 CYS N N 90 126.238 126.238 123.240 2.998 19178 4092 1 10 . 1 1 90 90 CYS C C 90 175.636 175.636 175.397 0.239 19178 4093 1 10 . 1 1 90 90 CYS CA C 90 56.215 56.215 57.232 -1.017 19178 4094 1 10 . 1 1 90 90 CYS H H 90 8.936 8.936 8.524 0.412 19178 4095 1 10 . 1 1 91 91 PRO HA H 91 4.460 4.460 4.400 0.060 19178 4096 1 10 . 1 1 91 91 PRO C C 91 178.629 178.629 178.059 0.570 19178 4097 1 10 . 1 1 91 91 PRO CA C 91 64.614 64.614 65.101 -0.487 19178 4098 1 10 . 1 1 91 91 PRO CB C 91 32.208 32.208 31.775 0.433 19178 4099 1 10 . 1 1 92 92 GLN N N 92 119.363 119.363 118.800 0.563 19178 4100 1 10 . 1 1 92 92 GLN HA H 92 4.060 4.060 4.172 -0.112 19178 4101 1 10 . 1 1 92 92 GLN C C 92 178.181 178.181 178.386 -0.205 19178 4102 1 10 . 1 1 92 92 GLN CA C 92 57.837 57.837 58.899 -1.062 19178 4103 1 10 . 1 1 92 92 GLN CB C 92 28.252 28.252 27.864 0.388 19178 4104 1 10 . 1 1 92 92 GLN H H 92 8.253 8.253 8.772 -0.519 19178 4105 1 10 . 1 1 93 93 CYS N N 93 124.725 124.725 114.642 10.083 19178 4106 1 10 . 1 1 93 93 CYS HA H 93 4.269 4.269 4.500 -0.231 19178 4107 1 10 . 1 1 93 93 CYS C C 93 177.180 177.180 175.700 1.480 19178 4108 1 10 . 1 1 93 93 CYS CA C 93 64.366 64.366 61.257 3.109 19178 4109 1 10 . 1 1 93 93 CYS CB C 93 30.379 30.379 26.652 3.727 19178 4110 1 10 . 1 1 93 93 CYS H H 93 8.581 8.581 7.825 0.756 19178 4111 1 10 . 1 1 94 94 SER N N 94 113.467 113.467 111.774 1.693 19178 4112 1 10 . 1 1 94 94 SER HA H 94 4.277 4.277 4.374 -0.097 19178 4113 1 10 . 1 1 94 94 SER C C 94 174.481 174.481 175.907 -1.426 19178 4114 1 10 . 1 1 94 94 SER CA C 94 59.432 59.432 60.036 -0.604 19178 4115 1 10 . 1 1 94 94 SER CB C 94 63.217 63.217 63.176 0.041 19178 4116 1 10 . 1 1 94 94 SER H H 94 7.753 7.753 7.870 -0.117 19178 4117 1 10 . 1 1 95 95 LYS N N 95 121.369 121.369 119.713 1.656 19178 4118 1 10 . 1 1 95 95 LYS HA H 95 4.211 4.211 4.408 -0.197 19178 4119 1 10 . 1 1 95 95 LYS C C 95 176.237 176.237 176.087 0.150 19178 4120 1 10 . 1 1 95 95 LYS CA C 95 56.622 56.622 57.086 -0.464 19178 4121 1 10 . 1 1 95 95 LYS CB C 95 32.756 32.756 34.213 -1.457 19178 4122 1 10 . 1 1 95 95 LYS H H 95 7.520 7.520 7.976 -0.456 19178 4123 1 10 . 1 1 96 96 TYR N N 96 121.000 121.000 119.397 1.603 19178 4124 1 10 . 1 1 96 96 TYR HA H 96 4.559 4.559 4.702 -0.143 19178 4125 1 10 . 1 1 96 96 TYR C C 96 175.577 175.577 174.340 1.237 19178 4126 1 10 . 1 1 96 96 TYR CA C 96 58.039 58.039 57.019 1.020 19178 4127 1 10 . 1 1 96 96 TYR CB C 96 38.694 38.694 41.339 -2.645 19178 4128 1 10 . 1 1 96 96 TYR H H 96 8.005 8.005 7.840 0.165 19178 4129 1 10 . 1 1 97 97 ILE N N 97 123.003 123.003 120.217 2.786 19178 4130 1 10 . 1 1 97 97 ILE HA H 97 4.120 4.120 3.883 0.237 19178 4131 1 10 . 1 1 97 97 ILE C C 97 175.194 175.194 175.422 -0.228 19178 4132 1 10 . 1 1 97 97 ILE CA C 97 60.929 60.929 61.719 -0.790 19178 4133 1 10 . 1 1 97 97 ILE CB C 97 39.044 39.044 38.340 0.704 19178 4134 1 10 . 1 1 97 97 ILE H H 97 7.832 7.832 7.162 0.670 19178 4135 1 10 . 1 1 98 98 ASP N N 98 125.070 125.070 125.027 0.043 19178 4136 1 10 . 1 1 98 98 ASP HA H 98 4.627 4.627 4.744 -0.117 19178 4137 1 10 . 1 1 98 98 ASP C C 98 174.976 174.976 175.577 -0.601 19178 4138 1 10 . 1 1 98 98 ASP CA C 98 54.184 54.184 53.231 0.953 19178 4139 1 10 . 1 1 98 98 ASP CB C 98 41.502 41.502 41.087 0.415 19178 4140 1 10 . 1 1 98 98 ASP H H 98 8.245 8.245 8.295 -0.050 19178 4141 1 11 . 1 1 16 16 GLN HA H 16 4.330 4.330 4.246 0.084 19178 4142 1 11 . 1 1 17 17 GLU N N 17 119.126 119.126 120.294 -1.168 19178 4143 1 11 . 1 1 17 17 GLU HA H 17 4.329 4.329 4.247 0.082 19178 4144 1 11 . 1 1 17 17 GLU H H 17 8.422 8.422 8.764 -0.342 19178 4145 1 11 . 1 1 18 18 GLN N N 18 120.450 120.450 118.102 2.348 19178 4146 1 11 . 1 1 18 18 GLN HA H 18 4.081 4.081 4.161 -0.080 19178 4147 1 11 . 1 1 18 18 GLN H H 18 8.729 8.729 8.809 -0.080 19178 4148 1 11 . 1 1 19 19 TRP N N 19 121.902 121.902 120.236 1.666 19178 4149 1 11 . 1 1 19 19 TRP HA H 19 4.125 4.125 4.365 -0.240 19178 4150 1 11 . 1 1 19 19 TRP C C 19 179.400 179.400 178.060 1.340 19178 4151 1 11 . 1 1 19 19 TRP CA C 19 62.361 62.361 59.906 2.455 19178 4152 1 11 . 1 1 19 19 TRP CB C 19 29.938 29.938 29.339 0.599 19178 4153 1 11 . 1 1 19 19 TRP H H 19 8.561 8.561 7.453 1.108 19178 4154 1 11 . 1 1 20 20 ALA N N 20 122.759 122.759 124.397 -1.638 19178 4155 1 11 . 1 1 20 20 ALA HA H 20 3.815 3.815 3.418 0.397 19178 4156 1 11 . 1 1 20 20 ALA C C 20 180.433 180.433 179.005 1.428 19178 4157 1 11 . 1 1 20 20 ALA CA C 20 55.619 55.619 54.225 1.394 19178 4158 1 11 . 1 1 20 20 ALA CB C 20 18.474 18.474 17.984 0.490 19178 4159 1 11 . 1 1 20 20 ALA H H 20 8.828 8.828 8.417 0.411 19178 4160 1 11 . 1 1 21 21 MET N N 21 117.474 117.474 117.569 -0.095 19178 4161 1 11 . 1 1 21 21 MET HA H 21 4.479 4.479 3.961 0.518 19178 4162 1 11 . 1 1 21 21 MET C C 21 178.744 178.744 177.984 0.760 19178 4163 1 11 . 1 1 21 21 MET CA C 21 56.778 56.778 58.210 -1.432 19178 4164 1 11 . 1 1 21 21 MET CB C 21 29.956 29.956 32.373 -2.417 19178 4165 1 11 . 1 1 21 21 MET H H 21 8.702 8.702 7.841 0.861 19178 4166 1 11 . 1 1 22 22 GLN N N 22 119.738 119.738 118.991 0.747 19178 4167 1 11 . 1 1 22 22 GLN HA H 22 4.025 4.025 3.736 0.289 19178 4168 1 11 . 1 1 22 22 GLN C C 22 180.104 180.104 177.874 2.230 19178 4169 1 11 . 1 1 22 22 GLN CA C 22 58.872 58.872 59.125 -0.253 19178 4170 1 11 . 1 1 22 22 GLN CB C 22 27.880 27.880 27.330 0.550 19178 4171 1 11 . 1 1 22 22 GLN H H 22 8.531 8.531 8.408 0.123 19178 4172 1 11 . 1 1 23 23 THR N N 23 117.049 117.049 115.861 1.188 19178 4173 1 11 . 1 1 23 23 THR HA H 23 3.715 3.715 4.035 -0.320 19178 4174 1 11 . 1 1 23 23 THR C C 23 177.477 177.477 176.458 1.019 19178 4175 1 11 . 1 1 23 23 THR CA C 23 66.380 66.380 64.521 1.859 19178 4176 1 11 . 1 1 23 23 THR CB C 23 67.579 67.579 68.346 -0.767 19178 4177 1 11 . 1 1 23 23 THR H H 23 7.752 7.752 7.328 0.424 19178 4178 1 11 . 1 1 24 24 LEU N N 24 125.735 125.735 122.609 3.126 19178 4179 1 11 . 1 1 24 24 LEU HA H 24 3.731 3.731 3.813 -0.082 19178 4180 1 11 . 1 1 24 24 LEU C C 24 178.544 178.544 178.987 -0.443 19178 4181 1 11 . 1 1 24 24 LEU CA C 24 58.882 58.882 58.240 0.642 19178 4182 1 11 . 1 1 24 24 LEU CB C 24 41.550 41.550 41.906 -0.356 19178 4183 1 11 . 1 1 24 24 LEU H H 24 7.886 7.886 7.286 0.600 19178 4184 1 11 . 1 1 25 25 MET N N 25 118.622 118.622 117.022 1.600 19178 4185 1 11 . 1 1 25 25 MET HA H 25 4.717 4.717 4.448 0.269 19178 4186 1 11 . 1 1 25 25 MET C C 25 181.465 181.465 178.376 3.089 19178 4187 1 11 . 1 1 25 25 MET CA C 25 55.604 55.604 58.340 -2.736 19178 4188 1 11 . 1 1 25 25 MET CB C 25 32.071 32.071 32.677 -0.606 19178 4189 1 11 . 1 1 25 25 MET H H 25 8.619 8.619 8.443 0.176 19178 4190 1 11 . 1 1 26 26 GLY N N 26 110.755 110.755 108.540 2.215 19178 4191 1 11 . 1 1 26 26 GLY C C 26 174.662 174.662 175.815 -1.153 19178 4192 1 11 . 1 1 26 26 GLY CA C 26 46.788 46.788 46.791 -0.003 19178 4193 1 11 . 1 1 26 26 GLY H H 26 8.953 8.953 7.947 1.006 19178 4194 1 11 . 1 1 27 27 SER N N 27 109.977 109.977 117.305 -7.328 19178 4195 1 11 . 1 1 27 27 SER HA H 27 4.422 4.422 4.311 0.111 19178 4196 1 11 . 1 1 27 27 SER C C 27 175.612 175.612 175.454 0.158 19178 4197 1 11 . 1 1 27 27 SER CA C 27 58.309 58.309 58.541 -0.232 19178 4198 1 11 . 1 1 27 27 SER CB C 27 64.423 64.423 63.620 0.803 19178 4199 1 11 . 1 1 27 27 SER H H 27 7.335 7.335 7.799 -0.464 19178 4200 1 11 . 1 1 28 28 GLY N N 28 110.105 110.105 107.855 2.250 19178 4201 1 11 . 1 1 28 28 GLY C C 28 174.029 174.029 175.037 -1.008 19178 4202 1 11 . 1 1 28 28 GLY CA C 28 45.371 45.371 45.365 0.006 19178 4203 1 11 . 1 1 28 28 GLY H H 28 7.536 7.536 8.221 -0.685 19178 4204 1 11 . 1 1 29 29 VAL N N 29 121.444 121.444 118.776 2.668 19178 4205 1 11 . 1 1 29 29 VAL HA H 29 4.720 4.720 3.832 0.888 19178 4206 1 11 . 1 1 29 29 VAL C C 29 177.149 177.149 175.985 1.164 19178 4207 1 11 . 1 1 29 29 VAL CA C 29 66.474 66.474 65.039 1.435 19178 4208 1 11 . 1 1 29 29 VAL CB C 29 32.694 32.694 32.400 0.294 19178 4209 1 11 . 1 1 29 29 VAL H H 29 7.738 7.738 7.513 0.225 19178 4210 1 11 . 1 1 30 30 LEU N N 30 115.594 115.594 116.959 -1.365 19178 4211 1 11 . 1 1 30 30 LEU HA H 30 5.349 5.349 4.455 0.894 19178 4212 1 11 . 1 1 30 30 LEU C C 30 174.427 174.427 174.866 -0.439 19178 4213 1 11 . 1 1 30 30 LEU CA C 30 52.231 52.231 53.328 -1.097 19178 4214 1 11 . 1 1 30 30 LEU CB C 30 43.525 43.525 43.710 -0.185 19178 4215 1 11 . 1 1 30 30 LEU H H 30 7.090 7.090 7.217 -0.127 19178 4216 1 11 . 1 1 31 31 ALA N N 31 122.020 122.020 121.088 0.932 19178 4217 1 11 . 1 1 31 31 ALA HA H 31 4.539 4.539 4.843 -0.304 19178 4218 1 11 . 1 1 31 31 ALA C C 31 175.130 175.130 175.035 0.095 19178 4219 1 11 . 1 1 31 31 ALA CA C 31 50.963 50.963 50.719 0.244 19178 4220 1 11 . 1 1 31 31 ALA CB C 31 22.314 22.314 20.999 1.315 19178 4221 1 11 . 1 1 31 31 ALA H H 31 8.981 8.981 8.507 0.474 19178 4222 1 11 . 1 1 32 32 ARG N N 32 118.606 118.606 121.403 -2.797 19178 4223 1 11 . 1 1 32 32 ARG HA H 32 5.342 5.342 4.631 0.711 19178 4224 1 11 . 1 1 32 32 ARG C C 32 178.051 178.051 175.627 2.424 19178 4225 1 11 . 1 1 32 32 ARG CA C 32 54.543 54.543 54.271 0.272 19178 4226 1 11 . 1 1 32 32 ARG CB C 32 31.485 31.485 31.182 0.303 19178 4227 1 11 . 1 1 32 32 ARG H H 32 8.223 8.223 8.152 0.071 19178 4228 1 11 . 1 1 33 33 CYS N N 33 125.750 125.750 123.702 2.048 19178 4229 1 11 . 1 1 33 33 CYS HA H 33 4.117 4.117 4.439 -0.322 19178 4230 1 11 . 1 1 33 33 CYS C C 33 175.978 175.978 176.464 -0.486 19178 4231 1 11 . 1 1 33 33 CYS CA C 33 60.620 60.620 59.182 1.438 19178 4232 1 11 . 1 1 33 33 CYS CB C 33 27.213 27.213 29.106 -1.893 19178 4233 1 11 . 1 1 33 33 CYS H H 33 8.314 8.314 8.793 -0.479 19178 4234 1 11 . 1 1 34 34 ARG N N 34 128.053 128.053 129.127 -1.074 19178 4235 1 11 . 1 1 34 34 ARG HA H 34 3.926 3.926 4.067 -0.141 19178 4236 1 11 . 1 1 34 34 ARG C C 34 176.565 176.565 175.431 1.134 19178 4237 1 11 . 1 1 34 34 ARG CA C 34 58.719 58.719 58.587 0.132 19178 4238 1 11 . 1 1 34 34 ARG CB C 34 30.159 30.159 29.146 1.013 19178 4239 1 11 . 1 1 34 34 ARG H H 34 8.578 8.578 8.852 -0.274 19178 4240 1 11 . 1 1 35 35 ILE N N 35 122.502 122.502 118.998 3.504 19178 4241 1 11 . 1 1 35 35 ILE HA H 35 3.843 3.843 3.962 -0.119 19178 4242 1 11 . 1 1 35 35 ILE C C 35 176.028 176.028 175.342 0.686 19178 4243 1 11 . 1 1 35 35 ILE CA C 35 62.035 62.035 61.734 0.301 19178 4244 1 11 . 1 1 35 35 ILE CB C 35 39.125 39.125 38.306 0.819 19178 4245 1 11 . 1 1 35 35 ILE H H 35 8.932 8.932 7.659 1.273 19178 4246 1 11 . 1 1 36 36 HIS N N 36 121.974 121.974 113.712 8.262 19178 4247 1 11 . 1 1 36 36 HIS HA H 36 4.569 4.569 4.836 -0.267 19178 4248 1 11 . 1 1 36 36 HIS CB C 36 31.187 31.187 30.436 0.750 19178 4249 1 11 . 1 1 36 36 HIS H H 36 8.078 8.078 7.491 0.587 19178 4250 1 11 . 1 1 37 37 ASN N N 37 119.433 119.433 120.415 -0.982 19178 4251 1 11 . 1 1 37 37 ASN HA H 37 4.399 4.399 4.571 -0.172 19178 4252 1 11 . 1 1 37 37 ASN C C 37 173.906 173.906 174.800 -0.894 19178 4253 1 11 . 1 1 37 37 ASN CA C 37 56.407 56.407 53.886 2.521 19178 4254 1 11 . 1 1 37 37 ASN CB C 37 39.331 39.331 38.969 0.362 19178 4255 1 11 . 1 1 37 37 ASN H H 37 8.386 8.386 8.633 -0.247 19178 4256 1 11 . 1 1 38 38 ASP N N 38 112.673 112.673 118.038 -5.365 19178 4257 1 11 . 1 1 38 38 ASP HA H 38 4.385 4.385 4.696 -0.311 19178 4258 1 11 . 1 1 38 38 ASP C C 38 175.841 175.841 175.214 0.627 19178 4259 1 11 . 1 1 38 38 ASP CA C 38 53.983 53.983 54.804 -0.821 19178 4260 1 11 . 1 1 38 38 ASP CB C 38 40.263 40.263 40.693 -0.430 19178 4261 1 11 . 1 1 38 38 ASP H H 38 8.880 8.880 8.527 0.353 19178 4262 1 11 . 1 1 39 39 VAL N N 39 124.385 124.385 118.426 5.959 19178 4263 1 11 . 1 1 39 39 VAL HA H 39 3.944 3.944 4.186 -0.242 19178 4264 1 11 . 1 1 39 39 VAL C C 39 173.731 173.731 174.826 -1.095 19178 4265 1 11 . 1 1 39 39 VAL CA C 39 63.514 63.514 60.388 3.126 19178 4266 1 11 . 1 1 39 39 VAL CB C 39 32.408 32.408 34.465 -2.057 19178 4267 1 11 . 1 1 39 39 VAL H H 39 8.253 8.253 7.364 0.889 19178 4268 1 11 . 1 1 40 40 ILE N N 40 128.130 128.130 124.013 4.117 19178 4269 1 11 . 1 1 40 40 ILE HA H 40 4.222 4.222 4.119 0.103 19178 4270 1 11 . 1 1 40 40 ILE C C 40 174.090 174.090 174.035 0.055 19178 4271 1 11 . 1 1 40 40 ILE CA C 40 60.635 60.635 59.650 0.985 19178 4272 1 11 . 1 1 40 40 ILE CB C 40 38.281 38.281 39.138 -0.857 19178 4273 1 11 . 1 1 40 40 ILE H H 40 7.836 7.836 7.645 0.191 19178 4274 1 11 . 1 1 41 41 LEU N N 41 124.924 124.924 129.916 -4.992 19178 4275 1 11 . 1 1 41 41 LEU HA H 41 4.884 4.884 4.948 -0.064 19178 4276 1 11 . 1 1 41 41 LEU C C 41 175.989 175.989 175.837 0.152 19178 4277 1 11 . 1 1 41 41 LEU CA C 41 52.654 52.654 52.787 -0.133 19178 4278 1 11 . 1 1 41 41 LEU CB C 41 45.122 45.122 45.142 -0.020 19178 4279 1 11 . 1 1 41 41 LEU H H 41 8.836 8.836 8.871 -0.035 19178 4280 1 11 . 1 1 42 42 ASP N N 42 119.247 119.247 121.536 -2.289 19178 4281 1 11 . 1 1 42 42 ASP HA H 42 4.858 4.858 4.375 0.483 19178 4282 1 11 . 1 1 42 42 ASP C C 42 176.128 176.128 175.784 0.344 19178 4283 1 11 . 1 1 42 42 ASP CA C 42 53.328 53.328 55.147 -1.819 19178 4284 1 11 . 1 1 42 42 ASP CB C 42 41.408 41.408 41.996 -0.588 19178 4285 1 11 . 1 1 42 42 ASP H H 42 8.725 8.725 8.607 0.118 19178 4286 1 11 . 1 1 43 43 SER N N 43 123.344 123.344 121.498 1.846 19178 4287 1 11 . 1 1 43 43 SER HA H 43 4.178 4.178 4.335 -0.157 19178 4288 1 11 . 1 1 43 43 SER C C 43 176.291 176.291 175.538 0.753 19178 4289 1 11 . 1 1 43 43 SER CA C 43 60.431 60.431 59.966 0.465 19178 4290 1 11 . 1 1 43 43 SER CB C 43 64.943 64.943 63.687 1.256 19178 4291 1 11 . 1 1 43 43 SER H H 43 8.462 8.462 8.503 -0.041 19178 4292 1 11 . 1 1 44 44 GLY N N 44 112.184 112.184 107.515 4.669 19178 4293 1 11 . 1 1 44 44 GLY C C 44 174.525 174.525 174.271 0.254 19178 4294 1 11 . 1 1 44 44 GLY CA C 44 45.368 45.368 44.759 0.609 19178 4295 1 11 . 1 1 44 44 GLY H H 44 9.230 9.230 8.662 0.568 19178 4296 1 11 . 1 1 45 45 ASN N N 45 119.774 119.774 119.048 0.726 19178 4297 1 11 . 1 1 45 45 ASN HA H 45 4.681 4.681 4.766 -0.085 19178 4298 1 11 . 1 1 45 45 ASN C C 45 174.866 174.866 174.197 0.669 19178 4299 1 11 . 1 1 45 45 ASN CA C 45 52.807 52.807 53.206 -0.399 19178 4300 1 11 . 1 1 45 45 ASN CB C 45 39.241 39.241 39.260 -0.019 19178 4301 1 11 . 1 1 45 45 ASN H H 45 8.486 8.486 7.806 0.679 19178 4302 1 11 . 1 1 46 46 ASP N N 46 120.223 120.223 120.292 -0.069 19178 4303 1 11 . 1 1 46 46 ASP HA H 46 4.367 4.367 4.461 -0.094 19178 4304 1 11 . 1 1 46 46 ASP C C 46 177.272 177.272 176.588 0.684 19178 4305 1 11 . 1 1 46 46 ASP CA C 46 54.869 54.869 54.997 -0.128 19178 4306 1 11 . 1 1 46 46 ASP CB C 46 42.461 42.461 40.593 1.868 19178 4307 1 11 . 1 1 46 46 ASP H H 46 8.387 8.387 8.579 -0.192 19178 4308 1 11 . 1 1 47 47 ALA N N 47 126.587 126.587 129.208 -2.621 19178 4309 1 11 . 1 1 47 47 ALA HA H 47 3.741 3.741 4.014 -0.273 19178 4310 1 11 . 1 1 47 47 ALA C C 47 177.980 177.980 177.431 0.549 19178 4311 1 11 . 1 1 47 47 ALA CA C 47 53.866 53.866 53.712 0.154 19178 4312 1 11 . 1 1 47 47 ALA CB C 47 16.554 16.554 18.538 -1.984 19178 4313 1 11 . 1 1 47 47 ALA H H 47 8.747 8.747 8.420 0.327 19178 4314 1 11 . 1 1 48 48 SER N N 48 115.463 115.463 113.969 1.494 19178 4315 1 11 . 1 1 48 48 SER HA H 48 4.203 4.203 3.952 0.251 19178 4316 1 11 . 1 1 48 48 SER CA C 48 61.994 61.994 61.297 0.697 19178 4317 1 11 . 1 1 48 48 SER H H 48 8.973 8.973 8.041 0.932 19178 4318 1 11 . 1 1 49 49 SER C C 49 176.587 176.587 176.006 0.581 19178 4319 1 11 . 1 1 49 49 SER CA C 49 62.279 62.279 61.617 0.662 19178 4320 1 11 . 1 1 50 50 ALA N N 50 125.775 125.775 124.669 1.106 19178 4321 1 11 . 1 1 50 50 ALA HA H 50 4.076 4.076 4.402 -0.326 19178 4322 1 11 . 1 1 50 50 ALA C C 50 179.125 179.125 180.481 -1.356 19178 4323 1 11 . 1 1 50 50 ALA CA C 50 54.822 54.822 54.589 0.233 19178 4324 1 11 . 1 1 50 50 ALA CB C 50 18.834 18.834 18.369 0.466 19178 4325 1 11 . 1 1 50 50 ALA H H 50 7.620 7.620 7.416 0.204 19178 4326 1 11 . 1 1 51 51 TYR N N 51 117.562 117.562 117.711 -0.149 19178 4327 1 11 . 1 1 51 51 TYR HA H 51 4.275 4.275 4.256 0.019 19178 4328 1 11 . 1 1 51 51 TYR C C 51 179.622 179.622 178.466 1.156 19178 4329 1 11 . 1 1 51 51 TYR CA C 51 60.966 60.966 58.195 2.771 19178 4330 1 11 . 1 1 51 51 TYR CB C 51 36.803 36.803 36.936 -0.133 19178 4331 1 11 . 1 1 51 51 TYR H H 51 7.397 7.397 7.938 -0.541 19178 4332 1 11 . 1 1 52 52 LYS N N 52 121.441 121.441 120.576 0.865 19178 4333 1 11 . 1 1 52 52 LYS HA H 52 4.103 4.103 4.091 0.012 19178 4334 1 11 . 1 1 52 52 LYS C C 52 179.041 179.041 179.281 -0.240 19178 4335 1 11 . 1 1 52 52 LYS CA C 52 59.827 59.827 59.958 -0.131 19178 4336 1 11 . 1 1 52 52 LYS H H 52 8.332 8.332 8.403 -0.071 19178 4337 1 11 . 1 1 53 53 LEU N N 53 122.286 122.286 119.727 2.559 19178 4338 1 11 . 1 1 53 53 LEU HA H 53 4.376 4.376 4.256 0.120 19178 4339 1 11 . 1 1 53 53 LEU C C 53 178.373 178.373 178.789 -0.416 19178 4340 1 11 . 1 1 53 53 LEU CA C 53 57.863 57.863 57.512 0.351 19178 4341 1 11 . 1 1 53 53 LEU CB C 53 41.288 41.288 41.303 -0.016 19178 4342 1 11 . 1 1 53 53 LEU H H 53 7.671 7.671 8.653 -0.982 19178 4343 1 11 . 1 1 54 54 GLY N N 54 127.824 127.824 107.680 20.144 19178 4344 1 11 . 1 1 54 54 GLY C C 54 174.865 174.865 176.130 -1.265 19178 4345 1 11 . 1 1 54 54 GLY CA C 54 47.971 47.971 47.440 0.532 19178 4346 1 11 . 1 1 54 54 GLY H H 54 9.020 9.020 8.603 0.417 19178 4347 1 11 . 1 1 55 55 THR N N 55 117.961 117.961 119.719 -1.758 19178 4348 1 11 . 1 1 55 55 THR HA H 55 4.445 4.445 4.298 0.147 19178 4349 1 11 . 1 1 55 55 THR C C 55 175.188 175.188 176.131 -0.943 19178 4350 1 11 . 1 1 55 55 THR CA C 55 67.593 67.593 67.771 -0.178 19178 4351 1 11 . 1 1 55 55 THR H H 55 8.123 8.123 8.450 -0.327 19178 4352 1 11 . 1 1 56 56 TYR N N 56 122.294 122.294 123.421 -1.127 19178 4353 1 11 . 1 1 56 56 TYR HA H 56 4.346 4.346 4.164 0.182 19178 4354 1 11 . 1 1 56 56 TYR C C 56 177.909 177.909 177.407 0.502 19178 4355 1 11 . 1 1 56 56 TYR CA C 56 61.147 61.147 61.892 -0.745 19178 4356 1 11 . 1 1 56 56 TYR CB C 56 37.981 37.981 38.400 -0.419 19178 4357 1 11 . 1 1 56 56 TYR H H 56 7.697 7.697 8.167 -0.470 19178 4358 1 11 . 1 1 57 57 LEU N N 57 118.703 118.703 119.565 -0.862 19178 4359 1 11 . 1 1 57 57 LEU HA H 57 3.914 3.914 3.837 0.077 19178 4360 1 11 . 1 1 57 57 LEU C C 57 180.087 180.087 178.901 1.186 19178 4361 1 11 . 1 1 57 57 LEU CA C 57 57.780 57.780 57.226 0.554 19178 4362 1 11 . 1 1 57 57 LEU CB C 57 42.026 42.026 42.115 -0.089 19178 4363 1 11 . 1 1 57 57 LEU H H 57 8.909 8.909 8.046 0.863 19178 4364 1 11 . 1 1 58 58 TYR N N 58 120.667 120.667 117.231 3.436 19178 4365 1 11 . 1 1 58 58 TYR HA H 58 4.209 4.209 4.097 0.112 19178 4366 1 11 . 1 1 58 58 TYR C C 58 177.511 177.511 176.679 0.832 19178 4367 1 11 . 1 1 58 58 TYR CA C 58 61.641 61.641 60.589 1.052 19178 4368 1 11 . 1 1 58 58 TYR H H 58 8.971 8.971 8.171 0.800 19178 4369 1 11 . 1 1 59 59 GLN N N 59 119.344 119.344 119.060 0.284 19178 4370 1 11 . 1 1 59 59 GLN HA H 59 4.668 4.668 4.448 0.220 19178 4371 1 11 . 1 1 59 59 GLN C C 59 179.270 179.270 174.396 4.874 19178 4372 1 11 . 1 1 59 59 GLN H H 59 8.378 8.378 8.133 0.245 19178 4373 1 11 . 1 1 67 67 PHE HA H 67 4.852 4.852 4.435 0.417 19178 4374 1 11 . 1 1 67 67 PHE C C 67 175.889 175.889 175.024 0.865 19178 4375 1 11 . 1 1 67 67 PHE CA C 67 55.576 55.576 57.992 -2.416 19178 4376 1 11 . 1 1 67 67 PHE CB C 67 42.444 42.444 39.850 2.594 19178 4377 1 11 . 1 1 68 68 ASN N N 68 120.775 120.775 124.849 -4.074 19178 4378 1 11 . 1 1 68 68 ASN C C 68 175.338 175.338 174.314 1.024 19178 4379 1 11 . 1 1 68 68 ASN CA C 68 55.092 55.092 52.483 2.609 19178 4380 1 11 . 1 1 68 68 ASN CB C 68 40.006 40.006 40.343 -0.337 19178 4381 1 11 . 1 1 68 68 ASN H H 68 9.560 9.560 8.313 1.247 19178 4382 1 11 . 1 1 69 69 THR N N 69 127.914 127.914 119.815 8.099 19178 4383 1 11 . 1 1 69 69 THR HA H 69 4.732 4.732 3.978 0.754 19178 4384 1 11 . 1 1 69 69 THR C C 69 173.530 173.530 175.126 -1.596 19178 4385 1 11 . 1 1 69 69 THR CA C 69 58.877 58.877 61.983 -3.106 19178 4386 1 11 . 1 1 69 69 THR CB C 69 73.620 73.620 69.396 4.224 19178 4387 1 11 . 1 1 69 69 THR H H 69 7.237 7.237 8.346 -1.109 19178 4388 1 11 . 1 1 70 70 LEU N N 70 122.013 122.013 128.439 -6.426 19178 4389 1 11 . 1 1 70 70 LEU HA H 70 3.005 3.005 4.079 -1.074 19178 4390 1 11 . 1 1 70 70 LEU C C 70 178.252 178.252 178.208 0.044 19178 4391 1 11 . 1 1 70 70 LEU CA C 70 56.721 56.721 57.336 -0.615 19178 4392 1 11 . 1 1 70 70 LEU CB C 70 41.199 41.199 41.393 -0.194 19178 4393 1 11 . 1 1 70 70 LEU H H 70 8.614 8.614 8.742 -0.128 19178 4394 1 11 . 1 1 71 71 THR N N 71 114.041 114.041 114.547 -0.506 19178 4395 1 11 . 1 1 71 71 THR HA H 71 3.620 3.620 3.836 -0.216 19178 4396 1 11 . 1 1 71 71 THR C C 71 175.400 175.400 176.366 -0.966 19178 4397 1 11 . 1 1 71 71 THR CA C 71 66.405 66.405 67.419 -1.014 19178 4398 1 11 . 1 1 71 71 THR CB C 71 68.517 68.517 68.385 0.132 19178 4399 1 11 . 1 1 71 71 THR H H 71 7.694 7.694 8.145 -0.451 19178 4400 1 11 . 1 1 72 72 GLU N N 72 120.141 120.141 120.958 -0.817 19178 4401 1 11 . 1 1 72 72 GLU HA H 72 3.997 3.997 3.922 0.075 19178 4402 1 11 . 1 1 72 72 GLU C C 72 178.982 178.982 178.151 0.831 19178 4403 1 11 . 1 1 72 72 GLU CA C 72 59.250 59.250 59.514 -0.264 19178 4404 1 11 . 1 1 72 72 GLU CB C 72 30.907 30.907 29.243 1.664 19178 4405 1 11 . 1 1 72 72 GLU H H 72 7.514 7.514 7.589 -0.075 19178 4406 1 11 . 1 1 73 73 ALA N N 73 123.400 123.400 122.338 1.062 19178 4407 1 11 . 1 1 73 73 ALA HA H 73 2.167 2.167 3.641 -1.474 19178 4408 1 11 . 1 1 73 73 ALA C C 73 178.959 178.959 179.583 -0.624 19178 4409 1 11 . 1 1 73 73 ALA CA C 73 54.323 54.323 54.876 -0.553 19178 4410 1 11 . 1 1 73 73 ALA CB C 73 17.561 17.561 17.658 -0.097 19178 4411 1 11 . 1 1 73 73 ALA H H 73 6.788 6.788 7.361 -0.573 19178 4412 1 11 . 1 1 74 74 ARG N N 74 116.272 116.272 119.053 -2.781 19178 4413 1 11 . 1 1 74 74 ARG HA H 74 3.887 3.887 3.757 0.130 19178 4414 1 11 . 1 1 74 74 ARG C C 74 179.230 179.230 178.042 1.188 19178 4415 1 11 . 1 1 74 74 ARG CA C 74 60.442 60.442 58.826 1.616 19178 4416 1 11 . 1 1 74 74 ARG CB C 74 29.878 29.878 29.729 0.149 19178 4417 1 11 . 1 1 74 74 ARG H H 74 8.145 8.145 8.108 0.037 19178 4418 1 11 . 1 1 75 75 ASP N N 75 120.487 120.487 118.838 1.649 19178 4419 1 11 . 1 1 75 75 ASP HA H 75 4.446 4.446 4.421 0.025 19178 4420 1 11 . 1 1 75 75 ASP C C 75 178.040 178.040 178.110 -0.070 19178 4421 1 11 . 1 1 75 75 ASP CA C 75 57.166 57.166 56.798 0.367 19178 4422 1 11 . 1 1 75 75 ASP CB C 75 39.687 39.687 40.521 -0.834 19178 4423 1 11 . 1 1 75 75 ASP H H 75 8.594 8.594 8.038 0.556 19178 4424 1 11 . 1 1 76 76 ALA N N 76 122.773 122.773 122.323 0.450 19178 4425 1 11 . 1 1 76 76 ALA HA H 76 4.345 4.345 4.081 0.264 19178 4426 1 11 . 1 1 76 76 ALA C C 76 181.221 181.221 179.782 1.439 19178 4427 1 11 . 1 1 76 76 ALA CA C 76 55.245 55.245 55.076 0.169 19178 4428 1 11 . 1 1 76 76 ALA CB C 76 18.316 18.316 18.565 -0.249 19178 4429 1 11 . 1 1 76 76 ALA H H 76 7.668 7.668 7.748 -0.080 19178 4430 1 11 . 1 1 77 77 ILE N N 77 120.254 120.254 117.950 2.304 19178 4431 1 11 . 1 1 77 77 ILE HA H 77 3.632 3.632 3.744 -0.112 19178 4432 1 11 . 1 1 77 77 ILE C C 77 176.567 176.567 177.934 -1.367 19178 4433 1 11 . 1 1 77 77 ILE CA C 77 66.365 66.365 65.172 1.193 19178 4434 1 11 . 1 1 77 77 ILE CB C 77 37.947 37.947 37.649 0.298 19178 4435 1 11 . 1 1 77 77 ILE H H 77 7.724 7.724 8.326 -0.602 19178 4436 1 11 . 1 1 78 78 LYS N N 78 122.773 122.773 119.590 3.183 19178 4437 1 11 . 1 1 78 78 LYS HA H 78 4.265 4.265 4.027 0.238 19178 4438 1 11 . 1 1 78 78 LYS C C 78 178.382 178.382 179.104 -0.722 19178 4439 1 11 . 1 1 78 78 LYS CA C 78 60.442 60.442 59.305 1.137 19178 4440 1 11 . 1 1 78 78 LYS CB C 78 33.021 33.021 31.692 1.329 19178 4441 1 11 . 1 1 78 78 LYS H H 78 8.465 8.465 8.241 0.224 19178 4442 1 11 . 1 1 79 79 ASP N N 79 118.165 118.165 120.342 -2.177 19178 4443 1 11 . 1 1 79 79 ASP HA H 79 4.353 4.353 4.455 -0.102 19178 4444 1 11 . 1 1 79 79 ASP C C 79 179.289 179.289 177.978 1.311 19178 4445 1 11 . 1 1 79 79 ASP CA C 79 57.245 57.245 57.261 -0.016 19178 4446 1 11 . 1 1 79 79 ASP H H 79 8.541 8.541 8.331 0.210 19178 4447 1 11 . 1 1 80 80 ALA N N 80 122.362 122.362 122.512 -0.150 19178 4448 1 11 . 1 1 80 80 ALA HA H 80 4.340 4.340 4.296 0.044 19178 4449 1 11 . 1 1 80 80 ALA C C 80 179.265 179.265 180.337 -1.072 19178 4450 1 11 . 1 1 80 80 ALA CA C 80 54.979 54.979 55.166 -0.188 19178 4451 1 11 . 1 1 80 80 ALA CB C 80 18.254 18.254 18.604 -0.350 19178 4452 1 11 . 1 1 80 80 ALA H H 80 7.727 7.727 8.012 -0.285 19178 4453 1 11 . 1 1 81 81 TYR N N 81 118.882 118.882 117.670 1.212 19178 4454 1 11 . 1 1 81 81 TYR HA H 81 4.115 4.115 4.251 -0.136 19178 4455 1 11 . 1 1 81 81 TYR C C 81 178.146 178.146 178.672 -0.526 19178 4456 1 11 . 1 1 81 81 TYR CA C 81 61.635 61.635 60.547 1.088 19178 4457 1 11 . 1 1 81 81 TYR CB C 81 38.115 38.115 38.179 -0.064 19178 4458 1 11 . 1 1 81 81 TYR H H 81 9.037 9.037 9.029 0.008 19178 4459 1 11 . 1 1 82 82 GLU N N 82 116.630 116.630 117.411 -0.781 19178 4460 1 11 . 1 1 82 82 GLU HA H 82 3.816 3.816 4.115 -0.299 19178 4461 1 11 . 1 1 82 82 GLU C C 82 178.664 178.664 177.808 0.856 19178 4462 1 11 . 1 1 82 82 GLU CA C 82 59.304 59.304 58.577 0.727 19178 4463 1 11 . 1 1 82 82 GLU CB C 82 28.848 28.848 29.348 -0.500 19178 4464 1 11 . 1 1 82 82 GLU H H 82 8.854 8.854 8.510 0.344 19178 4465 1 11 . 1 1 83 83 SER N N 83 114.004 114.004 114.681 -0.677 19178 4466 1 11 . 1 1 83 83 SER HA H 83 4.164 4.164 4.265 -0.101 19178 4467 1 11 . 1 1 83 83 SER C C 83 174.387 174.387 175.737 -1.350 19178 4468 1 11 . 1 1 83 83 SER CA C 83 61.038 61.038 60.402 0.636 19178 4469 1 11 . 1 1 83 83 SER CB C 83 63.152 63.152 63.678 -0.526 19178 4470 1 11 . 1 1 83 83 SER H H 83 7.573 7.573 8.196 -0.623 19178 4471 1 11 . 1 1 84 84 TYR N N 84 117.323 117.323 118.752 -1.429 19178 4472 1 11 . 1 1 84 84 TYR HA H 84 4.595 4.595 4.598 -0.003 19178 4473 1 11 . 1 1 84 84 TYR C C 84 174.434 174.434 175.218 -0.784 19178 4474 1 11 . 1 1 84 84 TYR CA C 84 58.871 58.871 58.227 0.644 19178 4475 1 11 . 1 1 84 84 TYR CB C 84 41.746 41.746 39.329 2.417 19178 4476 1 11 . 1 1 84 84 TYR H H 84 7.319 7.319 8.048 -0.729 19178 4477 1 11 . 1 1 85 85 CYS N N 85 118.762 118.762 118.571 0.191 19178 4478 1 11 . 1 1 85 85 CYS HA H 85 3.940 3.940 4.349 -0.409 19178 4479 1 11 . 1 1 85 85 CYS C C 85 176.178 176.178 175.219 0.959 19178 4480 1 11 . 1 1 85 85 CYS CA C 85 58.817 58.817 61.361 -2.544 19178 4481 1 11 . 1 1 85 85 CYS CB C 85 26.042 26.042 28.793 -2.751 19178 4482 1 11 . 1 1 85 85 CYS H H 85 7.670 7.670 7.845 -0.175 19178 4483 1 11 . 1 1 86 86 GLY N N 86 113.730 113.730 113.962 -0.232 19178 4484 1 11 . 1 1 86 86 GLY C C 86 174.587 174.587 173.701 0.886 19178 4485 1 11 . 1 1 86 86 GLY CA C 86 45.214 45.214 44.972 0.242 19178 4486 1 11 . 1 1 86 86 GLY H H 86 10.799 10.799 8.435 2.364 19178 4487 1 11 . 1 1 87 87 ILE N N 87 122.743 122.743 118.900 3.843 19178 4488 1 11 . 1 1 87 87 ILE HA H 87 4.291 4.291 4.642 -0.351 19178 4489 1 11 . 1 1 87 87 ILE C C 87 174.340 174.340 174.059 0.281 19178 4490 1 11 . 1 1 87 87 ILE CA C 87 60.968 60.968 59.221 1.747 19178 4491 1 11 . 1 1 87 87 ILE CB C 87 35.512 35.512 37.455 -1.943 19178 4492 1 11 . 1 1 87 87 ILE H H 87 8.023 8.023 7.419 0.604 19178 4493 1 11 . 1 1 88 88 ASP N N 88 125.059 125.059 123.698 1.361 19178 4494 1 11 . 1 1 88 88 ASP HA H 88 4.750 4.750 4.895 -0.145 19178 4495 1 11 . 1 1 88 88 ASP C C 88 175.895 175.895 175.820 0.075 19178 4496 1 11 . 1 1 88 88 ASP CA C 88 54.319 54.319 54.480 -0.161 19178 4497 1 11 . 1 1 88 88 ASP CB C 88 41.692 41.692 42.114 -0.422 19178 4498 1 11 . 1 1 88 88 ASP H H 88 8.127 8.127 8.915 -0.788 19178 4499 1 11 . 1 1 89 89 ASP N N 89 117.971 117.971 116.688 1.283 19178 4500 1 11 . 1 1 89 89 ASP HA H 89 4.822 4.822 4.751 0.071 19178 4501 1 11 . 1 1 89 89 ASP C C 89 174.069 174.069 175.760 -1.691 19178 4502 1 11 . 1 1 89 89 ASP CA C 89 52.369 52.369 52.803 -0.435 19178 4503 1 11 . 1 1 89 89 ASP CB C 89 43.625 43.625 42.457 1.168 19178 4504 1 11 . 1 1 89 89 ASP H H 89 7.617 7.617 7.661 -0.044 19178 4505 1 11 . 1 1 90 90 CYS N N 90 126.238 126.238 120.155 6.083 19178 4506 1 11 . 1 1 90 90 CYS C C 90 175.636 175.636 175.920 -0.284 19178 4507 1 11 . 1 1 90 90 CYS CA C 90 56.215 56.215 56.804 -0.589 19178 4508 1 11 . 1 1 90 90 CYS H H 90 8.936 8.936 9.023 -0.087 19178 4509 1 11 . 1 1 91 91 PRO HA H 91 4.460 4.460 4.360 0.100 19178 4510 1 11 . 1 1 91 91 PRO C C 91 178.629 178.629 178.303 0.326 19178 4511 1 11 . 1 1 91 91 PRO CA C 91 64.614 64.614 65.447 -0.833 19178 4512 1 11 . 1 1 91 91 PRO CB C 91 32.208 32.208 32.011 0.197 19178 4513 1 11 . 1 1 92 92 GLN N N 92 119.363 119.363 119.408 -0.045 19178 4514 1 11 . 1 1 92 92 GLN HA H 92 4.060 4.060 4.322 -0.262 19178 4515 1 11 . 1 1 92 92 GLN C C 92 178.181 178.181 178.313 -0.132 19178 4516 1 11 . 1 1 92 92 GLN CA C 92 57.837 57.837 58.452 -0.615 19178 4517 1 11 . 1 1 92 92 GLN CB C 92 28.252 28.252 27.842 0.410 19178 4518 1 11 . 1 1 92 92 GLN H H 92 8.253 8.253 8.656 -0.403 19178 4519 1 11 . 1 1 93 93 CYS N N 93 124.725 124.725 116.974 7.751 19178 4520 1 11 . 1 1 93 93 CYS HA H 93 4.269 4.269 4.256 0.013 19178 4521 1 11 . 1 1 93 93 CYS C C 93 177.180 177.180 176.711 0.469 19178 4522 1 11 . 1 1 93 93 CYS CA C 93 64.366 64.366 61.753 2.613 19178 4523 1 11 . 1 1 93 93 CYS CB C 93 30.379 30.379 26.378 4.002 19178 4524 1 11 . 1 1 93 93 CYS H H 93 8.581 8.581 8.343 0.238 19178 4525 1 11 . 1 1 94 94 SER N N 94 113.467 113.467 112.357 1.110 19178 4526 1 11 . 1 1 94 94 SER HA H 94 4.277 4.277 4.293 -0.016 19178 4527 1 11 . 1 1 94 94 SER C C 94 174.481 174.481 176.112 -1.631 19178 4528 1 11 . 1 1 94 94 SER CA C 94 59.432 59.432 60.662 -1.230 19178 4529 1 11 . 1 1 94 94 SER CB C 94 63.217 63.217 63.274 -0.057 19178 4530 1 11 . 1 1 94 94 SER H H 94 7.753 7.753 7.801 -0.048 19178 4531 1 11 . 1 1 95 95 LYS N N 95 121.369 121.369 121.111 0.258 19178 4532 1 11 . 1 1 95 95 LYS HA H 95 4.211 4.211 4.128 0.083 19178 4533 1 11 . 1 1 95 95 LYS C C 95 176.237 176.237 176.771 -0.534 19178 4534 1 11 . 1 1 95 95 LYS CA C 95 56.622 56.622 57.731 -1.109 19178 4535 1 11 . 1 1 95 95 LYS CB C 95 32.756 32.756 33.275 -0.519 19178 4536 1 11 . 1 1 95 95 LYS H H 95 7.520 7.520 7.571 -0.051 19178 4537 1 11 . 1 1 96 96 TYR N N 96 121.000 121.000 119.735 1.265 19178 4538 1 11 . 1 1 96 96 TYR HA H 96 4.559 4.559 4.586 -0.027 19178 4539 1 11 . 1 1 96 96 TYR C C 96 175.577 175.577 174.475 1.102 19178 4540 1 11 . 1 1 96 96 TYR CA C 96 58.039 58.039 57.849 0.190 19178 4541 1 11 . 1 1 96 96 TYR CB C 96 38.694 38.694 38.494 0.200 19178 4542 1 11 . 1 1 96 96 TYR H H 96 8.005 8.005 7.858 0.147 19178 4543 1 11 . 1 1 97 97 ILE N N 97 123.003 123.003 127.347 -4.344 19178 4544 1 11 . 1 1 97 97 ILE HA H 97 4.120 4.120 4.413 -0.293 19178 4545 1 11 . 1 1 97 97 ILE C C 97 175.194 175.194 175.030 0.164 19178 4546 1 11 . 1 1 97 97 ILE CA C 97 60.929 60.929 60.285 0.644 19178 4547 1 11 . 1 1 97 97 ILE CB C 97 39.044 39.044 40.655 -1.611 19178 4548 1 11 . 1 1 97 97 ILE H H 97 7.832 7.832 8.321 -0.489 19178 4549 1 11 . 1 1 98 98 ASP N N 98 125.070 125.070 126.377 -1.307 19178 4550 1 11 . 1 1 98 98 ASP HA H 98 4.627 4.627 4.781 -0.154 19178 4551 1 11 . 1 1 98 98 ASP C C 98 174.976 174.976 175.459 -0.483 19178 4552 1 11 . 1 1 98 98 ASP CA C 98 54.184 54.184 53.737 0.447 19178 4553 1 11 . 1 1 98 98 ASP CB C 98 41.502 41.502 40.600 0.902 19178 4554 1 11 . 1 1 98 98 ASP H H 98 8.245 8.245 8.572 -0.327 19178 4555 1 12 . 1 1 16 16 GLN HA H 16 4.330 4.330 4.048 0.282 19178 4556 1 12 . 1 1 17 17 GLU N N 17 119.126 119.126 119.205 -0.079 19178 4557 1 12 . 1 1 17 17 GLU HA H 17 4.329 4.329 4.143 0.186 19178 4558 1 12 . 1 1 17 17 GLU H H 17 8.422 8.422 8.836 -0.414 19178 4559 1 12 . 1 1 18 18 GLN N N 18 120.450 120.450 118.748 1.702 19178 4560 1 12 . 1 1 18 18 GLN HA H 18 4.081 4.081 4.236 -0.155 19178 4561 1 12 . 1 1 18 18 GLN H H 18 8.729 8.729 7.924 0.805 19178 4562 1 12 . 1 1 19 19 TRP N N 19 121.902 121.902 121.019 0.883 19178 4563 1 12 . 1 1 19 19 TRP HA H 19 4.125 4.125 4.335 -0.210 19178 4564 1 12 . 1 1 19 19 TRP C C 19 179.400 179.400 178.212 1.188 19178 4565 1 12 . 1 1 19 19 TRP CA C 19 62.361 62.361 60.633 1.728 19178 4566 1 12 . 1 1 19 19 TRP CB C 19 29.938 29.938 29.091 0.847 19178 4567 1 12 . 1 1 19 19 TRP H H 19 8.561 8.561 8.490 0.071 19178 4568 1 12 . 1 1 20 20 ALA N N 20 122.759 122.759 122.582 0.177 19178 4569 1 12 . 1 1 20 20 ALA HA H 20 3.815 3.815 3.792 0.023 19178 4570 1 12 . 1 1 20 20 ALA C C 20 180.433 180.433 179.133 1.300 19178 4571 1 12 . 1 1 20 20 ALA CA C 20 55.619 55.619 55.053 0.566 19178 4572 1 12 . 1 1 20 20 ALA CB C 20 18.474 18.474 18.072 0.403 19178 4573 1 12 . 1 1 20 20 ALA H H 20 8.828 8.828 7.913 0.915 19178 4574 1 12 . 1 1 21 21 MET N N 21 117.474 117.474 116.905 0.569 19178 4575 1 12 . 1 1 21 21 MET HA H 21 4.479 4.479 4.080 0.399 19178 4576 1 12 . 1 1 21 21 MET C C 21 178.744 178.744 178.117 0.627 19178 4577 1 12 . 1 1 21 21 MET CA C 21 56.778 56.778 58.299 -1.521 19178 4578 1 12 . 1 1 21 21 MET CB C 21 29.956 29.956 31.955 -1.999 19178 4579 1 12 . 1 1 21 21 MET H H 21 8.702 8.702 7.743 0.959 19178 4580 1 12 . 1 1 22 22 GLN N N 22 119.738 119.738 119.964 -0.226 19178 4581 1 12 . 1 1 22 22 GLN HA H 22 4.025 4.025 3.822 0.203 19178 4582 1 12 . 1 1 22 22 GLN C C 22 180.104 180.104 178.305 1.799 19178 4583 1 12 . 1 1 22 22 GLN CA C 22 58.872 58.872 59.415 -0.543 19178 4584 1 12 . 1 1 22 22 GLN CB C 22 27.880 27.880 27.547 0.333 19178 4585 1 12 . 1 1 22 22 GLN H H 22 8.531 8.531 7.740 0.791 19178 4586 1 12 . 1 1 23 23 THR N N 23 117.049 117.049 116.376 0.673 19178 4587 1 12 . 1 1 23 23 THR HA H 23 3.715 3.715 3.912 -0.197 19178 4588 1 12 . 1 1 23 23 THR C C 23 177.477 177.477 176.595 0.882 19178 4589 1 12 . 1 1 23 23 THR CA C 23 66.380 66.380 65.940 0.440 19178 4590 1 12 . 1 1 23 23 THR CB C 23 67.579 67.579 68.675 -1.097 19178 4591 1 12 . 1 1 23 23 THR H H 23 7.752 7.752 7.652 0.100 19178 4592 1 12 . 1 1 24 24 LEU N N 24 125.735 125.735 122.750 2.985 19178 4593 1 12 . 1 1 24 24 LEU HA H 24 3.731 3.731 3.832 -0.101 19178 4594 1 12 . 1 1 24 24 LEU C C 24 178.544 178.544 179.486 -0.942 19178 4595 1 12 . 1 1 24 24 LEU CA C 24 58.882 58.882 58.852 0.030 19178 4596 1 12 . 1 1 24 24 LEU CB C 24 41.550 41.550 41.970 -0.420 19178 4597 1 12 . 1 1 24 24 LEU H H 24 7.886 7.886 7.471 0.415 19178 4598 1 12 . 1 1 25 25 MET N N 25 118.622 118.622 116.658 1.964 19178 4599 1 12 . 1 1 25 25 MET HA H 25 4.717 4.717 4.155 0.562 19178 4600 1 12 . 1 1 25 25 MET C C 25 181.465 181.465 179.097 2.368 19178 4601 1 12 . 1 1 25 25 MET CA C 25 55.604 55.604 58.913 -3.309 19178 4602 1 12 . 1 1 25 25 MET CB C 25 32.071 32.071 32.266 -0.195 19178 4603 1 12 . 1 1 25 25 MET H H 25 8.619 8.619 8.659 -0.040 19178 4604 1 12 . 1 1 26 26 GLY N N 26 110.755 110.755 106.900 3.855 19178 4605 1 12 . 1 1 26 26 GLY C C 26 174.662 174.662 175.321 -0.659 19178 4606 1 12 . 1 1 26 26 GLY CA C 26 46.788 46.788 46.428 0.360 19178 4607 1 12 . 1 1 26 26 GLY H H 26 8.953 8.953 8.222 0.731 19178 4608 1 12 . 1 1 27 27 SER N N 27 109.977 109.977 117.418 -7.441 19178 4609 1 12 . 1 1 27 27 SER HA H 27 4.422 4.422 4.320 0.102 19178 4610 1 12 . 1 1 27 27 SER C C 27 175.612 175.612 175.617 -0.005 19178 4611 1 12 . 1 1 27 27 SER CA C 27 58.309 58.309 59.437 -1.128 19178 4612 1 12 . 1 1 27 27 SER CB C 27 64.423 64.423 63.936 0.487 19178 4613 1 12 . 1 1 27 27 SER H H 27 7.335 7.335 7.831 -0.496 19178 4614 1 12 . 1 1 28 28 GLY N N 28 110.105 110.105 109.782 0.323 19178 4615 1 12 . 1 1 28 28 GLY C C 28 174.029 174.029 174.784 -0.755 19178 4616 1 12 . 1 1 28 28 GLY CA C 28 45.371 45.371 45.306 0.065 19178 4617 1 12 . 1 1 28 28 GLY H H 28 7.536 7.536 7.935 -0.399 19178 4618 1 12 . 1 1 29 29 VAL N N 29 121.444 121.444 120.248 1.196 19178 4619 1 12 . 1 1 29 29 VAL HA H 29 4.720 4.720 3.875 0.845 19178 4620 1 12 . 1 1 29 29 VAL C C 29 177.149 177.149 175.761 1.388 19178 4621 1 12 . 1 1 29 29 VAL CA C 29 66.474 66.474 64.231 2.243 19178 4622 1 12 . 1 1 29 29 VAL CB C 29 32.694 32.694 32.288 0.406 19178 4623 1 12 . 1 1 29 29 VAL H H 29 7.738 7.738 7.503 0.235 19178 4624 1 12 . 1 1 30 30 LEU N N 30 115.594 115.594 116.518 -0.924 19178 4625 1 12 . 1 1 30 30 LEU HA H 30 5.349 5.349 4.621 0.728 19178 4626 1 12 . 1 1 30 30 LEU C C 30 174.427 174.427 174.805 -0.378 19178 4627 1 12 . 1 1 30 30 LEU CA C 30 52.231 52.231 52.945 -0.714 19178 4628 1 12 . 1 1 30 30 LEU CB C 30 43.525 43.525 44.669 -1.144 19178 4629 1 12 . 1 1 30 30 LEU H H 30 7.090 7.090 7.375 -0.285 19178 4630 1 12 . 1 1 31 31 ALA N N 31 122.020 122.020 120.965 1.055 19178 4631 1 12 . 1 1 31 31 ALA HA H 31 4.539 4.539 4.719 -0.180 19178 4632 1 12 . 1 1 31 31 ALA C C 31 175.130 175.130 175.548 -0.418 19178 4633 1 12 . 1 1 31 31 ALA CA C 31 50.963 50.963 50.944 0.019 19178 4634 1 12 . 1 1 31 31 ALA CB C 31 22.314 22.314 21.289 1.025 19178 4635 1 12 . 1 1 31 31 ALA H H 31 8.981 8.981 8.839 0.142 19178 4636 1 12 . 1 1 32 32 ARG N N 32 118.606 118.606 120.565 -1.959 19178 4637 1 12 . 1 1 32 32 ARG HA H 32 5.342 5.342 4.506 0.836 19178 4638 1 12 . 1 1 32 32 ARG C C 32 178.051 178.051 175.565 2.486 19178 4639 1 12 . 1 1 32 32 ARG CA C 32 54.543 54.543 54.367 0.176 19178 4640 1 12 . 1 1 32 32 ARG CB C 32 31.485 31.485 33.696 -2.211 19178 4641 1 12 . 1 1 32 32 ARG H H 32 8.223 8.223 8.208 0.015 19178 4642 1 12 . 1 1 33 33 CYS N N 33 125.750 125.750 121.061 4.689 19178 4643 1 12 . 1 1 33 33 CYS HA H 33 4.117 4.117 4.386 -0.269 19178 4644 1 12 . 1 1 33 33 CYS C C 33 175.978 175.978 176.881 -0.903 19178 4645 1 12 . 1 1 33 33 CYS CA C 33 60.620 60.620 58.841 1.779 19178 4646 1 12 . 1 1 33 33 CYS CB C 33 27.213 27.213 28.048 -0.835 19178 4647 1 12 . 1 1 33 33 CYS H H 33 8.314 8.314 8.631 -0.317 19178 4648 1 12 . 1 1 34 34 ARG N N 34 128.053 128.053 126.965 1.088 19178 4649 1 12 . 1 1 34 34 ARG HA H 34 3.926 3.926 4.113 -0.187 19178 4650 1 12 . 1 1 34 34 ARG C C 34 176.565 176.565 175.884 0.681 19178 4651 1 12 . 1 1 34 34 ARG CA C 34 58.719 58.719 58.432 0.287 19178 4652 1 12 . 1 1 34 34 ARG CB C 34 30.159 30.159 29.862 0.297 19178 4653 1 12 . 1 1 34 34 ARG H H 34 8.578 8.578 8.900 -0.322 19178 4654 1 12 . 1 1 35 35 ILE N N 35 122.502 122.502 116.225 6.277 19178 4655 1 12 . 1 1 35 35 ILE HA H 35 3.843 3.843 4.257 -0.414 19178 4656 1 12 . 1 1 35 35 ILE C C 35 176.028 176.028 175.105 0.923 19178 4657 1 12 . 1 1 35 35 ILE CA C 35 62.035 62.035 61.230 0.805 19178 4658 1 12 . 1 1 35 35 ILE CB C 35 39.125 39.125 38.681 0.444 19178 4659 1 12 . 1 1 35 35 ILE H H 35 8.932 8.932 7.643 1.289 19178 4660 1 12 . 1 1 36 36 HIS N N 36 121.974 121.974 115.702 6.272 19178 4661 1 12 . 1 1 36 36 HIS HA H 36 4.569 4.569 4.772 -0.203 19178 4662 1 12 . 1 1 36 36 HIS CB C 36 31.187 31.187 30.702 0.485 19178 4663 1 12 . 1 1 36 36 HIS H H 36 8.078 8.078 7.114 0.964 19178 4664 1 12 . 1 1 37 37 ASN N N 37 119.433 119.433 119.606 -0.173 19178 4665 1 12 . 1 1 37 37 ASN HA H 37 4.399 4.399 4.588 -0.189 19178 4666 1 12 . 1 1 37 37 ASN C C 37 173.906 173.906 176.077 -2.171 19178 4667 1 12 . 1 1 37 37 ASN CA C 37 56.407 56.407 53.523 2.884 19178 4668 1 12 . 1 1 37 37 ASN CB C 37 39.331 39.331 39.531 -0.200 19178 4669 1 12 . 1 1 37 37 ASN H H 37 8.386 8.386 8.423 -0.037 19178 4670 1 12 . 1 1 38 38 ASP N N 38 112.673 112.673 118.473 -5.800 19178 4671 1 12 . 1 1 38 38 ASP HA H 38 4.385 4.385 4.562 -0.177 19178 4672 1 12 . 1 1 38 38 ASP C C 38 175.841 175.841 175.651 0.190 19178 4673 1 12 . 1 1 38 38 ASP CA C 38 53.983 53.983 54.729 -0.746 19178 4674 1 12 . 1 1 38 38 ASP CB C 38 40.263 40.263 40.739 -0.476 19178 4675 1 12 . 1 1 38 38 ASP H H 38 8.880 8.880 8.371 0.509 19178 4676 1 12 . 1 1 39 39 VAL N N 39 124.385 124.385 119.637 4.748 19178 4677 1 12 . 1 1 39 39 VAL HA H 39 3.944 3.944 4.155 -0.211 19178 4678 1 12 . 1 1 39 39 VAL C C 39 173.731 173.731 173.848 -0.117 19178 4679 1 12 . 1 1 39 39 VAL CA C 39 63.514 63.514 61.249 2.264 19178 4680 1 12 . 1 1 39 39 VAL CB C 39 32.408 32.408 34.850 -2.442 19178 4681 1 12 . 1 1 39 39 VAL H H 39 8.253 8.253 7.375 0.878 19178 4682 1 12 . 1 1 40 40 ILE N N 40 128.130 128.130 124.547 3.583 19178 4683 1 12 . 1 1 40 40 ILE HA H 40 4.222 4.222 4.243 -0.021 19178 4684 1 12 . 1 1 40 40 ILE C C 40 174.090 174.090 173.735 0.355 19178 4685 1 12 . 1 1 40 40 ILE CA C 40 60.635 60.635 59.725 0.910 19178 4686 1 12 . 1 1 40 40 ILE CB C 40 38.281 38.281 39.315 -1.034 19178 4687 1 12 . 1 1 40 40 ILE H H 40 7.836 7.836 7.853 -0.017 19178 4688 1 12 . 1 1 41 41 LEU N N 41 124.924 124.924 126.897 -1.973 19178 4689 1 12 . 1 1 41 41 LEU HA H 41 4.884 4.884 4.677 0.207 19178 4690 1 12 . 1 1 41 41 LEU C C 41 175.989 175.989 175.177 0.812 19178 4691 1 12 . 1 1 41 41 LEU CA C 41 52.654 52.654 52.734 -0.080 19178 4692 1 12 . 1 1 41 41 LEU CB C 41 45.122 45.122 45.115 0.007 19178 4693 1 12 . 1 1 41 41 LEU H H 41 8.836 8.836 8.613 0.223 19178 4694 1 12 . 1 1 42 42 ASP N N 42 119.247 119.247 123.248 -4.001 19178 4695 1 12 . 1 1 42 42 ASP HA H 42 4.858 4.858 4.492 0.366 19178 4696 1 12 . 1 1 42 42 ASP C C 42 176.128 176.128 176.582 -0.454 19178 4697 1 12 . 1 1 42 42 ASP CA C 42 53.328 53.328 55.555 -2.227 19178 4698 1 12 . 1 1 42 42 ASP CB C 42 41.408 41.408 41.136 0.272 19178 4699 1 12 . 1 1 42 42 ASP H H 42 8.725 8.725 8.637 0.088 19178 4700 1 12 . 1 1 43 43 SER N N 43 123.344 123.344 120.501 2.843 19178 4701 1 12 . 1 1 43 43 SER HA H 43 4.178 4.178 4.412 -0.234 19178 4702 1 12 . 1 1 43 43 SER C C 43 176.291 176.291 175.461 0.830 19178 4703 1 12 . 1 1 43 43 SER CA C 43 60.431 60.431 59.347 1.084 19178 4704 1 12 . 1 1 43 43 SER CB C 43 64.943 64.943 63.452 1.492 19178 4705 1 12 . 1 1 43 43 SER H H 43 8.462 8.462 8.757 -0.295 19178 4706 1 12 . 1 1 44 44 GLY N N 44 112.184 112.184 109.420 2.764 19178 4707 1 12 . 1 1 44 44 GLY C C 44 174.525 174.525 173.810 0.715 19178 4708 1 12 . 1 1 44 44 GLY CA C 44 45.368 45.368 44.900 0.468 19178 4709 1 12 . 1 1 44 44 GLY H H 44 9.230 9.230 8.179 1.051 19178 4710 1 12 . 1 1 45 45 ASN N N 45 119.774 119.774 118.493 1.281 19178 4711 1 12 . 1 1 45 45 ASN HA H 45 4.681 4.681 4.940 -0.259 19178 4712 1 12 . 1 1 45 45 ASN C C 45 174.866 174.866 173.969 0.897 19178 4713 1 12 . 1 1 45 45 ASN CA C 45 52.807 52.807 52.097 0.710 19178 4714 1 12 . 1 1 45 45 ASN CB C 45 39.241 39.241 40.964 -1.723 19178 4715 1 12 . 1 1 45 45 ASN H H 45 8.486 8.486 8.043 0.443 19178 4716 1 12 . 1 1 46 46 ASP N N 46 120.223 120.223 121.725 -1.502 19178 4717 1 12 . 1 1 46 46 ASP HA H 46 4.367 4.367 4.566 -0.199 19178 4718 1 12 . 1 1 46 46 ASP C C 46 177.272 177.272 176.730 0.542 19178 4719 1 12 . 1 1 46 46 ASP CA C 46 54.869 54.869 54.983 -0.114 19178 4720 1 12 . 1 1 46 46 ASP CB C 46 42.461 42.461 40.799 1.662 19178 4721 1 12 . 1 1 46 46 ASP H H 46 8.387 8.387 8.406 -0.019 19178 4722 1 12 . 1 1 47 47 ALA N N 47 126.587 126.587 129.689 -3.102 19178 4723 1 12 . 1 1 47 47 ALA HA H 47 3.741 3.741 3.948 -0.207 19178 4724 1 12 . 1 1 47 47 ALA C C 47 177.980 177.980 177.875 0.105 19178 4725 1 12 . 1 1 47 47 ALA CA C 47 53.866 53.866 53.929 -0.063 19178 4726 1 12 . 1 1 47 47 ALA CB C 47 16.554 16.554 18.545 -1.991 19178 4727 1 12 . 1 1 47 47 ALA H H 47 8.747 8.747 8.517 0.230 19178 4728 1 12 . 1 1 48 48 SER N N 48 115.463 115.463 114.364 1.099 19178 4729 1 12 . 1 1 48 48 SER HA H 48 4.203 4.203 3.782 0.421 19178 4730 1 12 . 1 1 48 48 SER CA C 48 61.994 61.994 61.540 0.454 19178 4731 1 12 . 1 1 48 48 SER H H 48 8.973 8.973 8.245 0.728 19178 4732 1 12 . 1 1 49 49 SER C C 49 176.587 176.587 175.892 0.695 19178 4733 1 12 . 1 1 49 49 SER CA C 49 62.279 62.279 62.201 0.078 19178 4734 1 12 . 1 1 50 50 ALA N N 50 125.775 125.775 124.437 1.338 19178 4735 1 12 . 1 1 50 50 ALA HA H 50 4.076 4.076 4.146 -0.070 19178 4736 1 12 . 1 1 50 50 ALA C C 50 179.125 179.125 180.052 -0.927 19178 4737 1 12 . 1 1 50 50 ALA CA C 50 54.822 54.822 54.695 0.127 19178 4738 1 12 . 1 1 50 50 ALA CB C 50 18.834 18.834 18.349 0.485 19178 4739 1 12 . 1 1 50 50 ALA H H 50 7.620 7.620 7.580 0.040 19178 4740 1 12 . 1 1 51 51 TYR N N 51 117.562 117.562 117.942 -0.380 19178 4741 1 12 . 1 1 51 51 TYR HA H 51 4.275 4.275 4.126 0.149 19178 4742 1 12 . 1 1 51 51 TYR C C 51 179.622 179.622 178.335 1.287 19178 4743 1 12 . 1 1 51 51 TYR CA C 51 60.966 60.966 58.605 2.361 19178 4744 1 12 . 1 1 51 51 TYR CB C 51 36.803 36.803 37.179 -0.376 19178 4745 1 12 . 1 1 51 51 TYR H H 51 7.397 7.397 8.282 -0.885 19178 4746 1 12 . 1 1 52 52 LYS N N 52 121.441 121.441 121.068 0.373 19178 4747 1 12 . 1 1 52 52 LYS HA H 52 4.103 4.103 4.202 -0.099 19178 4748 1 12 . 1 1 52 52 LYS C C 52 179.041 179.041 178.962 0.079 19178 4749 1 12 . 1 1 52 52 LYS CA C 52 59.827 59.827 59.524 0.303 19178 4750 1 12 . 1 1 52 52 LYS H H 52 8.332 8.332 8.001 0.331 19178 4751 1 12 . 1 1 53 53 LEU N N 53 122.286 122.286 119.594 2.692 19178 4752 1 12 . 1 1 53 53 LEU HA H 53 4.376 4.376 4.016 0.360 19178 4753 1 12 . 1 1 53 53 LEU C C 53 178.373 178.373 179.457 -1.084 19178 4754 1 12 . 1 1 53 53 LEU CA C 53 57.863 57.863 57.764 0.099 19178 4755 1 12 . 1 1 53 53 LEU CB C 53 41.288 41.288 41.426 -0.138 19178 4756 1 12 . 1 1 53 53 LEU H H 53 7.671 7.671 8.257 -0.586 19178 4757 1 12 . 1 1 54 54 GLY N N 54 127.824 127.824 106.887 20.937 19178 4758 1 12 . 1 1 54 54 GLY C C 54 174.865 174.865 175.571 -0.706 19178 4759 1 12 . 1 1 54 54 GLY CA C 54 47.971 47.971 47.276 0.695 19178 4760 1 12 . 1 1 54 54 GLY H H 54 9.020 9.020 8.702 0.318 19178 4761 1 12 . 1 1 55 55 THR N N 55 117.961 117.961 117.030 0.931 19178 4762 1 12 . 1 1 55 55 THR HA H 55 4.445 4.445 4.123 0.322 19178 4763 1 12 . 1 1 55 55 THR C C 55 175.188 175.188 176.393 -1.205 19178 4764 1 12 . 1 1 55 55 THR CA C 55 67.593 67.593 66.566 1.027 19178 4765 1 12 . 1 1 55 55 THR H H 55 8.123 8.123 8.515 -0.392 19178 4766 1 12 . 1 1 56 56 TYR N N 56 122.294 122.294 123.317 -1.023 19178 4767 1 12 . 1 1 56 56 TYR HA H 56 4.346 4.346 4.338 0.009 19178 4768 1 12 . 1 1 56 56 TYR C C 56 177.909 177.909 176.422 1.487 19178 4769 1 12 . 1 1 56 56 TYR CA C 56 61.147 61.147 61.092 0.055 19178 4770 1 12 . 1 1 56 56 TYR CB C 56 37.981 37.981 38.772 -0.791 19178 4771 1 12 . 1 1 56 56 TYR H H 56 7.697 7.697 8.118 -0.421 19178 4772 1 12 . 1 1 57 57 LEU N N 57 118.703 118.703 119.238 -0.535 19178 4773 1 12 . 1 1 57 57 LEU HA H 57 3.914 3.914 3.738 0.176 19178 4774 1 12 . 1 1 57 57 LEU C C 57 180.087 180.087 178.298 1.789 19178 4775 1 12 . 1 1 57 57 LEU CA C 57 57.780 57.780 57.365 0.415 19178 4776 1 12 . 1 1 57 57 LEU CB C 57 42.026 42.026 41.522 0.504 19178 4777 1 12 . 1 1 57 57 LEU H H 57 8.909 8.909 8.068 0.841 19178 4778 1 12 . 1 1 58 58 TYR N N 58 120.667 120.667 116.994 3.673 19178 4779 1 12 . 1 1 58 58 TYR HA H 58 4.209 4.209 4.309 -0.100 19178 4780 1 12 . 1 1 58 58 TYR C C 58 177.511 177.511 176.576 0.935 19178 4781 1 12 . 1 1 58 58 TYR CA C 58 61.641 61.641 60.827 0.814 19178 4782 1 12 . 1 1 58 58 TYR H H 58 8.971 8.971 8.142 0.829 19178 4783 1 12 . 1 1 59 59 GLN N N 59 119.344 119.344 119.910 -0.566 19178 4784 1 12 . 1 1 59 59 GLN HA H 59 4.668 4.668 4.391 0.277 19178 4785 1 12 . 1 1 59 59 GLN C C 59 179.270 179.270 174.193 5.077 19178 4786 1 12 . 1 1 59 59 GLN H H 59 8.378 8.378 7.880 0.498 19178 4787 1 12 . 1 1 67 67 PHE HA H 67 4.852 4.852 4.558 0.294 19178 4788 1 12 . 1 1 67 67 PHE C C 67 175.889 175.889 176.269 -0.380 19178 4789 1 12 . 1 1 67 67 PHE CA C 67 55.576 55.576 57.565 -1.989 19178 4790 1 12 . 1 1 67 67 PHE CB C 67 42.444 42.444 39.466 2.978 19178 4791 1 12 . 1 1 68 68 ASN N N 68 120.775 120.775 120.487 0.288 19178 4792 1 12 . 1 1 68 68 ASN C C 68 175.338 175.338 174.496 0.842 19178 4793 1 12 . 1 1 68 68 ASN CA C 68 55.092 55.092 53.630 1.462 19178 4794 1 12 . 1 1 68 68 ASN CB C 68 40.006 40.006 39.449 0.557 19178 4795 1 12 . 1 1 68 68 ASN H H 68 9.560 9.560 8.111 1.449 19178 4796 1 12 . 1 1 69 69 THR N N 69 127.914 127.914 116.733 11.181 19178 4797 1 12 . 1 1 69 69 THR HA H 69 4.732 4.732 4.513 0.219 19178 4798 1 12 . 1 1 69 69 THR C C 69 173.530 173.530 174.929 -1.399 19178 4799 1 12 . 1 1 69 69 THR CA C 69 58.877 58.877 60.564 -1.687 19178 4800 1 12 . 1 1 69 69 THR CB C 69 73.620 73.620 70.511 3.109 19178 4801 1 12 . 1 1 69 69 THR H H 69 7.237 7.237 8.214 -0.977 19178 4802 1 12 . 1 1 70 70 LEU N N 70 122.013 122.013 126.029 -4.016 19178 4803 1 12 . 1 1 70 70 LEU HA H 70 3.005 3.005 4.196 -1.191 19178 4804 1 12 . 1 1 70 70 LEU C C 70 178.252 178.252 178.269 -0.017 19178 4805 1 12 . 1 1 70 70 LEU CA C 70 56.721 56.721 58.184 -1.463 19178 4806 1 12 . 1 1 70 70 LEU CB C 70 41.199 41.199 40.966 0.233 19178 4807 1 12 . 1 1 70 70 LEU H H 70 8.614 8.614 8.791 -0.177 19178 4808 1 12 . 1 1 71 71 THR N N 71 114.041 114.041 113.912 0.129 19178 4809 1 12 . 1 1 71 71 THR HA H 71 3.620 3.620 3.975 -0.355 19178 4810 1 12 . 1 1 71 71 THR C C 71 175.400 175.400 176.924 -1.524 19178 4811 1 12 . 1 1 71 71 THR CA C 71 66.405 66.405 66.637 -0.232 19178 4812 1 12 . 1 1 71 71 THR CB C 71 68.517 68.517 68.085 0.432 19178 4813 1 12 . 1 1 71 71 THR H H 71 7.694 7.694 8.150 -0.456 19178 4814 1 12 . 1 1 72 72 GLU N N 72 120.141 120.141 119.731 0.410 19178 4815 1 12 . 1 1 72 72 GLU HA H 72 3.997 3.997 4.115 -0.118 19178 4816 1 12 . 1 1 72 72 GLU C C 72 178.982 178.982 177.939 1.043 19178 4817 1 12 . 1 1 72 72 GLU CA C 72 59.250 59.250 58.758 0.492 19178 4818 1 12 . 1 1 72 72 GLU CB C 72 30.907 30.907 28.830 2.077 19178 4819 1 12 . 1 1 72 72 GLU H H 72 7.514 7.514 7.730 -0.216 19178 4820 1 12 . 1 1 73 73 ALA N N 73 123.400 123.400 123.220 0.180 19178 4821 1 12 . 1 1 73 73 ALA HA H 73 2.167 2.167 3.466 -1.299 19178 4822 1 12 . 1 1 73 73 ALA C C 73 178.959 178.959 179.204 -0.245 19178 4823 1 12 . 1 1 73 73 ALA CA C 73 54.323 54.323 55.154 -0.831 19178 4824 1 12 . 1 1 73 73 ALA CB C 73 17.561 17.561 18.430 -0.869 19178 4825 1 12 . 1 1 73 73 ALA H H 73 6.788 6.788 7.998 -1.210 19178 4826 1 12 . 1 1 74 74 ARG N N 74 116.272 116.272 117.540 -1.268 19178 4827 1 12 . 1 1 74 74 ARG HA H 74 3.887 3.887 3.829 0.058 19178 4828 1 12 . 1 1 74 74 ARG C C 74 179.230 179.230 178.085 1.145 19178 4829 1 12 . 1 1 74 74 ARG CA C 74 60.442 60.442 59.006 1.436 19178 4830 1 12 . 1 1 74 74 ARG CB C 74 29.878 29.878 29.783 0.095 19178 4831 1 12 . 1 1 74 74 ARG H H 74 8.145 8.145 8.374 -0.229 19178 4832 1 12 . 1 1 75 75 ASP N N 75 120.487 120.487 119.888 0.599 19178 4833 1 12 . 1 1 75 75 ASP HA H 75 4.446 4.446 4.381 0.065 19178 4834 1 12 . 1 1 75 75 ASP C C 75 178.040 178.040 177.706 0.334 19178 4835 1 12 . 1 1 75 75 ASP CA C 75 57.166 57.166 56.804 0.362 19178 4836 1 12 . 1 1 75 75 ASP CB C 75 39.687 39.687 40.816 -1.129 19178 4837 1 12 . 1 1 75 75 ASP H H 75 8.594 8.594 8.048 0.546 19178 4838 1 12 . 1 1 76 76 ALA N N 76 122.773 122.773 122.808 -0.035 19178 4839 1 12 . 1 1 76 76 ALA HA H 76 4.345 4.345 4.028 0.317 19178 4840 1 12 . 1 1 76 76 ALA C C 76 181.221 181.221 179.599 1.622 19178 4841 1 12 . 1 1 76 76 ALA CA C 76 55.245 55.245 55.301 -0.056 19178 4842 1 12 . 1 1 76 76 ALA CB C 76 18.316 18.316 18.672 -0.357 19178 4843 1 12 . 1 1 76 76 ALA H H 76 7.668 7.668 7.865 -0.197 19178 4844 1 12 . 1 1 77 77 ILE N N 77 120.254 120.254 118.170 2.084 19178 4845 1 12 . 1 1 77 77 ILE HA H 77 3.632 3.632 3.797 -0.165 19178 4846 1 12 . 1 1 77 77 ILE C C 77 176.567 176.567 177.901 -1.334 19178 4847 1 12 . 1 1 77 77 ILE CA C 77 66.365 66.365 65.204 1.161 19178 4848 1 12 . 1 1 77 77 ILE CB C 77 37.947 37.947 37.762 0.185 19178 4849 1 12 . 1 1 77 77 ILE H H 77 7.724 7.724 8.283 -0.559 19178 4850 1 12 . 1 1 78 78 LYS N N 78 122.773 122.773 120.452 2.321 19178 4851 1 12 . 1 1 78 78 LYS HA H 78 4.265 4.265 4.002 0.263 19178 4852 1 12 . 1 1 78 78 LYS C C 78 178.382 178.382 178.752 -0.370 19178 4853 1 12 . 1 1 78 78 LYS CA C 78 60.442 60.442 58.767 1.675 19178 4854 1 12 . 1 1 78 78 LYS CB C 78 33.021 33.021 31.681 1.340 19178 4855 1 12 . 1 1 78 78 LYS H H 78 8.465 8.465 8.195 0.270 19178 4856 1 12 . 1 1 79 79 ASP N N 79 118.165 118.165 120.069 -1.904 19178 4857 1 12 . 1 1 79 79 ASP HA H 79 4.353 4.353 4.416 -0.063 19178 4858 1 12 . 1 1 79 79 ASP C C 79 179.289 179.289 178.172 1.117 19178 4859 1 12 . 1 1 79 79 ASP CA C 79 57.245 57.245 57.377 -0.133 19178 4860 1 12 . 1 1 79 79 ASP H H 79 8.541 8.541 8.285 0.256 19178 4861 1 12 . 1 1 80 80 ALA N N 80 122.362 122.362 122.765 -0.403 19178 4862 1 12 . 1 1 80 80 ALA HA H 80 4.340 4.340 4.063 0.277 19178 4863 1 12 . 1 1 80 80 ALA C C 80 179.265 179.265 180.153 -0.888 19178 4864 1 12 . 1 1 80 80 ALA CA C 80 54.979 54.979 55.198 -0.219 19178 4865 1 12 . 1 1 80 80 ALA CB C 80 18.254 18.254 18.678 -0.424 19178 4866 1 12 . 1 1 80 80 ALA H H 80 7.727 7.727 8.055 -0.328 19178 4867 1 12 . 1 1 81 81 TYR N N 81 118.882 118.882 117.996 0.886 19178 4868 1 12 . 1 1 81 81 TYR HA H 81 4.115 4.115 4.336 -0.221 19178 4869 1 12 . 1 1 81 81 TYR C C 81 178.146 178.146 178.737 -0.591 19178 4870 1 12 . 1 1 81 81 TYR CA C 81 61.635 61.635 61.152 0.483 19178 4871 1 12 . 1 1 81 81 TYR CB C 81 38.115 38.115 38.216 -0.101 19178 4872 1 12 . 1 1 81 81 TYR H H 81 9.037 9.037 9.073 -0.036 19178 4873 1 12 . 1 1 82 82 GLU N N 82 116.630 116.630 118.011 -1.381 19178 4874 1 12 . 1 1 82 82 GLU HA H 82 3.816 3.816 4.099 -0.283 19178 4875 1 12 . 1 1 82 82 GLU C C 82 178.664 178.664 178.574 0.090 19178 4876 1 12 . 1 1 82 82 GLU CA C 82 59.304 59.304 58.507 0.797 19178 4877 1 12 . 1 1 82 82 GLU CB C 82 28.848 28.848 29.191 -0.343 19178 4878 1 12 . 1 1 82 82 GLU H H 82 8.854 8.854 8.586 0.268 19178 4879 1 12 . 1 1 83 83 SER N N 83 114.004 114.004 113.782 0.222 19178 4880 1 12 . 1 1 83 83 SER HA H 83 4.164 4.164 4.239 -0.075 19178 4881 1 12 . 1 1 83 83 SER C C 83 174.387 174.387 175.320 -0.933 19178 4882 1 12 . 1 1 83 83 SER CA C 83 61.038 61.038 60.601 0.437 19178 4883 1 12 . 1 1 83 83 SER CB C 83 63.152 63.152 62.901 0.251 19178 4884 1 12 . 1 1 83 83 SER H H 83 7.573 7.573 8.194 -0.621 19178 4885 1 12 . 1 1 84 84 TYR N N 84 117.323 117.323 118.804 -1.481 19178 4886 1 12 . 1 1 84 84 TYR HA H 84 4.595 4.595 4.787 -0.192 19178 4887 1 12 . 1 1 84 84 TYR C C 84 174.434 174.434 175.541 -1.107 19178 4888 1 12 . 1 1 84 84 TYR CA C 84 58.871 58.871 56.478 2.393 19178 4889 1 12 . 1 1 84 84 TYR CB C 84 41.746 41.746 39.139 2.607 19178 4890 1 12 . 1 1 84 84 TYR H H 84 7.319 7.319 7.981 -0.662 19178 4891 1 12 . 1 1 85 85 CYS N N 85 118.762 118.762 118.506 0.256 19178 4892 1 12 . 1 1 85 85 CYS HA H 85 3.940 3.940 4.326 -0.386 19178 4893 1 12 . 1 1 85 85 CYS C C 85 176.178 176.178 176.743 -0.565 19178 4894 1 12 . 1 1 85 85 CYS CA C 85 58.817 58.817 59.680 -0.863 19178 4895 1 12 . 1 1 85 85 CYS CB C 85 26.042 26.042 27.235 -1.193 19178 4896 1 12 . 1 1 85 85 CYS H H 85 7.670 7.670 8.035 -0.365 19178 4897 1 12 . 1 1 86 86 GLY N N 86 113.730 113.730 113.535 0.195 19178 4898 1 12 . 1 1 86 86 GLY C C 86 174.587 174.587 173.886 0.701 19178 4899 1 12 . 1 1 86 86 GLY CA C 86 45.214 45.214 45.010 0.205 19178 4900 1 12 . 1 1 86 86 GLY H H 86 10.799 10.799 8.635 2.164 19178 4901 1 12 . 1 1 87 87 ILE N N 87 122.743 122.743 123.529 -0.786 19178 4902 1 12 . 1 1 87 87 ILE HA H 87 4.291 4.291 4.267 0.024 19178 4903 1 12 . 1 1 87 87 ILE C C 87 174.340 174.340 175.172 -0.832 19178 4904 1 12 . 1 1 87 87 ILE CA C 87 60.968 60.968 61.235 -0.267 19178 4905 1 12 . 1 1 87 87 ILE CB C 87 35.512 35.512 38.804 -3.292 19178 4906 1 12 . 1 1 87 87 ILE H H 87 8.023 8.023 7.945 0.078 19178 4907 1 12 . 1 1 88 88 ASP N N 88 125.059 125.059 123.817 1.242 19178 4908 1 12 . 1 1 88 88 ASP HA H 88 4.750 4.750 4.592 0.158 19178 4909 1 12 . 1 1 88 88 ASP C C 88 175.895 175.895 175.105 0.790 19178 4910 1 12 . 1 1 88 88 ASP CA C 88 54.319 54.319 54.303 0.016 19178 4911 1 12 . 1 1 88 88 ASP CB C 88 41.692 41.692 43.232 -1.540 19178 4912 1 12 . 1 1 88 88 ASP H H 88 8.127 8.127 8.912 -0.785 19178 4913 1 12 . 1 1 89 89 ASP N N 89 117.971 117.971 117.834 0.137 19178 4914 1 12 . 1 1 89 89 ASP HA H 89 4.822 4.822 4.647 0.175 19178 4915 1 12 . 1 1 89 89 ASP C C 89 174.069 174.069 175.370 -1.301 19178 4916 1 12 . 1 1 89 89 ASP CA C 89 52.369 52.369 52.500 -0.131 19178 4917 1 12 . 1 1 89 89 ASP CB C 89 43.625 43.625 42.771 0.854 19178 4918 1 12 . 1 1 89 89 ASP H H 89 7.617 7.617 7.684 -0.067 19178 4919 1 12 . 1 1 90 90 CYS N N 90 126.238 126.238 121.026 5.212 19178 4920 1 12 . 1 1 90 90 CYS C C 90 175.636 175.636 175.480 0.156 19178 4921 1 12 . 1 1 90 90 CYS CA C 90 56.215 56.215 56.841 -0.626 19178 4922 1 12 . 1 1 90 90 CYS H H 90 8.936 8.936 8.479 0.457 19178 4923 1 12 . 1 1 91 91 PRO HA H 91 4.460 4.460 4.331 0.129 19178 4924 1 12 . 1 1 91 91 PRO C C 91 178.629 178.629 178.532 0.097 19178 4925 1 12 . 1 1 91 91 PRO CA C 91 64.614 64.614 65.157 -0.543 19178 4926 1 12 . 1 1 91 91 PRO CB C 91 32.208 32.208 32.022 0.186 19178 4927 1 12 . 1 1 92 92 GLN N N 92 119.363 119.363 118.187 1.176 19178 4928 1 12 . 1 1 92 92 GLN HA H 92 4.060 4.060 4.095 -0.035 19178 4929 1 12 . 1 1 92 92 GLN C C 92 178.181 178.181 178.149 0.032 19178 4930 1 12 . 1 1 92 92 GLN CA C 92 57.837 57.837 59.276 -1.439 19178 4931 1 12 . 1 1 92 92 GLN CB C 92 28.252 28.252 27.953 0.299 19178 4932 1 12 . 1 1 92 92 GLN H H 92 8.253 8.253 8.823 -0.570 19178 4933 1 12 . 1 1 93 93 CYS N N 93 124.725 124.725 116.434 8.291 19178 4934 1 12 . 1 1 93 93 CYS HA H 93 4.269 4.269 4.508 -0.239 19178 4935 1 12 . 1 1 93 93 CYS C C 93 177.180 177.180 176.338 0.842 19178 4936 1 12 . 1 1 93 93 CYS CA C 93 64.366 64.366 61.435 2.931 19178 4937 1 12 . 1 1 93 93 CYS CB C 93 30.379 30.379 26.613 3.766 19178 4938 1 12 . 1 1 93 93 CYS H H 93 8.581 8.581 7.832 0.749 19178 4939 1 12 . 1 1 94 94 SER N N 94 113.467 113.467 114.430 -0.963 19178 4940 1 12 . 1 1 94 94 SER HA H 94 4.277 4.277 4.362 -0.085 19178 4941 1 12 . 1 1 94 94 SER C C 94 174.481 174.481 175.838 -1.357 19178 4942 1 12 . 1 1 94 94 SER CA C 94 59.432 59.432 60.827 -1.395 19178 4943 1 12 . 1 1 94 94 SER CB C 94 63.217 63.217 62.720 0.497 19178 4944 1 12 . 1 1 94 94 SER H H 94 7.753 7.753 7.940 -0.187 19178 4945 1 12 . 1 1 95 95 LYS N N 95 121.369 121.369 121.783 -0.414 19178 4946 1 12 . 1 1 95 95 LYS HA H 95 4.211 4.211 4.257 -0.046 19178 4947 1 12 . 1 1 95 95 LYS C C 95 176.237 176.237 176.019 0.218 19178 4948 1 12 . 1 1 95 95 LYS CA C 95 56.622 56.622 57.211 -0.588 19178 4949 1 12 . 1 1 95 95 LYS CB C 95 32.756 32.756 34.063 -1.307 19178 4950 1 12 . 1 1 95 95 LYS H H 95 7.520 7.520 8.026 -0.506 19178 4951 1 12 . 1 1 96 96 TYR N N 96 121.000 121.000 120.309 0.691 19178 4952 1 12 . 1 1 96 96 TYR HA H 96 4.559 4.559 4.632 -0.073 19178 4953 1 12 . 1 1 96 96 TYR C C 96 175.577 175.577 173.752 1.825 19178 4954 1 12 . 1 1 96 96 TYR CA C 96 58.039 58.039 56.371 1.668 19178 4955 1 12 . 1 1 96 96 TYR CB C 96 38.694 38.694 40.860 -2.166 19178 4956 1 12 . 1 1 96 96 TYR H H 96 8.005 8.005 7.895 0.110 19178 4957 1 12 . 1 1 97 97 ILE N N 97 123.003 123.003 122.233 0.770 19178 4958 1 12 . 1 1 97 97 ILE HA H 97 4.120 4.120 3.962 0.158 19178 4959 1 12 . 1 1 97 97 ILE C C 97 175.194 175.194 174.661 0.533 19178 4960 1 12 . 1 1 97 97 ILE CA C 97 60.929 60.929 60.746 0.183 19178 4961 1 12 . 1 1 97 97 ILE CB C 97 39.044 39.044 38.712 0.333 19178 4962 1 12 . 1 1 97 97 ILE H H 97 7.832 7.832 7.985 -0.153 19178 4963 1 12 . 1 1 98 98 ASP N N 98 125.070 125.070 123.306 1.764 19178 4964 1 12 . 1 1 98 98 ASP HA H 98 4.627 4.627 4.437 0.190 19178 4965 1 12 . 1 1 98 98 ASP C C 98 174.976 174.976 175.548 -0.572 19178 4966 1 12 . 1 1 98 98 ASP CA C 98 54.184 54.184 52.309 1.875 19178 4967 1 12 . 1 1 98 98 ASP CB C 98 41.502 41.502 41.025 0.477 19178 4968 1 12 . 1 1 98 98 ASP H H 98 8.245 8.245 8.081 0.164 19178 4969 1 13 . 1 1 16 16 GLN HA H 16 4.330 4.330 4.125 0.205 19178 4970 1 13 . 1 1 17 17 GLU N N 17 119.126 119.126 119.654 -0.528 19178 4971 1 13 . 1 1 17 17 GLU HA H 17 4.329 4.329 4.150 0.179 19178 4972 1 13 . 1 1 17 17 GLU H H 17 8.422 8.422 9.007 -0.585 19178 4973 1 13 . 1 1 18 18 GLN N N 18 120.450 120.450 119.304 1.146 19178 4974 1 13 . 1 1 18 18 GLN HA H 18 4.081 4.081 4.144 -0.063 19178 4975 1 13 . 1 1 18 18 GLN H H 18 8.729 8.729 8.009 0.720 19178 4976 1 13 . 1 1 19 19 TRP N N 19 121.902 121.902 119.487 2.415 19178 4977 1 13 . 1 1 19 19 TRP HA H 19 4.125 4.125 4.376 -0.251 19178 4978 1 13 . 1 1 19 19 TRP C C 19 179.400 179.400 176.885 2.515 19178 4979 1 13 . 1 1 19 19 TRP CA C 19 62.361 62.361 60.379 1.982 19178 4980 1 13 . 1 1 19 19 TRP CB C 19 29.938 29.938 29.034 0.904 19178 4981 1 13 . 1 1 19 19 TRP H H 19 8.561 8.561 7.496 1.065 19178 4982 1 13 . 1 1 20 20 ALA N N 20 122.759 122.759 121.824 0.935 19178 4983 1 13 . 1 1 20 20 ALA HA H 20 3.815 3.815 3.717 0.098 19178 4984 1 13 . 1 1 20 20 ALA C C 20 180.433 180.433 179.375 1.058 19178 4985 1 13 . 1 1 20 20 ALA CA C 20 55.619 55.619 54.796 0.823 19178 4986 1 13 . 1 1 20 20 ALA CB C 20 18.474 18.474 18.627 -0.153 19178 4987 1 13 . 1 1 20 20 ALA H H 20 8.828 8.828 7.800 1.028 19178 4988 1 13 . 1 1 21 21 MET N N 21 117.474 117.474 117.397 0.077 19178 4989 1 13 . 1 1 21 21 MET HA H 21 4.479 4.479 3.950 0.529 19178 4990 1 13 . 1 1 21 21 MET C C 21 178.744 178.744 178.835 -0.091 19178 4991 1 13 . 1 1 21 21 MET CA C 21 56.778 56.778 59.252 -2.474 19178 4992 1 13 . 1 1 21 21 MET CB C 21 29.956 29.956 32.125 -2.169 19178 4993 1 13 . 1 1 21 21 MET H H 21 8.702 8.702 8.039 0.663 19178 4994 1 13 . 1 1 22 22 GLN N N 22 119.738 119.738 118.680 1.058 19178 4995 1 13 . 1 1 22 22 GLN HA H 22 4.025 4.025 3.841 0.184 19178 4996 1 13 . 1 1 22 22 GLN C C 22 180.104 180.104 178.662 1.442 19178 4997 1 13 . 1 1 22 22 GLN CA C 22 58.872 58.872 59.275 -0.403 19178 4998 1 13 . 1 1 22 22 GLN CB C 22 27.880 27.880 27.482 0.398 19178 4999 1 13 . 1 1 22 22 GLN H H 22 8.531 8.531 7.783 0.748 19178 5000 1 13 . 1 1 23 23 THR N N 23 117.049 117.049 116.218 0.831 19178 5001 1 13 . 1 1 23 23 THR HA H 23 3.715 3.715 3.891 -0.176 19178 5002 1 13 . 1 1 23 23 THR C C 23 177.477 177.477 176.625 0.852 19178 5003 1 13 . 1 1 23 23 THR CA C 23 66.380 66.380 65.440 0.940 19178 5004 1 13 . 1 1 23 23 THR CB C 23 67.579 67.579 68.442 -0.862 19178 5005 1 13 . 1 1 23 23 THR H H 23 7.752 7.752 7.677 0.075 19178 5006 1 13 . 1 1 24 24 LEU N N 24 125.735 125.735 121.877 3.858 19178 5007 1 13 . 1 1 24 24 LEU HA H 24 3.731 3.731 3.790 -0.059 19178 5008 1 13 . 1 1 24 24 LEU C C 24 178.544 178.544 179.431 -0.887 19178 5009 1 13 . 1 1 24 24 LEU CA C 24 58.882 58.882 58.349 0.533 19178 5010 1 13 . 1 1 24 24 LEU CB C 24 41.550 41.550 41.999 -0.449 19178 5011 1 13 . 1 1 24 24 LEU H H 24 7.886 7.886 7.683 0.203 19178 5012 1 13 . 1 1 25 25 MET N N 25 118.622 118.622 115.779 2.843 19178 5013 1 13 . 1 1 25 25 MET HA H 25 4.717 4.717 4.613 0.104 19178 5014 1 13 . 1 1 25 25 MET C C 25 181.465 181.465 178.414 3.051 19178 5015 1 13 . 1 1 25 25 MET CA C 25 55.604 55.604 57.606 -2.002 19178 5016 1 13 . 1 1 25 25 MET CB C 25 32.071 32.071 32.540 -0.469 19178 5017 1 13 . 1 1 25 25 MET H H 25 8.619 8.619 8.410 0.209 19178 5018 1 13 . 1 1 26 26 GLY N N 26 110.755 110.755 107.715 3.040 19178 5019 1 13 . 1 1 26 26 GLY C C 26 174.662 174.662 175.813 -1.151 19178 5020 1 13 . 1 1 26 26 GLY CA C 26 46.788 46.788 46.132 0.656 19178 5021 1 13 . 1 1 26 26 GLY H H 26 8.953 8.953 8.258 0.695 19178 5022 1 13 . 1 1 27 27 SER N N 27 109.977 109.977 116.286 -6.309 19178 5023 1 13 . 1 1 27 27 SER HA H 27 4.422 4.422 4.160 0.262 19178 5024 1 13 . 1 1 27 27 SER C C 27 175.612 175.612 175.318 0.294 19178 5025 1 13 . 1 1 27 27 SER CA C 27 58.309 58.309 58.870 -0.561 19178 5026 1 13 . 1 1 27 27 SER CB C 27 64.423 64.423 63.156 1.267 19178 5027 1 13 . 1 1 27 27 SER H H 27 7.335 7.335 7.724 -0.389 19178 5028 1 13 . 1 1 28 28 GLY N N 28 110.105 110.105 107.996 2.109 19178 5029 1 13 . 1 1 28 28 GLY C C 28 174.029 174.029 174.833 -0.804 19178 5030 1 13 . 1 1 28 28 GLY CA C 28 45.371 45.371 45.412 -0.041 19178 5031 1 13 . 1 1 28 28 GLY H H 28 7.536 7.536 7.698 -0.162 19178 5032 1 13 . 1 1 29 29 VAL N N 29 121.444 121.444 118.622 2.822 19178 5033 1 13 . 1 1 29 29 VAL HA H 29 4.720 4.720 4.015 0.705 19178 5034 1 13 . 1 1 29 29 VAL C C 29 177.149 177.149 176.158 0.991 19178 5035 1 13 . 1 1 29 29 VAL CA C 29 66.474 66.474 63.528 2.946 19178 5036 1 13 . 1 1 29 29 VAL CB C 29 32.694 32.694 32.161 0.533 19178 5037 1 13 . 1 1 29 29 VAL H H 29 7.738 7.738 7.627 0.111 19178 5038 1 13 . 1 1 30 30 LEU N N 30 115.594 115.594 115.958 -0.364 19178 5039 1 13 . 1 1 30 30 LEU HA H 30 5.349 5.349 4.123 1.226 19178 5040 1 13 . 1 1 30 30 LEU C C 30 174.427 174.427 174.837 -0.410 19178 5041 1 13 . 1 1 30 30 LEU CA C 30 52.231 52.231 53.545 -1.314 19178 5042 1 13 . 1 1 30 30 LEU CB C 30 43.525 43.525 43.492 0.034 19178 5043 1 13 . 1 1 30 30 LEU H H 30 7.090 7.090 7.171 -0.081 19178 5044 1 13 . 1 1 31 31 ALA N N 31 122.020 122.020 121.155 0.865 19178 5045 1 13 . 1 1 31 31 ALA HA H 31 4.539 4.539 4.693 -0.154 19178 5046 1 13 . 1 1 31 31 ALA C C 31 175.130 175.130 175.450 -0.320 19178 5047 1 13 . 1 1 31 31 ALA CA C 31 50.963 50.963 51.008 -0.045 19178 5048 1 13 . 1 1 31 31 ALA CB C 31 22.314 22.314 21.094 1.220 19178 5049 1 13 . 1 1 31 31 ALA H H 31 8.981 8.981 8.456 0.525 19178 5050 1 13 . 1 1 32 32 ARG N N 32 118.606 118.606 121.040 -2.434 19178 5051 1 13 . 1 1 32 32 ARG HA H 32 5.342 5.342 4.639 0.703 19178 5052 1 13 . 1 1 32 32 ARG C C 32 178.051 178.051 174.744 3.307 19178 5053 1 13 . 1 1 32 32 ARG CA C 32 54.543 54.543 54.377 0.166 19178 5054 1 13 . 1 1 32 32 ARG CB C 32 31.485 31.485 32.573 -1.088 19178 5055 1 13 . 1 1 32 32 ARG H H 32 8.223 8.223 8.169 0.054 19178 5056 1 13 . 1 1 33 33 CYS N N 33 125.750 125.750 120.778 4.972 19178 5057 1 13 . 1 1 33 33 CYS HA H 33 4.117 4.117 4.592 -0.475 19178 5058 1 13 . 1 1 33 33 CYS C C 33 175.978 175.978 176.476 -0.498 19178 5059 1 13 . 1 1 33 33 CYS CA C 33 60.620 60.620 58.569 2.051 19178 5060 1 13 . 1 1 33 33 CYS CB C 33 27.213 27.213 29.334 -2.121 19178 5061 1 13 . 1 1 33 33 CYS H H 33 8.314 8.314 8.487 -0.173 19178 5062 1 13 . 1 1 34 34 ARG N N 34 128.053 128.053 127.121 0.932 19178 5063 1 13 . 1 1 34 34 ARG HA H 34 3.926 3.926 4.120 -0.194 19178 5064 1 13 . 1 1 34 34 ARG C C 34 176.565 176.565 176.639 -0.074 19178 5065 1 13 . 1 1 34 34 ARG CA C 34 58.719 58.719 57.994 0.725 19178 5066 1 13 . 1 1 34 34 ARG CB C 34 30.159 30.159 29.474 0.685 19178 5067 1 13 . 1 1 34 34 ARG H H 34 8.578 8.578 8.769 -0.191 19178 5068 1 13 . 1 1 35 35 ILE N N 35 122.502 122.502 117.371 5.131 19178 5069 1 13 . 1 1 35 35 ILE HA H 35 3.843 3.843 3.998 -0.155 19178 5070 1 13 . 1 1 35 35 ILE C C 35 176.028 176.028 174.825 1.203 19178 5071 1 13 . 1 1 35 35 ILE CA C 35 62.035 62.035 60.778 1.257 19178 5072 1 13 . 1 1 35 35 ILE CB C 35 39.125 39.125 38.739 0.386 19178 5073 1 13 . 1 1 35 35 ILE H H 35 8.932 8.932 7.204 1.728 19178 5074 1 13 . 1 1 36 36 HIS N N 36 121.974 121.974 120.022 1.952 19178 5075 1 13 . 1 1 36 36 HIS HA H 36 4.569 4.569 4.867 -0.298 19178 5076 1 13 . 1 1 36 36 HIS CB C 36 31.187 31.187 29.457 1.730 19178 5077 1 13 . 1 1 36 36 HIS H H 36 8.078 8.078 7.522 0.556 19178 5078 1 13 . 1 1 37 37 ASN N N 37 119.433 119.433 120.616 -1.183 19178 5079 1 13 . 1 1 37 37 ASN HA H 37 4.399 4.399 4.590 -0.191 19178 5080 1 13 . 1 1 37 37 ASN C C 37 173.906 173.906 175.169 -1.263 19178 5081 1 13 . 1 1 37 37 ASN CA C 37 56.407 56.407 54.382 2.025 19178 5082 1 13 . 1 1 37 37 ASN CB C 37 39.331 39.331 39.506 -0.175 19178 5083 1 13 . 1 1 37 37 ASN H H 37 8.386 8.386 8.654 -0.268 19178 5084 1 13 . 1 1 38 38 ASP N N 38 112.673 112.673 119.856 -7.183 19178 5085 1 13 . 1 1 38 38 ASP HA H 38 4.385 4.385 4.645 -0.260 19178 5086 1 13 . 1 1 38 38 ASP C C 38 175.841 175.841 175.091 0.750 19178 5087 1 13 . 1 1 38 38 ASP CA C 38 53.983 53.983 54.083 -0.100 19178 5088 1 13 . 1 1 38 38 ASP CB C 38 40.263 40.263 41.124 -0.861 19178 5089 1 13 . 1 1 38 38 ASP H H 38 8.880 8.880 8.273 0.607 19178 5090 1 13 . 1 1 39 39 VAL N N 39 124.385 124.385 119.691 4.694 19178 5091 1 13 . 1 1 39 39 VAL HA H 39 3.944 3.944 3.886 0.058 19178 5092 1 13 . 1 1 39 39 VAL C C 39 173.731 173.731 174.590 -0.859 19178 5093 1 13 . 1 1 39 39 VAL CA C 39 63.514 63.514 62.159 1.355 19178 5094 1 13 . 1 1 39 39 VAL CB C 39 32.408 32.408 32.677 -0.269 19178 5095 1 13 . 1 1 39 39 VAL H H 39 8.253 8.253 7.622 0.631 19178 5096 1 13 . 1 1 40 40 ILE N N 40 128.130 128.130 125.192 2.938 19178 5097 1 13 . 1 1 40 40 ILE HA H 40 4.222 4.222 4.079 0.143 19178 5098 1 13 . 1 1 40 40 ILE C C 40 174.090 174.090 173.910 0.180 19178 5099 1 13 . 1 1 40 40 ILE CA C 40 60.635 60.635 59.465 1.170 19178 5100 1 13 . 1 1 40 40 ILE CB C 40 38.281 38.281 39.809 -1.528 19178 5101 1 13 . 1 1 40 40 ILE H H 40 7.836 7.836 7.458 0.378 19178 5102 1 13 . 1 1 41 41 LEU N N 41 124.924 124.924 129.250 -4.326 19178 5103 1 13 . 1 1 41 41 LEU HA H 41 4.884 4.884 4.812 0.072 19178 5104 1 13 . 1 1 41 41 LEU C C 41 175.989 175.989 175.172 0.817 19178 5105 1 13 . 1 1 41 41 LEU CA C 41 52.654 52.654 53.313 -0.659 19178 5106 1 13 . 1 1 41 41 LEU CB C 41 45.122 45.122 45.788 -0.666 19178 5107 1 13 . 1 1 41 41 LEU H H 41 8.836 8.836 8.713 0.124 19178 5108 1 13 . 1 1 42 42 ASP N N 42 119.247 119.247 120.683 -1.436 19178 5109 1 13 . 1 1 42 42 ASP HA H 42 4.858 4.858 4.672 0.186 19178 5110 1 13 . 1 1 42 42 ASP C C 42 176.128 176.128 175.992 0.136 19178 5111 1 13 . 1 1 42 42 ASP CA C 42 53.328 53.328 53.313 0.015 19178 5112 1 13 . 1 1 42 42 ASP CB C 42 41.408 41.408 42.201 -0.793 19178 5113 1 13 . 1 1 42 42 ASP H H 42 8.725 8.725 8.338 0.387 19178 5114 1 13 . 1 1 43 43 SER N N 43 123.344 123.344 122.185 1.159 19178 5115 1 13 . 1 1 43 43 SER HA H 43 4.178 4.178 4.526 -0.348 19178 5116 1 13 . 1 1 43 43 SER C C 43 176.291 176.291 175.527 0.764 19178 5117 1 13 . 1 1 43 43 SER CA C 43 60.431 60.431 58.564 1.867 19178 5118 1 13 . 1 1 43 43 SER CB C 43 64.943 64.943 64.019 0.924 19178 5119 1 13 . 1 1 43 43 SER H H 43 8.462 8.462 8.630 -0.168 19178 5120 1 13 . 1 1 44 44 GLY N N 44 112.184 112.184 109.480 2.704 19178 5121 1 13 . 1 1 44 44 GLY C C 44 174.525 174.525 174.335 0.190 19178 5122 1 13 . 1 1 44 44 GLY CA C 44 45.368 45.368 45.002 0.366 19178 5123 1 13 . 1 1 44 44 GLY H H 44 9.230 9.230 8.066 1.164 19178 5124 1 13 . 1 1 45 45 ASN N N 45 119.774 119.774 119.289 0.485 19178 5125 1 13 . 1 1 45 45 ASN HA H 45 4.681 4.681 4.519 0.162 19178 5126 1 13 . 1 1 45 45 ASN C C 45 174.866 174.866 174.860 0.006 19178 5127 1 13 . 1 1 45 45 ASN CA C 45 52.807 52.807 53.828 -1.021 19178 5128 1 13 . 1 1 45 45 ASN CB C 45 39.241 39.241 39.438 -0.197 19178 5129 1 13 . 1 1 45 45 ASN H H 45 8.486 8.486 7.870 0.616 19178 5130 1 13 . 1 1 46 46 ASP N N 46 120.223 120.223 119.607 0.616 19178 5131 1 13 . 1 1 46 46 ASP HA H 46 4.367 4.367 4.463 -0.096 19178 5132 1 13 . 1 1 46 46 ASP C C 46 177.272 177.272 176.414 0.858 19178 5133 1 13 . 1 1 46 46 ASP CA C 46 54.869 54.869 55.775 -0.906 19178 5134 1 13 . 1 1 46 46 ASP CB C 46 42.461 42.461 40.798 1.663 19178 5135 1 13 . 1 1 46 46 ASP H H 46 8.387 8.387 8.551 -0.164 19178 5136 1 13 . 1 1 47 47 ALA N N 47 126.587 126.587 128.887 -2.300 19178 5137 1 13 . 1 1 47 47 ALA HA H 47 3.741 3.741 3.850 -0.109 19178 5138 1 13 . 1 1 47 47 ALA C C 47 177.980 177.980 178.347 -0.367 19178 5139 1 13 . 1 1 47 47 ALA CA C 47 53.866 53.866 54.607 -0.741 19178 5140 1 13 . 1 1 47 47 ALA CB C 47 16.554 16.554 18.936 -2.382 19178 5141 1 13 . 1 1 47 47 ALA H H 47 8.747 8.747 8.512 0.235 19178 5142 1 13 . 1 1 48 48 SER N N 48 115.463 115.463 112.955 2.508 19178 5143 1 13 . 1 1 48 48 SER HA H 48 4.203 4.203 4.323 -0.120 19178 5144 1 13 . 1 1 48 48 SER CA C 48 61.994 61.994 61.094 0.900 19178 5145 1 13 . 1 1 48 48 SER H H 48 8.973 8.973 8.332 0.641 19178 5146 1 13 . 1 1 49 49 SER C C 49 176.587 176.587 176.046 0.541 19178 5147 1 13 . 1 1 49 49 SER CA C 49 62.279 62.279 61.019 1.260 19178 5148 1 13 . 1 1 50 50 ALA N N 50 125.775 125.775 124.482 1.293 19178 5149 1 13 . 1 1 50 50 ALA HA H 50 4.076 4.076 4.025 0.051 19178 5150 1 13 . 1 1 50 50 ALA C C 50 179.125 179.125 180.083 -0.958 19178 5151 1 13 . 1 1 50 50 ALA CA C 50 54.822 54.822 54.801 0.021 19178 5152 1 13 . 1 1 50 50 ALA CB C 50 18.834 18.834 18.206 0.628 19178 5153 1 13 . 1 1 50 50 ALA H H 50 7.620 7.620 7.245 0.375 19178 5154 1 13 . 1 1 51 51 TYR N N 51 117.562 117.562 116.644 0.918 19178 5155 1 13 . 1 1 51 51 TYR HA H 51 4.275 4.275 4.312 -0.037 19178 5156 1 13 . 1 1 51 51 TYR C C 51 179.622 179.622 178.216 1.406 19178 5157 1 13 . 1 1 51 51 TYR CA C 51 60.966 60.966 58.589 2.377 19178 5158 1 13 . 1 1 51 51 TYR CB C 51 36.803 36.803 37.147 -0.344 19178 5159 1 13 . 1 1 51 51 TYR H H 51 7.397 7.397 7.916 -0.519 19178 5160 1 13 . 1 1 52 52 LYS N N 52 121.441 121.441 122.448 -1.007 19178 5161 1 13 . 1 1 52 52 LYS HA H 52 4.103 4.103 3.858 0.245 19178 5162 1 13 . 1 1 52 52 LYS C C 52 179.041 179.041 178.525 0.516 19178 5163 1 13 . 1 1 52 52 LYS CA C 52 59.827 59.827 59.504 0.323 19178 5164 1 13 . 1 1 52 52 LYS H H 52 8.332 8.332 8.019 0.313 19178 5165 1 13 . 1 1 53 53 LEU N N 53 122.286 122.286 116.991 5.295 19178 5166 1 13 . 1 1 53 53 LEU HA H 53 4.376 4.376 4.114 0.262 19178 5167 1 13 . 1 1 53 53 LEU C C 53 178.373 178.373 178.625 -0.252 19178 5168 1 13 . 1 1 53 53 LEU CA C 53 57.863 57.863 57.971 -0.108 19178 5169 1 13 . 1 1 53 53 LEU CB C 53 41.288 41.288 41.565 -0.277 19178 5170 1 13 . 1 1 53 53 LEU H H 53 7.671 7.671 8.216 -0.545 19178 5171 1 13 . 1 1 54 54 GLY N N 54 127.824 127.824 107.785 20.039 19178 5172 1 13 . 1 1 54 54 GLY C C 54 174.865 174.865 175.633 -0.768 19178 5173 1 13 . 1 1 54 54 GLY CA C 54 47.971 47.971 47.689 0.282 19178 5174 1 13 . 1 1 54 54 GLY H H 54 9.020 9.020 8.487 0.533 19178 5175 1 13 . 1 1 55 55 THR N N 55 117.961 117.961 116.310 1.651 19178 5176 1 13 . 1 1 55 55 THR HA H 55 4.445 4.445 4.279 0.166 19178 5177 1 13 . 1 1 55 55 THR C C 55 175.188 175.188 176.904 -1.716 19178 5178 1 13 . 1 1 55 55 THR CA C 55 67.593 67.593 66.513 1.080 19178 5179 1 13 . 1 1 55 55 THR H H 55 8.123 8.123 8.434 -0.311 19178 5180 1 13 . 1 1 56 56 TYR N N 56 122.294 122.294 122.395 -0.101 19178 5181 1 13 . 1 1 56 56 TYR HA H 56 4.346 4.346 4.278 0.068 19178 5182 1 13 . 1 1 56 56 TYR C C 56 177.909 177.909 178.288 -0.379 19178 5183 1 13 . 1 1 56 56 TYR CA C 56 61.147 61.147 59.955 1.192 19178 5184 1 13 . 1 1 56 56 TYR CB C 56 37.981 37.981 37.870 0.111 19178 5185 1 13 . 1 1 56 56 TYR H H 56 7.697 7.697 8.054 -0.357 19178 5186 1 13 . 1 1 57 57 LEU N N 57 118.703 118.703 120.200 -1.497 19178 5187 1 13 . 1 1 57 57 LEU HA H 57 3.914 3.914 4.360 -0.446 19178 5188 1 13 . 1 1 57 57 LEU C C 57 180.087 180.087 178.548 1.539 19178 5189 1 13 . 1 1 57 57 LEU CA C 57 57.780 57.780 57.290 0.490 19178 5190 1 13 . 1 1 57 57 LEU CB C 57 42.026 42.026 42.286 -0.260 19178 5191 1 13 . 1 1 57 57 LEU H H 57 8.909 8.909 8.252 0.657 19178 5192 1 13 . 1 1 58 58 TYR N N 58 120.667 120.667 116.595 4.072 19178 5193 1 13 . 1 1 58 58 TYR HA H 58 4.209 4.209 4.145 0.064 19178 5194 1 13 . 1 1 58 58 TYR C C 58 177.511 177.511 178.448 -0.937 19178 5195 1 13 . 1 1 58 58 TYR CA C 58 61.641 61.641 60.564 1.077 19178 5196 1 13 . 1 1 58 58 TYR H H 58 8.971 8.971 8.196 0.775 19178 5197 1 13 . 1 1 59 59 GLN N N 59 119.344 119.344 116.237 3.107 19178 5198 1 13 . 1 1 59 59 GLN HA H 59 4.668 4.668 4.151 0.517 19178 5199 1 13 . 1 1 59 59 GLN C C 59 179.270 179.270 176.369 2.901 19178 5200 1 13 . 1 1 59 59 GLN H H 59 8.378 8.378 8.348 0.030 19178 5201 1 13 . 1 1 67 67 PHE HA H 67 4.852 4.852 4.666 0.186 19178 5202 1 13 . 1 1 67 67 PHE C C 67 175.889 175.889 175.027 0.862 19178 5203 1 13 . 1 1 67 67 PHE CA C 67 55.576 55.576 57.725 -2.149 19178 5204 1 13 . 1 1 67 67 PHE CB C 67 42.444 42.444 40.232 2.212 19178 5205 1 13 . 1 1 68 68 ASN N N 68 120.775 120.775 119.936 0.839 19178 5206 1 13 . 1 1 68 68 ASN C C 68 175.338 175.338 174.996 0.342 19178 5207 1 13 . 1 1 68 68 ASN CA C 68 55.092 55.092 53.344 1.748 19178 5208 1 13 . 1 1 68 68 ASN CB C 68 40.006 40.006 39.563 0.443 19178 5209 1 13 . 1 1 68 68 ASN H H 68 9.560 9.560 8.014 1.546 19178 5210 1 13 . 1 1 69 69 THR N N 69 127.914 127.914 114.892 13.022 19178 5211 1 13 . 1 1 69 69 THR HA H 69 4.732 4.732 4.245 0.487 19178 5212 1 13 . 1 1 69 69 THR C C 69 173.530 173.530 175.985 -2.455 19178 5213 1 13 . 1 1 69 69 THR CA C 69 58.877 58.877 61.352 -2.475 19178 5214 1 13 . 1 1 69 69 THR CB C 69 73.620 73.620 70.182 3.438 19178 5215 1 13 . 1 1 69 69 THR H H 69 7.237 7.237 8.195 -0.958 19178 5216 1 13 . 1 1 70 70 LEU N N 70 122.013 122.013 123.847 -1.834 19178 5217 1 13 . 1 1 70 70 LEU HA H 70 3.005 3.005 4.302 -1.297 19178 5218 1 13 . 1 1 70 70 LEU C C 70 178.252 178.252 177.387 0.865 19178 5219 1 13 . 1 1 70 70 LEU CA C 70 56.721 56.721 57.202 -0.481 19178 5220 1 13 . 1 1 70 70 LEU CB C 70 41.199 41.199 42.038 -0.839 19178 5221 1 13 . 1 1 70 70 LEU H H 70 8.614 8.614 8.557 0.057 19178 5222 1 13 . 1 1 71 71 THR N N 71 114.041 114.041 115.598 -1.557 19178 5223 1 13 . 1 1 71 71 THR HA H 71 3.620 3.620 3.846 -0.226 19178 5224 1 13 . 1 1 71 71 THR C C 71 175.400 175.400 176.342 -0.942 19178 5225 1 13 . 1 1 71 71 THR CA C 71 66.405 66.405 67.651 -1.246 19178 5226 1 13 . 1 1 71 71 THR CB C 71 68.517 68.517 68.337 0.180 19178 5227 1 13 . 1 1 71 71 THR H H 71 7.694 7.694 7.676 0.018 19178 5228 1 13 . 1 1 72 72 GLU N N 72 120.141 120.141 120.491 -0.350 19178 5229 1 13 . 1 1 72 72 GLU HA H 72 3.997 3.997 4.032 -0.035 19178 5230 1 13 . 1 1 72 72 GLU C C 72 178.982 178.982 177.688 1.294 19178 5231 1 13 . 1 1 72 72 GLU CA C 72 59.250 59.250 58.951 0.299 19178 5232 1 13 . 1 1 72 72 GLU CB C 72 30.907 30.907 29.030 1.877 19178 5233 1 13 . 1 1 72 72 GLU H H 72 7.514 7.514 7.754 -0.240 19178 5234 1 13 . 1 1 73 73 ALA N N 73 123.400 123.400 123.016 0.384 19178 5235 1 13 . 1 1 73 73 ALA HA H 73 2.167 2.167 3.572 -1.405 19178 5236 1 13 . 1 1 73 73 ALA C C 73 178.959 178.959 179.653 -0.694 19178 5237 1 13 . 1 1 73 73 ALA CA C 73 54.323 54.323 54.796 -0.473 19178 5238 1 13 . 1 1 73 73 ALA CB C 73 17.561 17.561 18.137 -0.576 19178 5239 1 13 . 1 1 73 73 ALA H H 73 6.788 6.788 7.742 -0.954 19178 5240 1 13 . 1 1 74 74 ARG N N 74 116.272 116.272 118.182 -1.910 19178 5241 1 13 . 1 1 74 74 ARG HA H 74 3.887 3.887 3.821 0.066 19178 5242 1 13 . 1 1 74 74 ARG C C 74 179.230 179.230 178.695 0.535 19178 5243 1 13 . 1 1 74 74 ARG CA C 74 60.442 60.442 59.487 0.955 19178 5244 1 13 . 1 1 74 74 ARG CB C 74 29.878 29.878 29.968 -0.090 19178 5245 1 13 . 1 1 74 74 ARG H H 74 8.145 8.145 8.367 -0.222 19178 5246 1 13 . 1 1 75 75 ASP N N 75 120.487 120.487 118.870 1.617 19178 5247 1 13 . 1 1 75 75 ASP HA H 75 4.446 4.446 4.475 -0.029 19178 5248 1 13 . 1 1 75 75 ASP C C 75 178.040 178.040 177.750 0.290 19178 5249 1 13 . 1 1 75 75 ASP CA C 75 57.166 57.166 56.826 0.340 19178 5250 1 13 . 1 1 75 75 ASP CB C 75 39.687 39.687 40.228 -0.541 19178 5251 1 13 . 1 1 75 75 ASP H H 75 8.594 8.594 8.074 0.520 19178 5252 1 13 . 1 1 76 76 ALA N N 76 122.773 122.773 123.061 -0.288 19178 5253 1 13 . 1 1 76 76 ALA HA H 76 4.345 4.345 4.106 0.239 19178 5254 1 13 . 1 1 76 76 ALA C C 76 181.221 181.221 179.442 1.779 19178 5255 1 13 . 1 1 76 76 ALA CA C 76 55.245 55.245 55.105 0.140 19178 5256 1 13 . 1 1 76 76 ALA CB C 76 18.316 18.316 18.549 -0.233 19178 5257 1 13 . 1 1 76 76 ALA H H 76 7.668 7.668 7.970 -0.302 19178 5258 1 13 . 1 1 77 77 ILE N N 77 120.254 120.254 117.209 3.045 19178 5259 1 13 . 1 1 77 77 ILE HA H 77 3.632 3.632 3.765 -0.133 19178 5260 1 13 . 1 1 77 77 ILE C C 77 176.567 176.567 177.920 -1.353 19178 5261 1 13 . 1 1 77 77 ILE CA C 77 66.365 66.365 65.199 1.166 19178 5262 1 13 . 1 1 77 77 ILE CB C 77 37.947 37.947 37.651 0.295 19178 5263 1 13 . 1 1 77 77 ILE H H 77 7.724 7.724 8.246 -0.522 19178 5264 1 13 . 1 1 78 78 LYS N N 78 122.773 122.773 119.974 2.799 19178 5265 1 13 . 1 1 78 78 LYS HA H 78 4.265 4.265 4.075 0.190 19178 5266 1 13 . 1 1 78 78 LYS C C 78 178.382 178.382 179.178 -0.796 19178 5267 1 13 . 1 1 78 78 LYS CA C 78 60.442 60.442 59.167 1.275 19178 5268 1 13 . 1 1 78 78 LYS CB C 78 33.021 33.021 31.552 1.470 19178 5269 1 13 . 1 1 78 78 LYS H H 78 8.465 8.465 8.220 0.245 19178 5270 1 13 . 1 1 79 79 ASP N N 79 118.165 118.165 120.716 -2.551 19178 5271 1 13 . 1 1 79 79 ASP HA H 79 4.353 4.353 4.558 -0.205 19178 5272 1 13 . 1 1 79 79 ASP C C 79 179.289 179.289 178.431 0.858 19178 5273 1 13 . 1 1 79 79 ASP CA C 79 57.245 57.245 57.053 0.192 19178 5274 1 13 . 1 1 79 79 ASP H H 79 8.541 8.541 8.328 0.213 19178 5275 1 13 . 1 1 80 80 ALA N N 80 122.362 122.362 123.279 -0.917 19178 5276 1 13 . 1 1 80 80 ALA HA H 80 4.340 4.340 4.195 0.145 19178 5277 1 13 . 1 1 80 80 ALA C C 80 179.265 179.265 179.809 -0.544 19178 5278 1 13 . 1 1 80 80 ALA CA C 80 54.979 54.979 55.489 -0.510 19178 5279 1 13 . 1 1 80 80 ALA CB C 80 18.254 18.254 18.728 -0.474 19178 5280 1 13 . 1 1 80 80 ALA H H 80 7.727 7.727 8.162 -0.435 19178 5281 1 13 . 1 1 81 81 TYR N N 81 118.882 118.882 118.505 0.377 19178 5282 1 13 . 1 1 81 81 TYR HA H 81 4.115 4.115 4.187 -0.072 19178 5283 1 13 . 1 1 81 81 TYR C C 81 178.146 178.146 178.458 -0.312 19178 5284 1 13 . 1 1 81 81 TYR CA C 81 61.635 61.635 60.619 1.016 19178 5285 1 13 . 1 1 81 81 TYR CB C 81 38.115 38.115 38.067 0.048 19178 5286 1 13 . 1 1 81 81 TYR H H 81 9.037 9.037 8.992 0.045 19178 5287 1 13 . 1 1 82 82 GLU N N 82 116.630 116.630 117.474 -0.844 19178 5288 1 13 . 1 1 82 82 GLU HA H 82 3.816 3.816 4.118 -0.302 19178 5289 1 13 . 1 1 82 82 GLU C C 82 178.664 178.664 178.185 0.479 19178 5290 1 13 . 1 1 82 82 GLU CA C 82 59.304 59.304 58.573 0.731 19178 5291 1 13 . 1 1 82 82 GLU CB C 82 28.848 28.848 28.737 0.111 19178 5292 1 13 . 1 1 82 82 GLU H H 82 8.854 8.854 8.218 0.636 19178 5293 1 13 . 1 1 83 83 SER N N 83 114.004 114.004 114.979 -0.975 19178 5294 1 13 . 1 1 83 83 SER HA H 83 4.164 4.164 4.226 -0.062 19178 5295 1 13 . 1 1 83 83 SER C C 83 174.387 174.387 175.687 -1.300 19178 5296 1 13 . 1 1 83 83 SER CA C 83 61.038 61.038 60.502 0.536 19178 5297 1 13 . 1 1 83 83 SER CB C 83 63.152 63.152 63.722 -0.570 19178 5298 1 13 . 1 1 83 83 SER H H 83 7.573 7.573 8.266 -0.693 19178 5299 1 13 . 1 1 84 84 TYR N N 84 117.323 117.323 118.249 -0.926 19178 5300 1 13 . 1 1 84 84 TYR HA H 84 4.595 4.595 4.685 -0.090 19178 5301 1 13 . 1 1 84 84 TYR C C 84 174.434 174.434 175.573 -1.139 19178 5302 1 13 . 1 1 84 84 TYR CA C 84 58.871 58.871 57.830 1.041 19178 5303 1 13 . 1 1 84 84 TYR CB C 84 41.746 41.746 39.128 2.618 19178 5304 1 13 . 1 1 84 84 TYR H H 84 7.319 7.319 8.135 -0.816 19178 5305 1 13 . 1 1 85 85 CYS N N 85 118.762 118.762 119.379 -0.617 19178 5306 1 13 . 1 1 85 85 CYS HA H 85 3.940 3.940 4.082 -0.142 19178 5307 1 13 . 1 1 85 85 CYS C C 85 176.178 176.178 176.082 0.096 19178 5308 1 13 . 1 1 85 85 CYS CA C 85 58.817 58.817 61.828 -3.011 19178 5309 1 13 . 1 1 85 85 CYS CB C 85 26.042 26.042 28.158 -2.116 19178 5310 1 13 . 1 1 85 85 CYS H H 85 7.670 7.670 8.178 -0.508 19178 5311 1 13 . 1 1 86 86 GLY N N 86 113.730 113.730 116.039 -2.309 19178 5312 1 13 . 1 1 86 86 GLY C C 86 174.587 174.587 173.951 0.636 19178 5313 1 13 . 1 1 86 86 GLY CA C 86 45.214 45.214 44.984 0.230 19178 5314 1 13 . 1 1 86 86 GLY H H 86 10.799 10.799 8.899 1.900 19178 5315 1 13 . 1 1 87 87 ILE N N 87 122.743 122.743 121.547 1.196 19178 5316 1 13 . 1 1 87 87 ILE HA H 87 4.291 4.291 4.351 -0.060 19178 5317 1 13 . 1 1 87 87 ILE C C 87 174.340 174.340 173.969 0.371 19178 5318 1 13 . 1 1 87 87 ILE CA C 87 60.968 60.968 60.766 0.202 19178 5319 1 13 . 1 1 87 87 ILE CB C 87 35.512 35.512 39.081 -3.569 19178 5320 1 13 . 1 1 87 87 ILE H H 87 8.023 8.023 7.468 0.555 19178 5321 1 13 . 1 1 88 88 ASP N N 88 125.059 125.059 125.586 -0.527 19178 5322 1 13 . 1 1 88 88 ASP HA H 88 4.750 4.750 4.787 -0.037 19178 5323 1 13 . 1 1 88 88 ASP C C 88 175.895 175.895 174.885 1.010 19178 5324 1 13 . 1 1 88 88 ASP CA C 88 54.319 54.319 53.907 0.412 19178 5325 1 13 . 1 1 88 88 ASP CB C 88 41.692 41.692 42.198 -0.506 19178 5326 1 13 . 1 1 88 88 ASP H H 88 8.127 8.127 8.897 -0.770 19178 5327 1 13 . 1 1 89 89 ASP N N 89 117.971 117.971 118.142 -0.171 19178 5328 1 13 . 1 1 89 89 ASP HA H 89 4.822 4.822 4.631 0.191 19178 5329 1 13 . 1 1 89 89 ASP C C 89 174.069 174.069 174.653 -0.584 19178 5330 1 13 . 1 1 89 89 ASP CA C 89 52.369 52.369 52.812 -0.443 19178 5331 1 13 . 1 1 89 89 ASP CB C 89 43.625 43.625 43.193 0.432 19178 5332 1 13 . 1 1 89 89 ASP H H 89 7.617 7.617 7.673 -0.056 19178 5333 1 13 . 1 1 90 90 CYS N N 90 126.238 126.238 121.788 4.450 19178 5334 1 13 . 1 1 90 90 CYS C C 90 175.636 175.636 175.230 0.406 19178 5335 1 13 . 1 1 90 90 CYS CA C 90 56.215 56.215 56.207 0.008 19178 5336 1 13 . 1 1 90 90 CYS H H 90 8.936 8.936 8.525 0.411 19178 5337 1 13 . 1 1 91 91 PRO HA H 91 4.460 4.460 4.356 0.104 19178 5338 1 13 . 1 1 91 91 PRO C C 91 178.629 178.629 178.199 0.430 19178 5339 1 13 . 1 1 91 91 PRO CA C 91 64.614 64.614 64.720 -0.106 19178 5340 1 13 . 1 1 91 91 PRO CB C 91 32.208 32.208 32.268 -0.060 19178 5341 1 13 . 1 1 92 92 GLN N N 92 119.363 119.363 118.946 0.417 19178 5342 1 13 . 1 1 92 92 GLN HA H 92 4.060 4.060 4.105 -0.045 19178 5343 1 13 . 1 1 92 92 GLN C C 92 178.181 178.181 178.284 -0.103 19178 5344 1 13 . 1 1 92 92 GLN CA C 92 57.837 57.837 59.957 -2.120 19178 5345 1 13 . 1 1 92 92 GLN CB C 92 28.252 28.252 27.578 0.675 19178 5346 1 13 . 1 1 92 92 GLN H H 92 8.253 8.253 8.530 -0.278 19178 5347 1 13 . 1 1 93 93 CYS N N 93 124.725 124.725 115.251 9.474 19178 5348 1 13 . 1 1 93 93 CYS HA H 93 4.269 4.269 4.356 -0.087 19178 5349 1 13 . 1 1 93 93 CYS C C 93 177.180 177.180 175.959 1.221 19178 5350 1 13 . 1 1 93 93 CYS CA C 93 64.366 64.366 61.621 2.745 19178 5351 1 13 . 1 1 93 93 CYS CB C 93 30.379 30.379 26.462 3.917 19178 5352 1 13 . 1 1 93 93 CYS H H 93 8.581 8.581 8.209 0.372 19178 5353 1 13 . 1 1 94 94 SER N N 94 113.467 113.467 112.534 0.933 19178 5354 1 13 . 1 1 94 94 SER HA H 94 4.277 4.277 4.405 -0.128 19178 5355 1 13 . 1 1 94 94 SER C C 94 174.481 174.481 175.633 -1.152 19178 5356 1 13 . 1 1 94 94 SER CA C 94 59.432 59.432 60.173 -0.741 19178 5357 1 13 . 1 1 94 94 SER CB C 94 63.217 63.217 63.435 -0.219 19178 5358 1 13 . 1 1 94 94 SER H H 94 7.753 7.753 7.702 0.051 19178 5359 1 13 . 1 1 95 95 LYS N N 95 121.369 121.369 121.194 0.175 19178 5360 1 13 . 1 1 95 95 LYS HA H 95 4.211 4.211 4.171 0.040 19178 5361 1 13 . 1 1 95 95 LYS C C 95 176.237 176.237 176.780 -0.543 19178 5362 1 13 . 1 1 95 95 LYS CA C 95 56.622 56.622 57.149 -0.527 19178 5363 1 13 . 1 1 95 95 LYS CB C 95 32.756 32.756 33.170 -0.414 19178 5364 1 13 . 1 1 95 95 LYS H H 95 7.520 7.520 7.621 -0.101 19178 5365 1 13 . 1 1 96 96 TYR N N 96 121.000 121.000 121.968 -0.968 19178 5366 1 13 . 1 1 96 96 TYR HA H 96 4.559 4.559 4.257 0.302 19178 5367 1 13 . 1 1 96 96 TYR C C 96 175.577 175.577 174.719 0.858 19178 5368 1 13 . 1 1 96 96 TYR CA C 96 58.039 58.039 60.030 -1.991 19178 5369 1 13 . 1 1 96 96 TYR CB C 96 38.694 38.694 37.858 0.836 19178 5370 1 13 . 1 1 96 96 TYR H H 96 8.005 8.005 7.941 0.064 19178 5371 1 13 . 1 1 97 97 ILE N N 97 123.003 123.003 126.835 -3.832 19178 5372 1 13 . 1 1 97 97 ILE HA H 97 4.120 4.120 4.235 -0.115 19178 5373 1 13 . 1 1 97 97 ILE C C 97 175.194 175.194 174.401 0.793 19178 5374 1 13 . 1 1 97 97 ILE CA C 97 60.929 60.929 59.225 1.704 19178 5375 1 13 . 1 1 97 97 ILE CB C 97 39.044 39.044 42.163 -3.119 19178 5376 1 13 . 1 1 97 97 ILE H H 97 7.832 7.832 7.750 0.082 19178 5377 1 13 . 1 1 98 98 ASP N N 98 125.070 125.070 127.195 -2.125 19178 5378 1 13 . 1 1 98 98 ASP HA H 98 4.627 4.627 4.576 0.051 19178 5379 1 13 . 1 1 98 98 ASP C C 98 174.976 174.976 175.753 -0.777 19178 5380 1 13 . 1 1 98 98 ASP CA C 98 54.184 54.184 53.483 0.701 19178 5381 1 13 . 1 1 98 98 ASP CB C 98 41.502 41.502 40.170 1.332 19178 5382 1 13 . 1 1 98 98 ASP H H 98 8.245 8.245 8.150 0.095 19178 5383 1 14 . 1 1 16 16 GLN HA H 16 4.330 4.330 4.099 0.231 19178 5384 1 14 . 1 1 17 17 GLU N N 17 119.126 119.126 120.054 -0.928 19178 5385 1 14 . 1 1 17 17 GLU HA H 17 4.329 4.329 4.156 0.173 19178 5386 1 14 . 1 1 17 17 GLU H H 17 8.422 8.422 8.847 -0.425 19178 5387 1 14 . 1 1 18 18 GLN N N 18 120.450 120.450 118.682 1.768 19178 5388 1 14 . 1 1 18 18 GLN HA H 18 4.081 4.081 4.183 -0.102 19178 5389 1 14 . 1 1 18 18 GLN H H 18 8.729 8.729 8.575 0.154 19178 5390 1 14 . 1 1 19 19 TRP N N 19 121.902 121.902 120.820 1.082 19178 5391 1 14 . 1 1 19 19 TRP HA H 19 4.125 4.125 4.321 -0.196 19178 5392 1 14 . 1 1 19 19 TRP C C 19 179.400 179.400 178.310 1.090 19178 5393 1 14 . 1 1 19 19 TRP CA C 19 62.361 62.361 61.161 1.200 19178 5394 1 14 . 1 1 19 19 TRP CB C 19 29.938 29.938 29.255 0.683 19178 5395 1 14 . 1 1 19 19 TRP H H 19 8.561 8.561 8.473 0.088 19178 5396 1 14 . 1 1 20 20 ALA N N 20 122.759 122.759 122.279 0.480 19178 5397 1 14 . 1 1 20 20 ALA HA H 20 3.815 3.815 4.011 -0.196 19178 5398 1 14 . 1 1 20 20 ALA C C 20 180.433 180.433 179.206 1.227 19178 5399 1 14 . 1 1 20 20 ALA CA C 20 55.619 55.619 54.698 0.921 19178 5400 1 14 . 1 1 20 20 ALA CB C 20 18.474 18.474 18.406 0.068 19178 5401 1 14 . 1 1 20 20 ALA H H 20 8.828 8.828 7.668 1.160 19178 5402 1 14 . 1 1 21 21 MET N N 21 117.474 117.474 116.052 1.422 19178 5403 1 14 . 1 1 21 21 MET HA H 21 4.479 4.479 4.065 0.414 19178 5404 1 14 . 1 1 21 21 MET C C 21 178.744 178.744 178.028 0.716 19178 5405 1 14 . 1 1 21 21 MET CA C 21 56.778 56.778 58.472 -1.694 19178 5406 1 14 . 1 1 21 21 MET CB C 21 29.956 29.956 31.959 -2.003 19178 5407 1 14 . 1 1 21 21 MET H H 21 8.702 8.702 7.785 0.917 19178 5408 1 14 . 1 1 22 22 GLN N N 22 119.738 119.738 119.668 0.070 19178 5409 1 14 . 1 1 22 22 GLN HA H 22 4.025 4.025 3.861 0.164 19178 5410 1 14 . 1 1 22 22 GLN C C 22 180.104 180.104 178.107 1.997 19178 5411 1 14 . 1 1 22 22 GLN CA C 22 58.872 58.872 58.912 -0.040 19178 5412 1 14 . 1 1 22 22 GLN CB C 22 27.880 27.880 28.095 -0.215 19178 5413 1 14 . 1 1 22 22 GLN H H 22 8.531 8.531 7.419 1.112 19178 5414 1 14 . 1 1 23 23 THR N N 23 117.049 117.049 115.962 1.087 19178 5415 1 14 . 1 1 23 23 THR HA H 23 3.715 3.715 3.870 -0.155 19178 5416 1 14 . 1 1 23 23 THR C C 23 177.477 177.477 176.724 0.753 19178 5417 1 14 . 1 1 23 23 THR CA C 23 66.380 66.380 65.398 0.982 19178 5418 1 14 . 1 1 23 23 THR CB C 23 67.579 67.579 68.351 -0.772 19178 5419 1 14 . 1 1 23 23 THR H H 23 7.752 7.752 8.106 -0.354 19178 5420 1 14 . 1 1 24 24 LEU N N 24 125.735 125.735 122.876 2.859 19178 5421 1 14 . 1 1 24 24 LEU HA H 24 3.731 3.731 3.921 -0.190 19178 5422 1 14 . 1 1 24 24 LEU C C 24 178.544 178.544 180.060 -1.516 19178 5423 1 14 . 1 1 24 24 LEU CA C 24 58.882 58.882 58.629 0.253 19178 5424 1 14 . 1 1 24 24 LEU CB C 24 41.550 41.550 41.991 -0.441 19178 5425 1 14 . 1 1 24 24 LEU H H 24 7.886 7.886 7.460 0.426 19178 5426 1 14 . 1 1 25 25 MET N N 25 118.622 118.622 116.393 2.229 19178 5427 1 14 . 1 1 25 25 MET HA H 25 4.717 4.717 4.177 0.540 19178 5428 1 14 . 1 1 25 25 MET C C 25 181.465 181.465 179.019 2.446 19178 5429 1 14 . 1 1 25 25 MET CA C 25 55.604 55.604 58.635 -3.031 19178 5430 1 14 . 1 1 25 25 MET CB C 25 32.071 32.071 32.235 -0.164 19178 5431 1 14 . 1 1 25 25 MET H H 25 8.619 8.619 8.578 0.041 19178 5432 1 14 . 1 1 26 26 GLY N N 26 110.755 110.755 105.982 4.773 19178 5433 1 14 . 1 1 26 26 GLY C C 26 174.662 174.662 175.248 -0.586 19178 5434 1 14 . 1 1 26 26 GLY CA C 26 46.788 46.788 45.916 0.872 19178 5435 1 14 . 1 1 26 26 GLY H H 26 8.953 8.953 8.231 0.722 19178 5436 1 14 . 1 1 27 27 SER N N 27 109.977 109.977 116.641 -6.664 19178 5437 1 14 . 1 1 27 27 SER HA H 27 4.422 4.422 4.280 0.142 19178 5438 1 14 . 1 1 27 27 SER C C 27 175.612 175.612 175.451 0.161 19178 5439 1 14 . 1 1 27 27 SER CA C 27 58.309 58.309 59.843 -1.534 19178 5440 1 14 . 1 1 27 27 SER CB C 27 64.423 64.423 63.770 0.653 19178 5441 1 14 . 1 1 27 27 SER H H 27 7.335 7.335 8.115 -0.780 19178 5442 1 14 . 1 1 28 28 GLY N N 28 110.105 110.105 107.891 2.214 19178 5443 1 14 . 1 1 28 28 GLY C C 28 174.029 174.029 175.146 -1.117 19178 5444 1 14 . 1 1 28 28 GLY CA C 28 45.371 45.371 45.460 -0.089 19178 5445 1 14 . 1 1 28 28 GLY H H 28 7.536 7.536 7.675 -0.139 19178 5446 1 14 . 1 1 29 29 VAL N N 29 121.444 121.444 120.783 0.661 19178 5447 1 14 . 1 1 29 29 VAL HA H 29 4.720 4.720 3.719 1.001 19178 5448 1 14 . 1 1 29 29 VAL C C 29 177.149 177.149 175.578 1.571 19178 5449 1 14 . 1 1 29 29 VAL CA C 29 66.474 66.474 64.784 1.690 19178 5450 1 14 . 1 1 29 29 VAL CB C 29 32.694 32.694 32.353 0.341 19178 5451 1 14 . 1 1 29 29 VAL H H 29 7.738 7.738 7.987 -0.249 19178 5452 1 14 . 1 1 30 30 LEU N N 30 115.594 115.594 117.273 -1.679 19178 5453 1 14 . 1 1 30 30 LEU HA H 30 5.349 5.349 4.230 1.119 19178 5454 1 14 . 1 1 30 30 LEU C C 30 174.427 174.427 175.036 -0.609 19178 5455 1 14 . 1 1 30 30 LEU CA C 30 52.231 52.231 53.449 -1.218 19178 5456 1 14 . 1 1 30 30 LEU CB C 30 43.525 43.525 43.839 -0.314 19178 5457 1 14 . 1 1 30 30 LEU H H 30 7.090 7.090 7.433 -0.343 19178 5458 1 14 . 1 1 31 31 ALA N N 31 122.020 122.020 121.129 0.891 19178 5459 1 14 . 1 1 31 31 ALA HA H 31 4.539 4.539 4.590 -0.051 19178 5460 1 14 . 1 1 31 31 ALA C C 31 175.130 175.130 175.708 -0.578 19178 5461 1 14 . 1 1 31 31 ALA CA C 31 50.963 50.963 51.129 -0.166 19178 5462 1 14 . 1 1 31 31 ALA CB C 31 22.314 22.314 20.533 1.781 19178 5463 1 14 . 1 1 31 31 ALA H H 31 8.981 8.981 8.443 0.538 19178 5464 1 14 . 1 1 32 32 ARG N N 32 118.606 118.606 121.492 -2.886 19178 5465 1 14 . 1 1 32 32 ARG HA H 32 5.342 5.342 5.180 0.162 19178 5466 1 14 . 1 1 32 32 ARG C C 32 178.051 178.051 174.844 3.207 19178 5467 1 14 . 1 1 32 32 ARG CA C 32 54.543 54.543 53.366 1.177 19178 5468 1 14 . 1 1 32 32 ARG CB C 32 31.485 31.485 31.247 0.238 19178 5469 1 14 . 1 1 32 32 ARG H H 32 8.223 8.223 8.233 -0.010 19178 5470 1 14 . 1 1 33 33 CYS N N 33 125.750 125.750 122.144 3.606 19178 5471 1 14 . 1 1 33 33 CYS HA H 33 4.117 4.117 4.558 -0.441 19178 5472 1 14 . 1 1 33 33 CYS C C 33 175.978 175.978 175.203 0.775 19178 5473 1 14 . 1 1 33 33 CYS CA C 33 60.620 60.620 59.203 1.417 19178 5474 1 14 . 1 1 33 33 CYS CB C 33 27.213 27.213 28.890 -1.677 19178 5475 1 14 . 1 1 33 33 CYS H H 33 8.314 8.314 8.512 -0.198 19178 5476 1 14 . 1 1 34 34 ARG N N 34 128.053 128.053 125.749 2.304 19178 5477 1 14 . 1 1 34 34 ARG HA H 34 3.926 3.926 4.188 -0.262 19178 5478 1 14 . 1 1 34 34 ARG C C 34 176.565 176.565 176.039 0.526 19178 5479 1 14 . 1 1 34 34 ARG CA C 34 58.719 58.719 57.924 0.795 19178 5480 1 14 . 1 1 34 34 ARG CB C 34 30.159 30.159 29.848 0.311 19178 5481 1 14 . 1 1 34 34 ARG H H 34 8.578 8.578 8.707 -0.129 19178 5482 1 14 . 1 1 35 35 ILE N N 35 122.502 122.502 117.285 5.217 19178 5483 1 14 . 1 1 35 35 ILE HA H 35 3.843 3.843 4.120 -0.277 19178 5484 1 14 . 1 1 35 35 ILE C C 35 176.028 176.028 174.518 1.510 19178 5485 1 14 . 1 1 35 35 ILE CA C 35 62.035 62.035 61.352 0.683 19178 5486 1 14 . 1 1 35 35 ILE CB C 35 39.125 39.125 39.020 0.105 19178 5487 1 14 . 1 1 35 35 ILE H H 35 8.932 8.932 7.897 1.035 19178 5488 1 14 . 1 1 36 36 HIS N N 36 121.974 121.974 115.094 6.880 19178 5489 1 14 . 1 1 36 36 HIS HA H 36 4.569 4.569 4.876 -0.307 19178 5490 1 14 . 1 1 36 36 HIS CB C 36 31.187 31.187 30.848 0.339 19178 5491 1 14 . 1 1 36 36 HIS H H 36 8.078 8.078 7.154 0.924 19178 5492 1 14 . 1 1 37 37 ASN N N 37 119.433 119.433 119.975 -0.542 19178 5493 1 14 . 1 1 37 37 ASN HA H 37 4.399 4.399 4.488 -0.089 19178 5494 1 14 . 1 1 37 37 ASN C C 37 173.906 173.906 174.855 -0.949 19178 5495 1 14 . 1 1 37 37 ASN CA C 37 56.407 56.407 54.392 2.015 19178 5496 1 14 . 1 1 37 37 ASN CB C 37 39.331 39.331 38.551 0.780 19178 5497 1 14 . 1 1 37 37 ASN H H 37 8.386 8.386 8.617 -0.231 19178 5498 1 14 . 1 1 38 38 ASP N N 38 112.673 112.673 118.874 -6.201 19178 5499 1 14 . 1 1 38 38 ASP HA H 38 4.385 4.385 4.646 -0.261 19178 5500 1 14 . 1 1 38 38 ASP C C 38 175.841 175.841 175.496 0.345 19178 5501 1 14 . 1 1 38 38 ASP CA C 38 53.983 53.983 54.690 -0.707 19178 5502 1 14 . 1 1 38 38 ASP CB C 38 40.263 40.263 40.387 -0.124 19178 5503 1 14 . 1 1 38 38 ASP H H 38 8.880 8.880 8.236 0.644 19178 5504 1 14 . 1 1 39 39 VAL N N 39 124.385 124.385 120.955 3.430 19178 5505 1 14 . 1 1 39 39 VAL HA H 39 3.944 3.944 4.176 -0.232 19178 5506 1 14 . 1 1 39 39 VAL C C 39 173.731 173.731 173.721 0.010 19178 5507 1 14 . 1 1 39 39 VAL CA C 39 63.514 63.514 60.829 2.685 19178 5508 1 14 . 1 1 39 39 VAL CB C 39 32.408 32.408 33.868 -1.460 19178 5509 1 14 . 1 1 39 39 VAL H H 39 8.253 8.253 7.369 0.884 19178 5510 1 14 . 1 1 40 40 ILE N N 40 128.130 128.130 127.651 0.479 19178 5511 1 14 . 1 1 40 40 ILE HA H 40 4.222 4.222 4.409 -0.187 19178 5512 1 14 . 1 1 40 40 ILE C C 40 174.090 174.090 174.140 -0.050 19178 5513 1 14 . 1 1 40 40 ILE CA C 40 60.635 60.635 59.256 1.379 19178 5514 1 14 . 1 1 40 40 ILE CB C 40 38.281 38.281 39.026 -0.745 19178 5515 1 14 . 1 1 40 40 ILE H H 40 7.836 7.836 7.990 -0.154 19178 5516 1 14 . 1 1 41 41 LEU N N 41 124.924 124.924 128.391 -3.467 19178 5517 1 14 . 1 1 41 41 LEU HA H 41 4.884 4.884 4.668 0.216 19178 5518 1 14 . 1 1 41 41 LEU C C 41 175.989 175.989 175.034 0.955 19178 5519 1 14 . 1 1 41 41 LEU CA C 41 52.654 52.654 53.082 -0.428 19178 5520 1 14 . 1 1 41 41 LEU CB C 41 45.122 45.122 44.914 0.208 19178 5521 1 14 . 1 1 41 41 LEU H H 41 8.836 8.836 8.660 0.176 19178 5522 1 14 . 1 1 42 42 ASP N N 42 119.247 119.247 121.504 -2.257 19178 5523 1 14 . 1 1 42 42 ASP HA H 42 4.858 4.858 4.721 0.137 19178 5524 1 14 . 1 1 42 42 ASP C C 42 176.128 176.128 175.954 0.174 19178 5525 1 14 . 1 1 42 42 ASP CA C 42 53.328 53.328 53.394 -0.066 19178 5526 1 14 . 1 1 42 42 ASP CB C 42 41.408 41.408 42.201 -0.793 19178 5527 1 14 . 1 1 42 42 ASP H H 42 8.725 8.725 8.496 0.229 19178 5528 1 14 . 1 1 43 43 SER N N 43 123.344 123.344 122.532 0.812 19178 5529 1 14 . 1 1 43 43 SER HA H 43 4.178 4.178 4.448 -0.270 19178 5530 1 14 . 1 1 43 43 SER C C 43 176.291 176.291 175.582 0.709 19178 5531 1 14 . 1 1 43 43 SER CA C 43 60.431 60.431 59.349 1.082 19178 5532 1 14 . 1 1 43 43 SER CB C 43 64.943 64.943 63.665 1.278 19178 5533 1 14 . 1 1 43 43 SER H H 43 8.462 8.462 8.724 -0.262 19178 5534 1 14 . 1 1 44 44 GLY N N 44 112.184 112.184 108.681 3.503 19178 5535 1 14 . 1 1 44 44 GLY C C 44 174.525 174.525 174.695 -0.170 19178 5536 1 14 . 1 1 44 44 GLY CA C 44 45.368 45.368 45.093 0.275 19178 5537 1 14 . 1 1 44 44 GLY H H 44 9.230 9.230 8.110 1.120 19178 5538 1 14 . 1 1 45 45 ASN N N 45 119.774 119.774 118.589 1.185 19178 5539 1 14 . 1 1 45 45 ASN HA H 45 4.681 4.681 4.635 0.046 19178 5540 1 14 . 1 1 45 45 ASN C C 45 174.866 174.866 175.032 -0.166 19178 5541 1 14 . 1 1 45 45 ASN CA C 45 52.807 52.807 53.045 -0.238 19178 5542 1 14 . 1 1 45 45 ASN CB C 45 39.241 39.241 38.936 0.305 19178 5543 1 14 . 1 1 45 45 ASN H H 45 8.486 8.486 8.080 0.406 19178 5544 1 14 . 1 1 46 46 ASP N N 46 120.223 120.223 120.614 -0.391 19178 5545 1 14 . 1 1 46 46 ASP HA H 46 4.367 4.367 4.404 -0.037 19178 5546 1 14 . 1 1 46 46 ASP C C 46 177.272 177.272 176.494 0.778 19178 5547 1 14 . 1 1 46 46 ASP CA C 46 54.869 54.869 55.400 -0.531 19178 5548 1 14 . 1 1 46 46 ASP CB C 46 42.461 42.461 40.149 2.312 19178 5549 1 14 . 1 1 46 46 ASP H H 46 8.387 8.387 8.665 -0.278 19178 5550 1 14 . 1 1 47 47 ALA N N 47 126.587 126.587 128.819 -2.232 19178 5551 1 14 . 1 1 47 47 ALA HA H 47 3.741 3.741 3.931 -0.190 19178 5552 1 14 . 1 1 47 47 ALA C C 47 177.980 177.980 177.666 0.314 19178 5553 1 14 . 1 1 47 47 ALA CA C 47 53.866 53.866 53.995 -0.129 19178 5554 1 14 . 1 1 47 47 ALA CB C 47 16.554 16.554 18.414 -1.860 19178 5555 1 14 . 1 1 47 47 ALA H H 47 8.747 8.747 8.366 0.381 19178 5556 1 14 . 1 1 48 48 SER N N 48 115.463 115.463 113.533 1.930 19178 5557 1 14 . 1 1 48 48 SER HA H 48 4.203 4.203 3.842 0.361 19178 5558 1 14 . 1 1 48 48 SER CA C 48 61.994 61.994 61.170 0.824 19178 5559 1 14 . 1 1 48 48 SER H H 48 8.973 8.973 8.166 0.807 19178 5560 1 14 . 1 1 49 49 SER C C 49 176.587 176.587 176.154 0.433 19178 5561 1 14 . 1 1 49 49 SER CA C 49 62.279 62.279 61.558 0.721 19178 5562 1 14 . 1 1 50 50 ALA N N 50 125.775 125.775 124.172 1.603 19178 5563 1 14 . 1 1 50 50 ALA HA H 50 4.076 4.076 4.103 -0.027 19178 5564 1 14 . 1 1 50 50 ALA C C 50 179.125 179.125 180.031 -0.906 19178 5565 1 14 . 1 1 50 50 ALA CA C 50 54.822 54.822 54.741 0.081 19178 5566 1 14 . 1 1 50 50 ALA CB C 50 18.834 18.834 18.236 0.598 19178 5567 1 14 . 1 1 50 50 ALA H H 50 7.620 7.620 7.715 -0.095 19178 5568 1 14 . 1 1 51 51 TYR N N 51 117.562 117.562 117.295 0.267 19178 5569 1 14 . 1 1 51 51 TYR HA H 51 4.275 4.275 4.187 0.088 19178 5570 1 14 . 1 1 51 51 TYR C C 51 179.622 179.622 178.469 1.153 19178 5571 1 14 . 1 1 51 51 TYR CA C 51 60.966 60.966 58.195 2.771 19178 5572 1 14 . 1 1 51 51 TYR CB C 51 36.803 36.803 36.964 -0.161 19178 5573 1 14 . 1 1 51 51 TYR H H 51 7.397 7.397 7.943 -0.546 19178 5574 1 14 . 1 1 52 52 LYS N N 52 121.441 121.441 120.313 1.128 19178 5575 1 14 . 1 1 52 52 LYS HA H 52 4.103 4.103 4.106 -0.003 19178 5576 1 14 . 1 1 52 52 LYS C C 52 179.041 179.041 179.328 -0.287 19178 5577 1 14 . 1 1 52 52 LYS CA C 52 59.827 59.827 59.209 0.618 19178 5578 1 14 . 1 1 52 52 LYS H H 52 8.332 8.332 8.261 0.071 19178 5579 1 14 . 1 1 53 53 LEU N N 53 122.286 122.286 116.503 5.783 19178 5580 1 14 . 1 1 53 53 LEU HA H 53 4.376 4.376 4.223 0.153 19178 5581 1 14 . 1 1 53 53 LEU C C 53 178.373 178.373 178.953 -0.580 19178 5582 1 14 . 1 1 53 53 LEU CA C 53 57.863 57.863 58.318 -0.455 19178 5583 1 14 . 1 1 53 53 LEU CB C 53 41.288 41.288 40.781 0.507 19178 5584 1 14 . 1 1 53 53 LEU H H 53 7.671 7.671 8.525 -0.854 19178 5585 1 14 . 1 1 54 54 GLY N N 54 127.824 127.824 108.331 19.493 19178 5586 1 14 . 1 1 54 54 GLY C C 54 174.865 174.865 175.825 -0.960 19178 5587 1 14 . 1 1 54 54 GLY CA C 54 47.971 47.971 47.446 0.525 19178 5588 1 14 . 1 1 54 54 GLY H H 54 9.020 9.020 8.548 0.472 19178 5589 1 14 . 1 1 55 55 THR N N 55 117.961 117.961 118.900 -0.939 19178 5590 1 14 . 1 1 55 55 THR HA H 55 4.445 4.445 4.404 0.041 19178 5591 1 14 . 1 1 55 55 THR C C 55 175.188 175.188 175.945 -0.757 19178 5592 1 14 . 1 1 55 55 THR CA C 55 67.593 67.593 66.340 1.253 19178 5593 1 14 . 1 1 55 55 THR H H 55 8.123 8.123 8.668 -0.545 19178 5594 1 14 . 1 1 56 56 TYR N N 56 122.294 122.294 123.558 -1.264 19178 5595 1 14 . 1 1 56 56 TYR HA H 56 4.346 4.346 4.237 0.109 19178 5596 1 14 . 1 1 56 56 TYR C C 56 177.909 177.909 177.187 0.722 19178 5597 1 14 . 1 1 56 56 TYR CA C 56 61.147 61.147 61.850 -0.703 19178 5598 1 14 . 1 1 56 56 TYR CB C 56 37.981 37.981 38.158 -0.177 19178 5599 1 14 . 1 1 56 56 TYR H H 56 7.697 7.697 8.154 -0.457 19178 5600 1 14 . 1 1 57 57 LEU N N 57 118.703 118.703 118.842 -0.139 19178 5601 1 14 . 1 1 57 57 LEU HA H 57 3.914 3.914 3.681 0.233 19178 5602 1 14 . 1 1 57 57 LEU C C 57 180.087 180.087 179.152 0.935 19178 5603 1 14 . 1 1 57 57 LEU CA C 57 57.780 57.780 57.739 0.041 19178 5604 1 14 . 1 1 57 57 LEU CB C 57 42.026 42.026 42.123 -0.097 19178 5605 1 14 . 1 1 57 57 LEU H H 57 8.909 8.909 7.942 0.967 19178 5606 1 14 . 1 1 58 58 TYR N N 58 120.667 120.667 117.326 3.341 19178 5607 1 14 . 1 1 58 58 TYR HA H 58 4.209 4.209 4.219 -0.010 19178 5608 1 14 . 1 1 58 58 TYR C C 58 177.511 177.511 176.574 0.937 19178 5609 1 14 . 1 1 58 58 TYR CA C 58 61.641 61.641 60.593 1.048 19178 5610 1 14 . 1 1 58 58 TYR H H 58 8.971 8.971 8.112 0.859 19178 5611 1 14 . 1 1 59 59 GLN N N 59 119.344 119.344 116.049 3.295 19178 5612 1 14 . 1 1 59 59 GLN HA H 59 4.668 4.668 4.563 0.105 19178 5613 1 14 . 1 1 59 59 GLN C C 59 179.270 179.270 174.073 5.197 19178 5614 1 14 . 1 1 59 59 GLN H H 59 8.378 8.378 8.034 0.344 19178 5615 1 14 . 1 1 67 67 PHE HA H 67 4.852 4.852 4.163 0.689 19178 5616 1 14 . 1 1 67 67 PHE C C 67 175.889 175.889 175.082 0.807 19178 5617 1 14 . 1 1 67 67 PHE CA C 67 55.576 55.576 57.661 -2.085 19178 5618 1 14 . 1 1 67 67 PHE CB C 67 42.444 42.444 36.090 6.354 19178 5619 1 14 . 1 1 68 68 ASN N N 68 120.775 120.775 118.642 2.133 19178 5620 1 14 . 1 1 68 68 ASN C C 68 175.338 175.338 175.452 -0.114 19178 5621 1 14 . 1 1 68 68 ASN CA C 68 55.092 55.092 53.473 1.619 19178 5622 1 14 . 1 1 68 68 ASN CB C 68 40.006 40.006 39.549 0.457 19178 5623 1 14 . 1 1 68 68 ASN H H 68 9.560 9.560 8.092 1.468 19178 5624 1 14 . 1 1 69 69 THR N N 69 127.914 127.914 121.442 6.472 19178 5625 1 14 . 1 1 69 69 THR HA H 69 4.732 4.732 4.463 0.269 19178 5626 1 14 . 1 1 69 69 THR C C 69 173.530 173.530 175.082 -1.552 19178 5627 1 14 . 1 1 69 69 THR CA C 69 58.877 58.877 61.557 -2.680 19178 5628 1 14 . 1 1 69 69 THR CB C 69 73.620 73.620 69.862 3.758 19178 5629 1 14 . 1 1 69 69 THR H H 69 7.237 7.237 8.604 -1.367 19178 5630 1 14 . 1 1 70 70 LEU N N 70 122.013 122.013 128.122 -6.109 19178 5631 1 14 . 1 1 70 70 LEU HA H 70 3.005 3.005 4.303 -1.298 19178 5632 1 14 . 1 1 70 70 LEU C C 70 178.252 178.252 177.875 0.377 19178 5633 1 14 . 1 1 70 70 LEU CA C 70 56.721 56.721 56.892 -0.170 19178 5634 1 14 . 1 1 70 70 LEU CB C 70 41.199 41.199 41.164 0.035 19178 5635 1 14 . 1 1 70 70 LEU H H 70 8.614 8.614 8.952 -0.338 19178 5636 1 14 . 1 1 71 71 THR N N 71 114.041 114.041 114.753 -0.712 19178 5637 1 14 . 1 1 71 71 THR HA H 71 3.620 3.620 3.987 -0.367 19178 5638 1 14 . 1 1 71 71 THR C C 71 175.400 175.400 176.642 -1.242 19178 5639 1 14 . 1 1 71 71 THR CA C 71 66.405 66.405 66.506 -0.101 19178 5640 1 14 . 1 1 71 71 THR CB C 71 68.517 68.517 68.278 0.239 19178 5641 1 14 . 1 1 71 71 THR H H 71 7.694 7.694 8.304 -0.610 19178 5642 1 14 . 1 1 72 72 GLU N N 72 120.141 120.141 121.258 -1.117 19178 5643 1 14 . 1 1 72 72 GLU HA H 72 3.997 3.997 3.894 0.103 19178 5644 1 14 . 1 1 72 72 GLU C C 72 178.982 178.982 178.284 0.698 19178 5645 1 14 . 1 1 72 72 GLU CA C 72 59.250 59.250 59.374 -0.124 19178 5646 1 14 . 1 1 72 72 GLU CB C 72 30.907 30.907 29.309 1.598 19178 5647 1 14 . 1 1 72 72 GLU H H 72 7.514 7.514 7.592 -0.078 19178 5648 1 14 . 1 1 73 73 ALA N N 73 123.400 123.400 121.817 1.583 19178 5649 1 14 . 1 1 73 73 ALA HA H 73 2.167 2.167 3.591 -1.424 19178 5650 1 14 . 1 1 73 73 ALA C C 73 178.959 178.959 179.055 -0.096 19178 5651 1 14 . 1 1 73 73 ALA CA C 73 54.323 54.323 55.284 -0.961 19178 5652 1 14 . 1 1 73 73 ALA CB C 73 17.561 17.561 18.301 -0.740 19178 5653 1 14 . 1 1 73 73 ALA H H 73 6.788 6.788 7.431 -0.643 19178 5654 1 14 . 1 1 74 74 ARG N N 74 116.272 116.272 118.553 -2.281 19178 5655 1 14 . 1 1 74 74 ARG HA H 74 3.887 3.887 3.625 0.262 19178 5656 1 14 . 1 1 74 74 ARG C C 74 179.230 179.230 177.776 1.454 19178 5657 1 14 . 1 1 74 74 ARG CA C 74 60.442 60.442 59.430 1.012 19178 5658 1 14 . 1 1 74 74 ARG CB C 74 29.878 29.878 29.864 0.014 19178 5659 1 14 . 1 1 74 74 ARG H H 74 8.145 8.145 8.148 -0.003 19178 5660 1 14 . 1 1 75 75 ASP N N 75 120.487 120.487 118.261 2.226 19178 5661 1 14 . 1 1 75 75 ASP HA H 75 4.446 4.446 4.406 0.040 19178 5662 1 14 . 1 1 75 75 ASP C C 75 178.040 178.040 177.666 0.374 19178 5663 1 14 . 1 1 75 75 ASP CA C 75 57.166 57.166 57.099 0.067 19178 5664 1 14 . 1 1 75 75 ASP CB C 75 39.687 39.687 40.910 -1.223 19178 5665 1 14 . 1 1 75 75 ASP H H 75 8.594 8.594 8.218 0.376 19178 5666 1 14 . 1 1 76 76 ALA N N 76 122.773 122.773 123.515 -0.742 19178 5667 1 14 . 1 1 76 76 ALA HA H 76 4.345 4.345 4.074 0.271 19178 5668 1 14 . 1 1 76 76 ALA C C 76 181.221 181.221 179.732 1.489 19178 5669 1 14 . 1 1 76 76 ALA CA C 76 55.245 55.245 55.038 0.207 19178 5670 1 14 . 1 1 76 76 ALA CB C 76 18.316 18.316 18.720 -0.404 19178 5671 1 14 . 1 1 76 76 ALA H H 76 7.668 7.668 7.498 0.170 19178 5672 1 14 . 1 1 77 77 ILE N N 77 120.254 120.254 117.546 2.708 19178 5673 1 14 . 1 1 77 77 ILE HA H 77 3.632 3.632 3.900 -0.268 19178 5674 1 14 . 1 1 77 77 ILE C C 77 176.567 176.567 177.947 -1.380 19178 5675 1 14 . 1 1 77 77 ILE CA C 77 66.365 66.365 61.943 4.423 19178 5676 1 14 . 1 1 77 77 ILE CB C 77 37.947 37.947 36.084 1.863 19178 5677 1 14 . 1 1 77 77 ILE H H 77 7.724 7.724 8.508 -0.784 19178 5678 1 14 . 1 1 78 78 LYS N N 78 122.773 122.773 120.483 2.290 19178 5679 1 14 . 1 1 78 78 LYS HA H 78 4.265 4.265 4.014 0.251 19178 5680 1 14 . 1 1 78 78 LYS C C 78 178.382 178.382 178.607 -0.225 19178 5681 1 14 . 1 1 78 78 LYS CA C 78 60.442 60.442 58.864 1.578 19178 5682 1 14 . 1 1 78 78 LYS CB C 78 33.021 33.021 31.888 1.133 19178 5683 1 14 . 1 1 78 78 LYS H H 78 8.465 8.465 8.194 0.271 19178 5684 1 14 . 1 1 79 79 ASP N N 79 118.165 118.165 120.346 -2.181 19178 5685 1 14 . 1 1 79 79 ASP HA H 79 4.353 4.353 4.472 -0.119 19178 5686 1 14 . 1 1 79 79 ASP C C 79 179.289 179.289 178.079 1.210 19178 5687 1 14 . 1 1 79 79 ASP CA C 79 57.245 57.245 57.101 0.144 19178 5688 1 14 . 1 1 79 79 ASP H H 79 8.541 8.541 8.293 0.248 19178 5689 1 14 . 1 1 80 80 ALA N N 80 122.362 122.362 123.038 -0.676 19178 5690 1 14 . 1 1 80 80 ALA HA H 80 4.340 4.340 4.140 0.200 19178 5691 1 14 . 1 1 80 80 ALA C C 80 179.265 179.265 180.031 -0.766 19178 5692 1 14 . 1 1 80 80 ALA CA C 80 54.979 54.979 55.358 -0.380 19178 5693 1 14 . 1 1 80 80 ALA CB C 80 18.254 18.254 18.779 -0.525 19178 5694 1 14 . 1 1 80 80 ALA H H 80 7.727 7.727 8.078 -0.351 19178 5695 1 14 . 1 1 81 81 TYR N N 81 118.882 118.882 117.949 0.933 19178 5696 1 14 . 1 1 81 81 TYR HA H 81 4.115 4.115 4.294 -0.179 19178 5697 1 14 . 1 1 81 81 TYR C C 81 178.146 178.146 178.570 -0.424 19178 5698 1 14 . 1 1 81 81 TYR CA C 81 61.635 61.635 60.764 0.871 19178 5699 1 14 . 1 1 81 81 TYR CB C 81 38.115 38.115 38.010 0.105 19178 5700 1 14 . 1 1 81 81 TYR H H 81 9.037 9.037 9.104 -0.067 19178 5701 1 14 . 1 1 82 82 GLU N N 82 116.630 116.630 118.972 -2.342 19178 5702 1 14 . 1 1 82 82 GLU HA H 82 3.816 3.816 4.115 -0.299 19178 5703 1 14 . 1 1 82 82 GLU C C 82 178.664 178.664 178.666 -0.002 19178 5704 1 14 . 1 1 82 82 GLU CA C 82 59.304 59.304 58.845 0.459 19178 5705 1 14 . 1 1 82 82 GLU CB C 82 28.848 28.848 29.576 -0.728 19178 5706 1 14 . 1 1 82 82 GLU H H 82 8.854 8.854 8.031 0.823 19178 5707 1 14 . 1 1 83 83 SER N N 83 114.004 114.004 116.091 -2.087 19178 5708 1 14 . 1 1 83 83 SER HA H 83 4.164 4.164 4.197 -0.033 19178 5709 1 14 . 1 1 83 83 SER C C 83 174.387 174.387 175.865 -1.478 19178 5710 1 14 . 1 1 83 83 SER CA C 83 61.038 61.038 60.452 0.586 19178 5711 1 14 . 1 1 83 83 SER CB C 83 63.152 63.152 62.991 0.161 19178 5712 1 14 . 1 1 83 83 SER H H 83 7.573 7.573 8.295 -0.722 19178 5713 1 14 . 1 1 84 84 TYR N N 84 117.323 117.323 117.290 0.033 19178 5714 1 14 . 1 1 84 84 TYR HA H 84 4.595 4.595 4.576 0.019 19178 5715 1 14 . 1 1 84 84 TYR C C 84 174.434 174.434 175.728 -1.294 19178 5716 1 14 . 1 1 84 84 TYR CA C 84 58.871 58.871 58.677 0.194 19178 5717 1 14 . 1 1 84 84 TYR CB C 84 41.746 41.746 39.496 2.250 19178 5718 1 14 . 1 1 84 84 TYR H H 84 7.319 7.319 7.958 -0.639 19178 5719 1 14 . 1 1 85 85 CYS N N 85 118.762 118.762 119.666 -0.904 19178 5720 1 14 . 1 1 85 85 CYS HA H 85 3.940 3.940 4.106 -0.166 19178 5721 1 14 . 1 1 85 85 CYS C C 85 176.178 176.178 175.734 0.444 19178 5722 1 14 . 1 1 85 85 CYS CA C 85 58.817 58.817 62.043 -3.226 19178 5723 1 14 . 1 1 85 85 CYS CB C 85 26.042 26.042 28.102 -2.060 19178 5724 1 14 . 1 1 85 85 CYS H H 85 7.670 7.670 7.759 -0.089 19178 5725 1 14 . 1 1 86 86 GLY N N 86 113.730 113.730 115.993 -2.263 19178 5726 1 14 . 1 1 86 86 GLY C C 86 174.587 174.587 173.897 0.690 19178 5727 1 14 . 1 1 86 86 GLY CA C 86 45.214 45.214 44.873 0.341 19178 5728 1 14 . 1 1 86 86 GLY H H 86 10.799 10.799 8.720 2.079 19178 5729 1 14 . 1 1 87 87 ILE N N 87 122.743 122.743 121.355 1.388 19178 5730 1 14 . 1 1 87 87 ILE HA H 87 4.291 4.291 4.368 -0.077 19178 5731 1 14 . 1 1 87 87 ILE C C 87 174.340 174.340 174.308 0.032 19178 5732 1 14 . 1 1 87 87 ILE CA C 87 60.968 60.968 60.175 0.793 19178 5733 1 14 . 1 1 87 87 ILE CB C 87 35.512 35.512 38.319 -2.807 19178 5734 1 14 . 1 1 87 87 ILE H H 87 8.023 8.023 7.488 0.535 19178 5735 1 14 . 1 1 88 88 ASP N N 88 125.059 125.059 124.969 0.090 19178 5736 1 14 . 1 1 88 88 ASP HA H 88 4.750 4.750 4.799 -0.049 19178 5737 1 14 . 1 1 88 88 ASP C C 88 175.895 175.895 175.541 0.354 19178 5738 1 14 . 1 1 88 88 ASP CA C 88 54.319 54.319 56.041 -1.722 19178 5739 1 14 . 1 1 88 88 ASP CB C 88 41.692 41.692 41.997 -0.305 19178 5740 1 14 . 1 1 88 88 ASP H H 88 8.127 8.127 8.774 -0.647 19178 5741 1 14 . 1 1 89 89 ASP N N 89 117.971 117.971 116.893 1.078 19178 5742 1 14 . 1 1 89 89 ASP HA H 89 4.822 4.822 4.636 0.186 19178 5743 1 14 . 1 1 89 89 ASP C C 89 174.069 174.069 175.268 -1.199 19178 5744 1 14 . 1 1 89 89 ASP CA C 89 52.369 52.369 52.538 -0.169 19178 5745 1 14 . 1 1 89 89 ASP CB C 89 43.625 43.625 42.509 1.116 19178 5746 1 14 . 1 1 89 89 ASP H H 89 7.617 7.617 7.873 -0.256 19178 5747 1 14 . 1 1 90 90 CYS N N 90 126.238 126.238 123.125 3.113 19178 5748 1 14 . 1 1 90 90 CYS C C 90 175.636 175.636 175.408 0.228 19178 5749 1 14 . 1 1 90 90 CYS CA C 90 56.215 56.215 57.574 -1.359 19178 5750 1 14 . 1 1 90 90 CYS H H 90 8.936 8.936 8.696 0.240 19178 5751 1 14 . 1 1 91 91 PRO HA H 91 4.460 4.460 4.310 0.150 19178 5752 1 14 . 1 1 91 91 PRO C C 91 178.629 178.629 178.327 0.302 19178 5753 1 14 . 1 1 91 91 PRO CA C 91 64.614 64.614 64.792 -0.178 19178 5754 1 14 . 1 1 91 91 PRO CB C 91 32.208 32.208 32.275 -0.067 19178 5755 1 14 . 1 1 92 92 GLN N N 92 119.363 119.363 118.385 0.978 19178 5756 1 14 . 1 1 92 92 GLN HA H 92 4.060 4.060 4.027 0.033 19178 5757 1 14 . 1 1 92 92 GLN C C 92 178.181 178.181 178.550 -0.369 19178 5758 1 14 . 1 1 92 92 GLN CA C 92 57.837 57.837 58.938 -1.101 19178 5759 1 14 . 1 1 92 92 GLN CB C 92 28.252 28.252 28.109 0.143 19178 5760 1 14 . 1 1 92 92 GLN H H 92 8.253 8.253 8.506 -0.253 19178 5761 1 14 . 1 1 93 93 CYS N N 93 124.725 124.725 117.457 7.268 19178 5762 1 14 . 1 1 93 93 CYS HA H 93 4.269 4.269 4.578 -0.309 19178 5763 1 14 . 1 1 93 93 CYS C C 93 177.180 177.180 176.646 0.534 19178 5764 1 14 . 1 1 93 93 CYS CA C 93 64.366 64.366 62.064 2.302 19178 5765 1 14 . 1 1 93 93 CYS CB C 93 30.379 30.379 26.603 3.776 19178 5766 1 14 . 1 1 93 93 CYS H H 93 8.581 8.581 7.817 0.764 19178 5767 1 14 . 1 1 94 94 SER N N 94 113.467 113.467 113.840 -0.373 19178 5768 1 14 . 1 1 94 94 SER HA H 94 4.277 4.277 4.208 0.069 19178 5769 1 14 . 1 1 94 94 SER C C 94 174.481 174.481 175.932 -1.451 19178 5770 1 14 . 1 1 94 94 SER CA C 94 59.432 59.432 60.945 -1.513 19178 5771 1 14 . 1 1 94 94 SER CB C 94 63.217 63.217 63.042 0.175 19178 5772 1 14 . 1 1 94 94 SER H H 94 7.753 7.753 7.829 -0.076 19178 5773 1 14 . 1 1 95 95 LYS N N 95 121.369 121.369 119.704 1.665 19178 5774 1 14 . 1 1 95 95 LYS HA H 95 4.211 4.211 4.127 0.084 19178 5775 1 14 . 1 1 95 95 LYS C C 95 176.237 176.237 176.403 -0.166 19178 5776 1 14 . 1 1 95 95 LYS CA C 95 56.622 56.622 57.579 -0.957 19178 5777 1 14 . 1 1 95 95 LYS CB C 95 32.756 32.756 33.918 -1.162 19178 5778 1 14 . 1 1 95 95 LYS H H 95 7.520 7.520 7.644 -0.124 19178 5779 1 14 . 1 1 96 96 TYR N N 96 121.000 121.000 118.805 2.195 19178 5780 1 14 . 1 1 96 96 TYR HA H 96 4.559 4.559 4.671 -0.112 19178 5781 1 14 . 1 1 96 96 TYR C C 96 175.577 175.577 174.704 0.873 19178 5782 1 14 . 1 1 96 96 TYR CA C 96 58.039 58.039 56.565 1.474 19178 5783 1 14 . 1 1 96 96 TYR CB C 96 38.694 38.694 39.766 -1.072 19178 5784 1 14 . 1 1 96 96 TYR H H 96 8.005 8.005 7.784 0.221 19178 5785 1 14 . 1 1 97 97 ILE N N 97 123.003 123.003 122.740 0.263 19178 5786 1 14 . 1 1 97 97 ILE HA H 97 4.120 4.120 4.135 -0.015 19178 5787 1 14 . 1 1 97 97 ILE C C 97 175.194 175.194 176.122 -0.928 19178 5788 1 14 . 1 1 97 97 ILE CA C 97 60.929 60.929 61.752 -0.823 19178 5789 1 14 . 1 1 97 97 ILE CB C 97 39.044 39.044 39.017 0.027 19178 5790 1 14 . 1 1 97 97 ILE H H 97 7.832 7.832 8.616 -0.784 19178 5791 1 14 . 1 1 98 98 ASP N N 98 125.070 125.070 124.812 0.258 19178 5792 1 14 . 1 1 98 98 ASP HA H 98 4.627 4.627 4.703 -0.076 19178 5793 1 14 . 1 1 98 98 ASP C C 98 174.976 174.976 175.421 -0.445 19178 5794 1 14 . 1 1 98 98 ASP CA C 98 54.184 54.184 53.498 0.686 19178 5795 1 14 . 1 1 98 98 ASP CB C 98 41.502 41.502 40.879 0.623 19178 5796 1 14 . 1 1 98 98 ASP H H 98 8.245 8.245 8.442 -0.197 19178 5797 1 15 . 1 1 16 16 GLN HA H 16 4.330 4.330 3.995 0.335 19178 5798 1 15 . 1 1 17 17 GLU N N 17 119.126 119.126 118.261 0.865 19178 5799 1 15 . 1 1 17 17 GLU HA H 17 4.329 4.329 4.251 0.078 19178 5800 1 15 . 1 1 17 17 GLU H H 17 8.422 8.422 8.819 -0.397 19178 5801 1 15 . 1 1 18 18 GLN N N 18 120.450 120.450 119.464 0.986 19178 5802 1 15 . 1 1 18 18 GLN HA H 18 4.081 4.081 4.236 -0.155 19178 5803 1 15 . 1 1 18 18 GLN H H 18 8.729 8.729 7.600 1.129 19178 5804 1 15 . 1 1 19 19 TRP N N 19 121.902 121.902 122.451 -0.549 19178 5805 1 15 . 1 1 19 19 TRP HA H 19 4.125 4.125 4.368 -0.243 19178 5806 1 15 . 1 1 19 19 TRP C C 19 179.400 179.400 177.996 1.404 19178 5807 1 15 . 1 1 19 19 TRP CA C 19 62.361 62.361 61.097 1.264 19178 5808 1 15 . 1 1 19 19 TRP CB C 19 29.938 29.938 29.415 0.523 19178 5809 1 15 . 1 1 19 19 TRP H H 19 8.561 8.561 8.389 0.172 19178 5810 1 15 . 1 1 20 20 ALA N N 20 122.759 122.759 122.728 0.031 19178 5811 1 15 . 1 1 20 20 ALA HA H 20 3.815 3.815 3.706 0.109 19178 5812 1 15 . 1 1 20 20 ALA C C 20 180.433 180.433 178.555 1.878 19178 5813 1 15 . 1 1 20 20 ALA CA C 20 55.619 55.619 55.004 0.615 19178 5814 1 15 . 1 1 20 20 ALA CB C 20 18.474 18.474 17.968 0.506 19178 5815 1 15 . 1 1 20 20 ALA H H 20 8.828 8.828 7.947 0.881 19178 5816 1 15 . 1 1 21 21 MET N N 21 117.474 117.474 115.678 1.796 19178 5817 1 15 . 1 1 21 21 MET HA H 21 4.479 4.479 3.967 0.512 19178 5818 1 15 . 1 1 21 21 MET C C 21 178.744 178.744 178.527 0.217 19178 5819 1 15 . 1 1 21 21 MET CA C 21 56.778 56.778 57.797 -1.018 19178 5820 1 15 . 1 1 21 21 MET CB C 21 29.956 29.956 31.223 -1.267 19178 5821 1 15 . 1 1 21 21 MET H H 21 8.702 8.702 7.509 1.193 19178 5822 1 15 . 1 1 22 22 GLN N N 22 119.738 119.738 119.143 0.595 19178 5823 1 15 . 1 1 22 22 GLN HA H 22 4.025 4.025 3.691 0.334 19178 5824 1 15 . 1 1 22 22 GLN C C 22 180.104 180.104 178.138 1.966 19178 5825 1 15 . 1 1 22 22 GLN CA C 22 58.872 58.872 59.277 -0.405 19178 5826 1 15 . 1 1 22 22 GLN CB C 22 27.880 27.880 27.897 -0.017 19178 5827 1 15 . 1 1 22 22 GLN H H 22 8.531 8.531 8.029 0.502 19178 5828 1 15 . 1 1 23 23 THR N N 23 117.049 117.049 114.772 2.277 19178 5829 1 15 . 1 1 23 23 THR HA H 23 3.715 3.715 3.938 -0.223 19178 5830 1 15 . 1 1 23 23 THR C C 23 177.477 177.477 176.406 1.071 19178 5831 1 15 . 1 1 23 23 THR CA C 23 66.380 66.380 65.526 0.854 19178 5832 1 15 . 1 1 23 23 THR CB C 23 67.579 67.579 68.290 -0.710 19178 5833 1 15 . 1 1 23 23 THR H H 23 7.752 7.752 7.579 0.173 19178 5834 1 15 . 1 1 24 24 LEU N N 24 125.735 125.735 122.023 3.712 19178 5835 1 15 . 1 1 24 24 LEU HA H 24 3.731 3.731 3.779 -0.048 19178 5836 1 15 . 1 1 24 24 LEU C C 24 178.544 178.544 178.117 0.427 19178 5837 1 15 . 1 1 24 24 LEU CA C 24 58.882 58.882 58.217 0.665 19178 5838 1 15 . 1 1 24 24 LEU CB C 24 41.550 41.550 41.969 -0.419 19178 5839 1 15 . 1 1 24 24 LEU H H 24 7.886 7.886 7.346 0.540 19178 5840 1 15 . 1 1 25 25 MET N N 25 118.622 118.622 115.543 3.079 19178 5841 1 15 . 1 1 25 25 MET HA H 25 4.717 4.717 4.422 0.295 19178 5842 1 15 . 1 1 25 25 MET C C 25 181.465 181.465 178.482 2.983 19178 5843 1 15 . 1 1 25 25 MET CA C 25 55.604 55.604 58.095 -2.491 19178 5844 1 15 . 1 1 25 25 MET CB C 25 32.071 32.071 32.416 -0.345 19178 5845 1 15 . 1 1 25 25 MET H H 25 8.619 8.619 8.195 0.424 19178 5846 1 15 . 1 1 26 26 GLY N N 26 110.755 110.755 107.894 2.861 19178 5847 1 15 . 1 1 26 26 GLY C C 26 174.662 174.662 175.725 -1.063 19178 5848 1 15 . 1 1 26 26 GLY CA C 26 46.788 46.788 46.068 0.720 19178 5849 1 15 . 1 1 26 26 GLY H H 26 8.953 8.953 8.014 0.939 19178 5850 1 15 . 1 1 27 27 SER N N 27 109.977 109.977 116.276 -6.299 19178 5851 1 15 . 1 1 27 27 SER HA H 27 4.422 4.422 4.202 0.220 19178 5852 1 15 . 1 1 27 27 SER C C 27 175.612 175.612 175.582 0.030 19178 5853 1 15 . 1 1 27 27 SER CA C 27 58.309 58.309 59.765 -1.456 19178 5854 1 15 . 1 1 27 27 SER CB C 27 64.423 64.423 63.305 1.118 19178 5855 1 15 . 1 1 27 27 SER H H 27 7.335 7.335 7.705 -0.370 19178 5856 1 15 . 1 1 28 28 GLY N N 28 110.105 110.105 109.513 0.592 19178 5857 1 15 . 1 1 28 28 GLY C C 28 174.029 174.029 174.725 -0.696 19178 5858 1 15 . 1 1 28 28 GLY CA C 28 45.371 45.371 45.671 -0.300 19178 5859 1 15 . 1 1 28 28 GLY H H 28 7.536 7.536 7.657 -0.121 19178 5860 1 15 . 1 1 29 29 VAL N N 29 121.444 121.444 120.977 0.467 19178 5861 1 15 . 1 1 29 29 VAL HA H 29 4.720 4.720 3.843 0.877 19178 5862 1 15 . 1 1 29 29 VAL C C 29 177.149 177.149 175.768 1.381 19178 5863 1 15 . 1 1 29 29 VAL CA C 29 66.474 66.474 65.673 0.801 19178 5864 1 15 . 1 1 29 29 VAL CB C 29 32.694 32.694 32.346 0.347 19178 5865 1 15 . 1 1 29 29 VAL H H 29 7.738 7.738 7.331 0.407 19178 5866 1 15 . 1 1 30 30 LEU N N 30 115.594 115.594 116.020 -0.426 19178 5867 1 15 . 1 1 30 30 LEU HA H 30 5.349 5.349 4.375 0.974 19178 5868 1 15 . 1 1 30 30 LEU C C 30 174.427 174.427 174.687 -0.260 19178 5869 1 15 . 1 1 30 30 LEU CA C 30 52.231 52.231 53.340 -1.109 19178 5870 1 15 . 1 1 30 30 LEU CB C 30 43.525 43.525 44.205 -0.679 19178 5871 1 15 . 1 1 30 30 LEU H H 30 7.090 7.090 7.161 -0.071 19178 5872 1 15 . 1 1 31 31 ALA N N 31 122.020 122.020 121.035 0.985 19178 5873 1 15 . 1 1 31 31 ALA HA H 31 4.539 4.539 4.700 -0.161 19178 5874 1 15 . 1 1 31 31 ALA C C 31 175.130 175.130 175.416 -0.286 19178 5875 1 15 . 1 1 31 31 ALA CA C 31 50.963 50.963 50.942 0.021 19178 5876 1 15 . 1 1 31 31 ALA CB C 31 22.314 22.314 21.221 1.093 19178 5877 1 15 . 1 1 31 31 ALA H H 31 8.981 8.981 8.558 0.423 19178 5878 1 15 . 1 1 32 32 ARG N N 32 118.606 118.606 120.381 -1.775 19178 5879 1 15 . 1 1 32 32 ARG HA H 32 5.342 5.342 4.622 0.720 19178 5880 1 15 . 1 1 32 32 ARG C C 32 178.051 178.051 174.910 3.141 19178 5881 1 15 . 1 1 32 32 ARG CA C 32 54.543 54.543 54.240 0.303 19178 5882 1 15 . 1 1 32 32 ARG CB C 32 31.485 31.485 32.447 -0.962 19178 5883 1 15 . 1 1 32 32 ARG H H 32 8.223 8.223 8.096 0.127 19178 5884 1 15 . 1 1 33 33 CYS N N 33 125.750 125.750 120.498 5.252 19178 5885 1 15 . 1 1 33 33 CYS HA H 33 4.117 4.117 4.583 -0.466 19178 5886 1 15 . 1 1 33 33 CYS C C 33 175.978 175.978 176.798 -0.820 19178 5887 1 15 . 1 1 33 33 CYS CA C 33 60.620 60.620 58.512 2.108 19178 5888 1 15 . 1 1 33 33 CYS CB C 33 27.213 27.213 28.921 -1.708 19178 5889 1 15 . 1 1 33 33 CYS H H 33 8.314 8.314 8.647 -0.333 19178 5890 1 15 . 1 1 34 34 ARG N N 34 128.053 128.053 126.220 1.833 19178 5891 1 15 . 1 1 34 34 ARG HA H 34 3.926 3.926 4.111 -0.185 19178 5892 1 15 . 1 1 34 34 ARG C C 34 176.565 176.565 176.433 0.132 19178 5893 1 15 . 1 1 34 34 ARG CA C 34 58.719 58.719 58.237 0.482 19178 5894 1 15 . 1 1 34 34 ARG CB C 34 30.159 30.159 29.403 0.756 19178 5895 1 15 . 1 1 34 34 ARG H H 34 8.578 8.578 8.902 -0.324 19178 5896 1 15 . 1 1 35 35 ILE N N 35 122.502 122.502 114.583 7.919 19178 5897 1 15 . 1 1 35 35 ILE HA H 35 3.843 3.843 4.140 -0.297 19178 5898 1 15 . 1 1 35 35 ILE C C 35 176.028 176.028 174.281 1.747 19178 5899 1 15 . 1 1 35 35 ILE CA C 35 62.035 62.035 60.675 1.360 19178 5900 1 15 . 1 1 35 35 ILE CB C 35 39.125 39.125 38.870 0.255 19178 5901 1 15 . 1 1 35 35 ILE H H 35 8.932 8.932 7.511 1.421 19178 5902 1 15 . 1 1 36 36 HIS N N 36 121.974 121.974 120.052 1.922 19178 5903 1 15 . 1 1 36 36 HIS HA H 36 4.569 4.569 4.854 -0.285 19178 5904 1 15 . 1 1 36 36 HIS CB C 36 31.187 31.187 31.032 0.155 19178 5905 1 15 . 1 1 36 36 HIS H H 36 8.078 8.078 7.536 0.542 19178 5906 1 15 . 1 1 37 37 ASN N N 37 119.433 119.433 120.263 -0.830 19178 5907 1 15 . 1 1 37 37 ASN HA H 37 4.399 4.399 4.776 -0.377 19178 5908 1 15 . 1 1 37 37 ASN C C 37 173.906 173.906 175.298 -1.392 19178 5909 1 15 . 1 1 37 37 ASN CA C 37 56.407 56.407 54.401 2.006 19178 5910 1 15 . 1 1 37 37 ASN CB C 37 39.331 39.331 39.582 -0.251 19178 5911 1 15 . 1 1 37 37 ASN H H 37 8.386 8.386 8.748 -0.362 19178 5912 1 15 . 1 1 38 38 ASP N N 38 112.673 112.673 118.210 -5.537 19178 5913 1 15 . 1 1 38 38 ASP HA H 38 4.385 4.385 4.815 -0.430 19178 5914 1 15 . 1 1 38 38 ASP C C 38 175.841 175.841 175.172 0.669 19178 5915 1 15 . 1 1 38 38 ASP CA C 38 53.983 53.983 54.526 -0.543 19178 5916 1 15 . 1 1 38 38 ASP CB C 38 40.263 40.263 41.115 -0.852 19178 5917 1 15 . 1 1 38 38 ASP H H 38 8.880 8.880 8.523 0.357 19178 5918 1 15 . 1 1 39 39 VAL N N 39 124.385 124.385 119.182 5.203 19178 5919 1 15 . 1 1 39 39 VAL HA H 39 3.944 3.944 3.982 -0.038 19178 5920 1 15 . 1 1 39 39 VAL C C 39 173.731 173.731 174.453 -0.722 19178 5921 1 15 . 1 1 39 39 VAL CA C 39 63.514 63.514 61.867 1.647 19178 5922 1 15 . 1 1 39 39 VAL CB C 39 32.408 32.408 32.809 -0.401 19178 5923 1 15 . 1 1 39 39 VAL H H 39 8.253 8.253 7.731 0.522 19178 5924 1 15 . 1 1 40 40 ILE N N 40 128.130 128.130 127.555 0.575 19178 5925 1 15 . 1 1 40 40 ILE HA H 40 4.222 4.222 4.210 0.012 19178 5926 1 15 . 1 1 40 40 ILE C C 40 174.090 174.090 173.614 0.476 19178 5927 1 15 . 1 1 40 40 ILE CA C 40 60.635 60.635 58.952 1.683 19178 5928 1 15 . 1 1 40 40 ILE CB C 40 38.281 38.281 39.376 -1.095 19178 5929 1 15 . 1 1 40 40 ILE H H 40 7.836 7.836 7.744 0.092 19178 5930 1 15 . 1 1 41 41 LEU N N 41 124.924 124.924 127.866 -2.942 19178 5931 1 15 . 1 1 41 41 LEU HA H 41 4.884 4.884 4.555 0.329 19178 5932 1 15 . 1 1 41 41 LEU C C 41 175.989 175.989 174.889 1.100 19178 5933 1 15 . 1 1 41 41 LEU CA C 41 52.654 52.654 52.710 -0.056 19178 5934 1 15 . 1 1 41 41 LEU CB C 41 45.122 45.122 45.349 -0.227 19178 5935 1 15 . 1 1 41 41 LEU H H 41 8.836 8.836 8.747 0.089 19178 5936 1 15 . 1 1 42 42 ASP N N 42 119.247 119.247 119.300 -0.053 19178 5937 1 15 . 1 1 42 42 ASP HA H 42 4.858 4.858 4.709 0.149 19178 5938 1 15 . 1 1 42 42 ASP C C 42 176.128 176.128 175.484 0.644 19178 5939 1 15 . 1 1 42 42 ASP CA C 42 53.328 53.328 53.509 -0.181 19178 5940 1 15 . 1 1 42 42 ASP CB C 42 41.408 41.408 42.652 -1.244 19178 5941 1 15 . 1 1 42 42 ASP H H 42 8.725 8.725 8.428 0.298 19178 5942 1 15 . 1 1 43 43 SER N N 43 123.344 123.344 122.170 1.174 19178 5943 1 15 . 1 1 43 43 SER HA H 43 4.178 4.178 4.478 -0.300 19178 5944 1 15 . 1 1 43 43 SER C C 43 176.291 176.291 175.364 0.927 19178 5945 1 15 . 1 1 43 43 SER CA C 43 60.431 60.431 59.238 1.193 19178 5946 1 15 . 1 1 43 43 SER CB C 43 64.943 64.943 64.171 0.772 19178 5947 1 15 . 1 1 43 43 SER H H 43 8.462 8.462 8.193 0.269 19178 5948 1 15 . 1 1 44 44 GLY N N 44 112.184 112.184 108.718 3.466 19178 5949 1 15 . 1 1 44 44 GLY C C 44 174.525 174.525 173.585 0.940 19178 5950 1 15 . 1 1 44 44 GLY CA C 44 45.368 45.368 44.968 0.400 19178 5951 1 15 . 1 1 44 44 GLY H H 44 9.230 9.230 8.424 0.806 19178 5952 1 15 . 1 1 45 45 ASN N N 45 119.774 119.774 117.904 1.870 19178 5953 1 15 . 1 1 45 45 ASN HA H 45 4.681 4.681 4.971 -0.289 19178 5954 1 15 . 1 1 45 45 ASN C C 45 174.866 174.866 173.502 1.364 19178 5955 1 15 . 1 1 45 45 ASN CA C 45 52.807 52.807 51.577 1.230 19178 5956 1 15 . 1 1 45 45 ASN CB C 45 39.241 39.241 40.611 -1.370 19178 5957 1 15 . 1 1 45 45 ASN H H 45 8.486 8.486 8.064 0.422 19178 5958 1 15 . 1 1 46 46 ASP N N 46 120.223 120.223 119.371 0.852 19178 5959 1 15 . 1 1 46 46 ASP HA H 46 4.367 4.367 4.501 -0.134 19178 5960 1 15 . 1 1 46 46 ASP C C 46 177.272 177.272 176.280 0.992 19178 5961 1 15 . 1 1 46 46 ASP CA C 46 54.869 54.869 54.819 0.050 19178 5962 1 15 . 1 1 46 46 ASP CB C 46 42.461 42.461 40.409 2.052 19178 5963 1 15 . 1 1 46 46 ASP H H 46 8.387 8.387 8.578 -0.191 19178 5964 1 15 . 1 1 47 47 ALA N N 47 126.587 126.587 128.059 -1.472 19178 5965 1 15 . 1 1 47 47 ALA HA H 47 3.741 3.741 4.236 -0.495 19178 5966 1 15 . 1 1 47 47 ALA C C 47 177.980 177.980 179.176 -1.196 19178 5967 1 15 . 1 1 47 47 ALA CA C 47 53.866 53.866 53.993 -0.127 19178 5968 1 15 . 1 1 47 47 ALA CB C 47 16.554 16.554 19.100 -2.546 19178 5969 1 15 . 1 1 47 47 ALA H H 47 8.747 8.747 8.557 0.190 19178 5970 1 15 . 1 1 48 48 SER N N 48 115.463 115.463 115.008 0.455 19178 5971 1 15 . 1 1 48 48 SER HA H 48 4.203 4.203 4.352 -0.149 19178 5972 1 15 . 1 1 48 48 SER CA C 48 61.994 61.994 61.349 0.645 19178 5973 1 15 . 1 1 48 48 SER H H 48 8.973 8.973 8.556 0.417 19178 5974 1 15 . 1 1 49 49 SER C C 49 176.587 176.587 176.362 0.225 19178 5975 1 15 . 1 1 49 49 SER CA C 49 62.279 62.279 60.800 1.479 19178 5976 1 15 . 1 1 50 50 ALA N N 50 125.775 125.775 126.178 -0.403 19178 5977 1 15 . 1 1 50 50 ALA HA H 50 4.076 4.076 4.183 -0.107 19178 5978 1 15 . 1 1 50 50 ALA C C 50 179.125 179.125 179.663 -0.538 19178 5979 1 15 . 1 1 50 50 ALA CA C 50 54.822 54.822 54.459 0.363 19178 5980 1 15 . 1 1 50 50 ALA CB C 50 18.834 18.834 18.426 0.408 19178 5981 1 15 . 1 1 50 50 ALA H H 50 7.620 7.620 8.017 -0.397 19178 5982 1 15 . 1 1 51 51 TYR N N 51 117.562 117.562 119.147 -1.585 19178 5983 1 15 . 1 1 51 51 TYR HA H 51 4.275 4.275 4.082 0.193 19178 5984 1 15 . 1 1 51 51 TYR C C 51 179.622 179.622 178.360 1.262 19178 5985 1 15 . 1 1 51 51 TYR CA C 51 60.966 60.966 62.879 -1.913 19178 5986 1 15 . 1 1 51 51 TYR CB C 51 36.803 36.803 38.135 -1.332 19178 5987 1 15 . 1 1 51 51 TYR H H 51 7.397 7.397 8.521 -1.124 19178 5988 1 15 . 1 1 52 52 LYS N N 52 121.441 121.441 119.935 1.506 19178 5989 1 15 . 1 1 52 52 LYS HA H 52 4.103 4.103 4.016 0.087 19178 5990 1 15 . 1 1 52 52 LYS C C 52 179.041 179.041 178.849 0.192 19178 5991 1 15 . 1 1 52 52 LYS CA C 52 59.827 59.827 59.034 0.793 19178 5992 1 15 . 1 1 52 52 LYS H H 52 8.332 8.332 8.137 0.195 19178 5993 1 15 . 1 1 53 53 LEU N N 53 122.286 122.286 119.593 2.693 19178 5994 1 15 . 1 1 53 53 LEU HA H 53 4.376 4.376 3.983 0.393 19178 5995 1 15 . 1 1 53 53 LEU C C 53 178.373 178.373 178.884 -0.511 19178 5996 1 15 . 1 1 53 53 LEU CA C 53 57.863 57.863 57.568 0.295 19178 5997 1 15 . 1 1 53 53 LEU CB C 53 41.288 41.288 41.535 -0.247 19178 5998 1 15 . 1 1 53 53 LEU H H 53 7.671 7.671 8.221 -0.550 19178 5999 1 15 . 1 1 54 54 GLY N N 54 127.824 127.824 106.077 21.747 19178 6000 1 15 . 1 1 54 54 GLY C C 54 174.865 174.865 176.000 -1.135 19178 6001 1 15 . 1 1 54 54 GLY CA C 54 47.971 47.971 47.112 0.859 19178 6002 1 15 . 1 1 54 54 GLY H H 54 9.020 9.020 8.592 0.428 19178 6003 1 15 . 1 1 55 55 THR N N 55 117.961 117.961 120.096 -2.135 19178 6004 1 15 . 1 1 55 55 THR HA H 55 4.445 4.445 4.197 0.247 19178 6005 1 15 . 1 1 55 55 THR C C 55 175.188 175.188 176.659 -1.471 19178 6006 1 15 . 1 1 55 55 THR CA C 55 67.593 67.593 68.243 -0.650 19178 6007 1 15 . 1 1 55 55 THR H H 55 8.123 8.123 8.390 -0.267 19178 6008 1 15 . 1 1 56 56 TYR N N 56 122.294 122.294 120.636 1.658 19178 6009 1 15 . 1 1 56 56 TYR HA H 56 4.346 4.346 4.435 -0.089 19178 6010 1 15 . 1 1 56 56 TYR C C 56 177.909 177.909 178.252 -0.343 19178 6011 1 15 . 1 1 56 56 TYR CA C 56 61.147 61.147 60.311 0.836 19178 6012 1 15 . 1 1 56 56 TYR CB C 56 37.981 37.981 37.914 0.067 19178 6013 1 15 . 1 1 56 56 TYR H H 56 7.697 7.697 8.528 -0.831 19178 6014 1 15 . 1 1 57 57 LEU N N 57 118.703 118.703 120.861 -2.158 19178 6015 1 15 . 1 1 57 57 LEU HA H 57 3.914 3.914 4.134 -0.220 19178 6016 1 15 . 1 1 57 57 LEU C C 57 180.087 180.087 177.716 2.371 19178 6017 1 15 . 1 1 57 57 LEU CA C 57 57.780 57.780 57.591 0.189 19178 6018 1 15 . 1 1 57 57 LEU CB C 57 42.026 42.026 41.195 0.831 19178 6019 1 15 . 1 1 57 57 LEU H H 57 8.909 8.909 7.887 1.022 19178 6020 1 15 . 1 1 58 58 TYR N N 58 120.667 120.667 117.424 3.243 19178 6021 1 15 . 1 1 58 58 TYR HA H 58 4.209 4.209 4.487 -0.278 19178 6022 1 15 . 1 1 58 58 TYR C C 58 177.511 177.511 177.692 -0.181 19178 6023 1 15 . 1 1 58 58 TYR CA C 58 61.641 61.641 60.013 1.629 19178 6024 1 15 . 1 1 58 58 TYR H H 58 8.971 8.971 8.310 0.661 19178 6025 1 15 . 1 1 59 59 GLN N N 59 119.344 119.344 118.417 0.927 19178 6026 1 15 . 1 1 59 59 GLN HA H 59 4.668 4.668 4.417 0.251 19178 6027 1 15 . 1 1 59 59 GLN C C 59 179.270 179.270 175.713 3.557 19178 6028 1 15 . 1 1 59 59 GLN H H 59 8.378 8.378 8.388 -0.010 19178 6029 1 15 . 1 1 67 67 PHE HA H 67 4.852 4.852 4.367 0.485 19178 6030 1 15 . 1 1 67 67 PHE C C 67 175.889 175.889 175.538 0.351 19178 6031 1 15 . 1 1 67 67 PHE CA C 67 55.576 55.576 58.838 -3.262 19178 6032 1 15 . 1 1 67 67 PHE CB C 67 42.444 42.444 39.203 3.241 19178 6033 1 15 . 1 1 68 68 ASN N N 68 120.775 120.775 118.606 2.169 19178 6034 1 15 . 1 1 68 68 ASN C C 68 175.338 175.338 174.147 1.191 19178 6035 1 15 . 1 1 68 68 ASN CA C 68 55.092 55.092 54.263 0.829 19178 6036 1 15 . 1 1 68 68 ASN CB C 68 40.006 40.006 38.934 1.072 19178 6037 1 15 . 1 1 68 68 ASN H H 68 9.560 9.560 7.834 1.726 19178 6038 1 15 . 1 1 69 69 THR N N 69 127.914 127.914 113.189 14.725 19178 6039 1 15 . 1 1 69 69 THR HA H 69 4.732 4.732 4.605 0.127 19178 6040 1 15 . 1 1 69 69 THR C C 69 173.530 173.530 175.150 -1.620 19178 6041 1 15 . 1 1 69 69 THR CA C 69 58.877 58.877 60.575 -1.698 19178 6042 1 15 . 1 1 69 69 THR CB C 69 73.620 73.620 71.777 1.843 19178 6043 1 15 . 1 1 69 69 THR H H 69 7.237 7.237 7.936 -0.699 19178 6044 1 15 . 1 1 70 70 LEU N N 70 122.013 122.013 125.310 -3.297 19178 6045 1 15 . 1 1 70 70 LEU HA H 70 3.005 3.005 4.260 -1.255 19178 6046 1 15 . 1 1 70 70 LEU C C 70 178.252 178.252 178.273 -0.021 19178 6047 1 15 . 1 1 70 70 LEU CA C 70 56.721 56.721 57.234 -0.513 19178 6048 1 15 . 1 1 70 70 LEU CB C 70 41.199 41.199 41.456 -0.257 19178 6049 1 15 . 1 1 70 70 LEU H H 70 8.614 8.614 8.748 -0.134 19178 6050 1 15 . 1 1 71 71 THR N N 71 114.041 114.041 113.783 0.258 19178 6051 1 15 . 1 1 71 71 THR HA H 71 3.620 3.620 3.891 -0.271 19178 6052 1 15 . 1 1 71 71 THR C C 71 175.400 175.400 176.486 -1.086 19178 6053 1 15 . 1 1 71 71 THR CA C 71 66.405 66.405 66.773 -0.368 19178 6054 1 15 . 1 1 71 71 THR CB C 71 68.517 68.517 68.242 0.275 19178 6055 1 15 . 1 1 71 71 THR H H 71 7.694 7.694 8.255 -0.561 19178 6056 1 15 . 1 1 72 72 GLU N N 72 120.141 120.141 121.140 -0.999 19178 6057 1 15 . 1 1 72 72 GLU HA H 72 3.997 3.997 4.068 -0.071 19178 6058 1 15 . 1 1 72 72 GLU C C 72 178.982 178.982 178.014 0.968 19178 6059 1 15 . 1 1 72 72 GLU CA C 72 59.250 59.250 59.187 0.063 19178 6060 1 15 . 1 1 72 72 GLU CB C 72 30.907 30.907 28.940 1.967 19178 6061 1 15 . 1 1 72 72 GLU H H 72 7.514 7.514 7.633 -0.119 19178 6062 1 15 . 1 1 73 73 ALA N N 73 123.400 123.400 122.669 0.731 19178 6063 1 15 . 1 1 73 73 ALA HA H 73 2.167 2.167 3.562 -1.395 19178 6064 1 15 . 1 1 73 73 ALA C C 73 178.959 178.959 179.626 -0.667 19178 6065 1 15 . 1 1 73 73 ALA CA C 73 54.323 54.323 54.682 -0.359 19178 6066 1 15 . 1 1 73 73 ALA CB C 73 17.561 17.561 17.352 0.209 19178 6067 1 15 . 1 1 73 73 ALA H H 73 6.788 6.788 7.207 -0.419 19178 6068 1 15 . 1 1 74 74 ARG N N 74 116.272 116.272 118.040 -1.768 19178 6069 1 15 . 1 1 74 74 ARG HA H 74 3.887 3.887 4.106 -0.219 19178 6070 1 15 . 1 1 74 74 ARG C C 74 179.230 179.230 178.474 0.756 19178 6071 1 15 . 1 1 74 74 ARG CA C 74 60.442 60.442 59.359 1.083 19178 6072 1 15 . 1 1 74 74 ARG CB C 74 29.878 29.878 29.887 -0.009 19178 6073 1 15 . 1 1 74 74 ARG H H 74 8.145 8.145 8.532 -0.387 19178 6074 1 15 . 1 1 75 75 ASP N N 75 120.487 120.487 118.023 2.464 19178 6075 1 15 . 1 1 75 75 ASP HA H 75 4.446 4.446 4.509 -0.063 19178 6076 1 15 . 1 1 75 75 ASP C C 75 178.040 178.040 177.822 0.218 19178 6077 1 15 . 1 1 75 75 ASP CA C 75 57.166 57.166 57.021 0.145 19178 6078 1 15 . 1 1 75 75 ASP CB C 75 39.687 39.687 40.850 -1.163 19178 6079 1 15 . 1 1 75 75 ASP H H 75 8.594 8.594 7.990 0.604 19178 6080 1 15 . 1 1 76 76 ALA N N 76 122.773 122.773 122.951 -0.178 19178 6081 1 15 . 1 1 76 76 ALA HA H 76 4.345 4.345 4.039 0.306 19178 6082 1 15 . 1 1 76 76 ALA C C 76 181.221 181.221 179.589 1.632 19178 6083 1 15 . 1 1 76 76 ALA CA C 76 55.245 55.245 55.297 -0.052 19178 6084 1 15 . 1 1 76 76 ALA CB C 76 18.316 18.316 18.473 -0.157 19178 6085 1 15 . 1 1 76 76 ALA H H 76 7.668 7.668 7.887 -0.219 19178 6086 1 15 . 1 1 77 77 ILE N N 77 120.254 120.254 115.845 4.409 19178 6087 1 15 . 1 1 77 77 ILE HA H 77 3.632 3.632 3.837 -0.205 19178 6088 1 15 . 1 1 77 77 ILE C C 77 176.567 176.567 177.469 -0.902 19178 6089 1 15 . 1 1 77 77 ILE CA C 77 66.365 66.365 64.077 2.288 19178 6090 1 15 . 1 1 77 77 ILE CB C 77 37.947 37.947 37.159 0.788 19178 6091 1 15 . 1 1 77 77 ILE H H 77 7.724 7.724 8.229 -0.505 19178 6092 1 15 . 1 1 78 78 LYS N N 78 122.773 122.773 120.233 2.540 19178 6093 1 15 . 1 1 78 78 LYS HA H 78 4.265 4.265 3.918 0.347 19178 6094 1 15 . 1 1 78 78 LYS C C 78 178.382 178.382 178.792 -0.410 19178 6095 1 15 . 1 1 78 78 LYS CA C 78 60.442 60.442 58.954 1.488 19178 6096 1 15 . 1 1 78 78 LYS CB C 78 33.021 33.021 31.290 1.731 19178 6097 1 15 . 1 1 78 78 LYS H H 78 8.465 8.465 8.205 0.260 19178 6098 1 15 . 1 1 79 79 ASP N N 79 118.165 118.165 120.041 -1.876 19178 6099 1 15 . 1 1 79 79 ASP HA H 79 4.353 4.353 4.483 -0.130 19178 6100 1 15 . 1 1 79 79 ASP C C 79 179.289 179.289 178.192 1.097 19178 6101 1 15 . 1 1 79 79 ASP CA C 79 57.245 57.245 57.048 0.197 19178 6102 1 15 . 1 1 79 79 ASP H H 79 8.541 8.541 8.308 0.233 19178 6103 1 15 . 1 1 80 80 ALA N N 80 122.362 122.362 123.122 -0.760 19178 6104 1 15 . 1 1 80 80 ALA HA H 80 4.340 4.340 4.228 0.112 19178 6105 1 15 . 1 1 80 80 ALA C C 80 179.265 179.265 180.190 -0.925 19178 6106 1 15 . 1 1 80 80 ALA CA C 80 54.979 54.979 55.208 -0.229 19178 6107 1 15 . 1 1 80 80 ALA CB C 80 18.254 18.254 18.592 -0.338 19178 6108 1 15 . 1 1 80 80 ALA H H 80 7.727 7.727 8.018 -0.291 19178 6109 1 15 . 1 1 81 81 TYR N N 81 118.882 118.882 117.882 1.000 19178 6110 1 15 . 1 1 81 81 TYR HA H 81 4.115 4.115 4.217 -0.102 19178 6111 1 15 . 1 1 81 81 TYR C C 81 178.146 178.146 178.876 -0.730 19178 6112 1 15 . 1 1 81 81 TYR CA C 81 61.635 61.635 60.586 1.049 19178 6113 1 15 . 1 1 81 81 TYR CB C 81 38.115 38.115 38.074 0.041 19178 6114 1 15 . 1 1 81 81 TYR H H 81 9.037 9.037 9.202 -0.165 19178 6115 1 15 . 1 1 82 82 GLU N N 82 116.630 116.630 117.960 -1.330 19178 6116 1 15 . 1 1 82 82 GLU HA H 82 3.816 3.816 4.215 -0.399 19178 6117 1 15 . 1 1 82 82 GLU C C 82 178.664 178.664 178.641 0.023 19178 6118 1 15 . 1 1 82 82 GLU CA C 82 59.304 59.304 58.645 0.659 19178 6119 1 15 . 1 1 82 82 GLU CB C 82 28.848 28.848 29.395 -0.547 19178 6120 1 15 . 1 1 82 82 GLU H H 82 8.854 8.854 8.228 0.626 19178 6121 1 15 . 1 1 83 83 SER N N 83 114.004 114.004 114.834 -0.830 19178 6122 1 15 . 1 1 83 83 SER HA H 83 4.164 4.164 4.184 -0.020 19178 6123 1 15 . 1 1 83 83 SER C C 83 174.387 174.387 175.687 -1.300 19178 6124 1 15 . 1 1 83 83 SER CA C 83 61.038 61.038 60.853 0.185 19178 6125 1 15 . 1 1 83 83 SER CB C 83 63.152 63.152 63.441 -0.289 19178 6126 1 15 . 1 1 83 83 SER H H 83 7.573 7.573 8.275 -0.702 19178 6127 1 15 . 1 1 84 84 TYR N N 84 117.323 117.323 117.515 -0.192 19178 6128 1 15 . 1 1 84 84 TYR HA H 84 4.595 4.595 4.749 -0.154 19178 6129 1 15 . 1 1 84 84 TYR C C 84 174.434 174.434 175.260 -0.826 19178 6130 1 15 . 1 1 84 84 TYR CA C 84 58.871 58.871 56.344 2.527 19178 6131 1 15 . 1 1 84 84 TYR CB C 84 41.746 41.746 38.388 3.358 19178 6132 1 15 . 1 1 84 84 TYR H H 84 7.319 7.319 8.174 -0.855 19178 6133 1 15 . 1 1 85 85 CYS N N 85 118.762 118.762 120.372 -1.610 19178 6134 1 15 . 1 1 85 85 CYS HA H 85 3.940 3.940 4.078 -0.138 19178 6135 1 15 . 1 1 85 85 CYS C C 85 176.178 176.178 176.361 -0.183 19178 6136 1 15 . 1 1 85 85 CYS CA C 85 58.817 58.817 61.628 -2.811 19178 6137 1 15 . 1 1 85 85 CYS CB C 85 26.042 26.042 28.408 -2.366 19178 6138 1 15 . 1 1 85 85 CYS H H 85 7.670 7.670 8.059 -0.389 19178 6139 1 15 . 1 1 86 86 GLY N N 86 113.730 113.730 116.117 -2.387 19178 6140 1 15 . 1 1 86 86 GLY C C 86 174.587 174.587 173.558 1.029 19178 6141 1 15 . 1 1 86 86 GLY CA C 86 45.214 45.214 44.796 0.418 19178 6142 1 15 . 1 1 86 86 GLY H H 86 10.799 10.799 8.709 2.090 19178 6143 1 15 . 1 1 87 87 ILE N N 87 122.743 122.743 121.502 1.241 19178 6144 1 15 . 1 1 87 87 ILE HA H 87 4.291 4.291 4.299 -0.008 19178 6145 1 15 . 1 1 87 87 ILE C C 87 174.340 174.340 174.029 0.311 19178 6146 1 15 . 1 1 87 87 ILE CA C 87 60.968 60.968 60.805 0.163 19178 6147 1 15 . 1 1 87 87 ILE CB C 87 35.512 35.512 38.522 -3.010 19178 6148 1 15 . 1 1 87 87 ILE H H 87 8.023 8.023 8.039 -0.016 19178 6149 1 15 . 1 1 88 88 ASP N N 88 125.059 125.059 124.667 0.392 19178 6150 1 15 . 1 1 88 88 ASP HA H 88 4.750 4.750 4.931 -0.181 19178 6151 1 15 . 1 1 88 88 ASP C C 88 175.895 175.895 174.700 1.195 19178 6152 1 15 . 1 1 88 88 ASP CA C 88 54.319 54.319 53.144 1.175 19178 6153 1 15 . 1 1 88 88 ASP CB C 88 41.692 41.692 42.472 -0.780 19178 6154 1 15 . 1 1 88 88 ASP H H 88 8.127 8.127 8.828 -0.701 19178 6155 1 15 . 1 1 89 89 ASP N N 89 117.971 117.971 118.318 -0.347 19178 6156 1 15 . 1 1 89 89 ASP HA H 89 4.822 4.822 4.631 0.191 19178 6157 1 15 . 1 1 89 89 ASP C C 89 174.069 174.069 175.464 -1.395 19178 6158 1 15 . 1 1 89 89 ASP CA C 89 52.369 52.369 52.340 0.029 19178 6159 1 15 . 1 1 89 89 ASP CB C 89 43.625 43.625 42.825 0.800 19178 6160 1 15 . 1 1 89 89 ASP H H 89 7.617 7.617 7.717 -0.100 19178 6161 1 15 . 1 1 90 90 CYS N N 90 126.238 126.238 122.182 4.056 19178 6162 1 15 . 1 1 90 90 CYS C C 90 175.636 175.636 175.106 0.530 19178 6163 1 15 . 1 1 90 90 CYS CA C 90 56.215 56.215 57.128 -0.913 19178 6164 1 15 . 1 1 90 90 CYS H H 90 8.936 8.936 8.562 0.374 19178 6165 1 15 . 1 1 91 91 PRO HA H 91 4.460 4.460 4.202 0.258 19178 6166 1 15 . 1 1 91 91 PRO C C 91 178.629 178.629 178.175 0.454 19178 6167 1 15 . 1 1 91 91 PRO CA C 91 64.614 64.614 64.661 -0.047 19178 6168 1 15 . 1 1 91 91 PRO CB C 91 32.208 32.208 32.171 0.037 19178 6169 1 15 . 1 1 92 92 GLN N N 92 119.363 119.363 117.572 1.791 19178 6170 1 15 . 1 1 92 92 GLN HA H 92 4.060 4.060 3.618 0.442 19178 6171 1 15 . 1 1 92 92 GLN C C 92 178.181 178.181 178.005 0.176 19178 6172 1 15 . 1 1 92 92 GLN CA C 92 57.837 57.837 58.331 -0.494 19178 6173 1 15 . 1 1 92 92 GLN CB C 92 28.252 28.252 27.243 1.009 19178 6174 1 15 . 1 1 92 92 GLN H H 92 8.253 8.253 8.350 -0.096 19178 6175 1 15 . 1 1 93 93 CYS N N 93 124.725 124.725 117.643 7.082 19178 6176 1 15 . 1 1 93 93 CYS HA H 93 4.269 4.269 4.332 -0.063 19178 6177 1 15 . 1 1 93 93 CYS C C 93 177.180 177.180 176.245 0.935 19178 6178 1 15 . 1 1 93 93 CYS CA C 93 64.366 64.366 62.135 2.231 19178 6179 1 15 . 1 1 93 93 CYS CB C 93 30.379 30.379 26.286 4.093 19178 6180 1 15 . 1 1 93 93 CYS H H 93 8.581 8.581 7.542 1.039 19178 6181 1 15 . 1 1 94 94 SER N N 94 113.467 113.467 113.403 0.064 19178 6182 1 15 . 1 1 94 94 SER HA H 94 4.277 4.277 4.288 -0.011 19178 6183 1 15 . 1 1 94 94 SER C C 94 174.481 174.481 175.906 -1.425 19178 6184 1 15 . 1 1 94 94 SER CA C 94 59.432 59.432 60.829 -1.397 19178 6185 1 15 . 1 1 94 94 SER CB C 94 63.217 63.217 63.111 0.106 19178 6186 1 15 . 1 1 94 94 SER H H 94 7.753 7.753 7.545 0.208 19178 6187 1 15 . 1 1 95 95 LYS N N 95 121.369 121.369 121.197 0.172 19178 6188 1 15 . 1 1 95 95 LYS HA H 95 4.211 4.211 4.154 0.057 19178 6189 1 15 . 1 1 95 95 LYS C C 95 176.237 176.237 177.132 -0.895 19178 6190 1 15 . 1 1 95 95 LYS CA C 95 56.622 56.622 57.414 -0.792 19178 6191 1 15 . 1 1 95 95 LYS CB C 95 32.756 32.756 33.032 -0.276 19178 6192 1 15 . 1 1 95 95 LYS H H 95 7.520 7.520 7.576 -0.056 19178 6193 1 15 . 1 1 96 96 TYR N N 96 121.000 121.000 118.799 2.201 19178 6194 1 15 . 1 1 96 96 TYR HA H 96 4.559 4.559 4.585 -0.026 19178 6195 1 15 . 1 1 96 96 TYR C C 96 175.577 175.577 175.544 0.033 19178 6196 1 15 . 1 1 96 96 TYR CA C 96 58.039 58.039 55.919 2.120 19178 6197 1 15 . 1 1 96 96 TYR CB C 96 38.694 38.694 38.156 0.538 19178 6198 1 15 . 1 1 96 96 TYR H H 96 8.005 8.005 7.756 0.249 19178 6199 1 15 . 1 1 97 97 ILE N N 97 123.003 123.003 125.055 -2.052 19178 6200 1 15 . 1 1 97 97 ILE HA H 97 4.120 4.120 4.160 -0.040 19178 6201 1 15 . 1 1 97 97 ILE C C 97 175.194 175.194 176.256 -1.062 19178 6202 1 15 . 1 1 97 97 ILE CA C 97 60.929 60.929 60.481 0.448 19178 6203 1 15 . 1 1 97 97 ILE CB C 97 39.044 39.044 39.255 -0.211 19178 6204 1 15 . 1 1 97 97 ILE H H 97 7.832 7.832 8.432 -0.600 19178 6205 1 15 . 1 1 98 98 ASP N N 98 125.070 125.070 125.141 -0.071 19178 6206 1 15 . 1 1 98 98 ASP HA H 98 4.627 4.627 4.724 -0.097 19178 6207 1 15 . 1 1 98 98 ASP C C 98 174.976 174.976 175.742 -0.766 19178 6208 1 15 . 1 1 98 98 ASP CA C 98 54.184 54.184 53.992 0.192 19178 6209 1 15 . 1 1 98 98 ASP CB C 98 41.502 41.502 40.947 0.555 19178 6210 1 15 . 1 1 98 98 ASP H H 98 8.245 8.245 8.414 -0.169 19178 6211 1 16 . 1 1 16 16 GLN HA H 16 4.330 4.330 4.144 0.186 19178 6212 1 16 . 1 1 17 17 GLU N N 17 119.126 119.126 119.876 -0.750 19178 6213 1 16 . 1 1 17 17 GLU HA H 17 4.329 4.329 4.258 0.071 19178 6214 1 16 . 1 1 17 17 GLU H H 17 8.422 8.422 9.125 -0.703 19178 6215 1 16 . 1 1 18 18 GLN N N 18 120.450 120.450 117.923 2.527 19178 6216 1 16 . 1 1 18 18 GLN HA H 18 4.081 4.081 4.164 -0.083 19178 6217 1 16 . 1 1 18 18 GLN H H 18 8.729 8.729 8.813 -0.084 19178 6218 1 16 . 1 1 19 19 TRP N N 19 121.902 121.902 121.609 0.293 19178 6219 1 16 . 1 1 19 19 TRP HA H 19 4.125 4.125 4.362 -0.237 19178 6220 1 16 . 1 1 19 19 TRP C C 19 179.400 179.400 176.477 2.923 19178 6221 1 16 . 1 1 19 19 TRP CA C 19 62.361 62.361 60.529 1.831 19178 6222 1 16 . 1 1 19 19 TRP CB C 19 29.938 29.938 29.322 0.616 19178 6223 1 16 . 1 1 19 19 TRP H H 19 8.561 8.561 7.555 1.006 19178 6224 1 16 . 1 1 20 20 ALA N N 20 122.759 122.759 121.351 1.408 19178 6225 1 16 . 1 1 20 20 ALA HA H 20 3.815 3.815 3.680 0.135 19178 6226 1 16 . 1 1 20 20 ALA C C 20 180.433 180.433 179.348 1.085 19178 6227 1 16 . 1 1 20 20 ALA CA C 20 55.619 55.619 54.556 1.062 19178 6228 1 16 . 1 1 20 20 ALA CB C 20 18.474 18.474 18.439 0.035 19178 6229 1 16 . 1 1 20 20 ALA H H 20 8.828 8.828 7.358 1.470 19178 6230 1 16 . 1 1 21 21 MET N N 21 117.474 117.474 115.995 1.479 19178 6231 1 16 . 1 1 21 21 MET HA H 21 4.479 4.479 4.024 0.455 19178 6232 1 16 . 1 1 21 21 MET C C 21 178.744 178.744 178.549 0.195 19178 6233 1 16 . 1 1 21 21 MET CA C 21 56.778 56.778 57.987 -1.209 19178 6234 1 16 . 1 1 21 21 MET CB C 21 29.956 29.956 31.694 -1.738 19178 6235 1 16 . 1 1 21 21 MET H H 21 8.702 8.702 8.115 0.587 19178 6236 1 16 . 1 1 22 22 GLN N N 22 119.738 119.738 118.809 0.929 19178 6237 1 16 . 1 1 22 22 GLN HA H 22 4.025 4.025 3.847 0.178 19178 6238 1 16 . 1 1 22 22 GLN C C 22 180.104 180.104 178.297 1.807 19178 6239 1 16 . 1 1 22 22 GLN CA C 22 58.872 58.872 59.258 -0.386 19178 6240 1 16 . 1 1 22 22 GLN CB C 22 27.880 27.880 27.929 -0.049 19178 6241 1 16 . 1 1 22 22 GLN H H 22 8.531 8.531 7.479 1.052 19178 6242 1 16 . 1 1 23 23 THR N N 23 117.049 117.049 115.740 1.309 19178 6243 1 16 . 1 1 23 23 THR HA H 23 3.715 3.715 3.889 -0.174 19178 6244 1 16 . 1 1 23 23 THR C C 23 177.477 177.477 176.183 1.294 19178 6245 1 16 . 1 1 23 23 THR CA C 23 66.380 66.380 65.778 0.602 19178 6246 1 16 . 1 1 23 23 THR CB C 23 67.579 67.579 68.238 -0.659 19178 6247 1 16 . 1 1 23 23 THR H H 23 7.752 7.752 7.616 0.136 19178 6248 1 16 . 1 1 24 24 LEU N N 24 125.735 125.735 122.065 3.670 19178 6249 1 16 . 1 1 24 24 LEU HA H 24 3.731 3.731 3.853 -0.122 19178 6250 1 16 . 1 1 24 24 LEU C C 24 178.544 178.544 179.220 -0.676 19178 6251 1 16 . 1 1 24 24 LEU CA C 24 58.882 58.882 58.072 0.810 19178 6252 1 16 . 1 1 24 24 LEU CB C 24 41.550 41.550 41.905 -0.355 19178 6253 1 16 . 1 1 24 24 LEU H H 24 7.886 7.886 7.360 0.526 19178 6254 1 16 . 1 1 25 25 MET N N 25 118.622 118.622 116.662 1.960 19178 6255 1 16 . 1 1 25 25 MET HA H 25 4.717 4.717 4.500 0.217 19178 6256 1 16 . 1 1 25 25 MET C C 25 181.465 181.465 178.124 3.341 19178 6257 1 16 . 1 1 25 25 MET CA C 25 55.604 55.604 58.116 -2.512 19178 6258 1 16 . 1 1 25 25 MET CB C 25 32.071 32.071 32.701 -0.630 19178 6259 1 16 . 1 1 25 25 MET H H 25 8.619 8.619 8.349 0.270 19178 6260 1 16 . 1 1 26 26 GLY N N 26 110.755 110.755 107.838 2.917 19178 6261 1 16 . 1 1 26 26 GLY C C 26 174.662 174.662 175.524 -0.862 19178 6262 1 16 . 1 1 26 26 GLY CA C 26 46.788 46.788 45.935 0.853 19178 6263 1 16 . 1 1 26 26 GLY H H 26 8.953 8.953 8.237 0.716 19178 6264 1 16 . 1 1 27 27 SER N N 27 109.977 109.977 115.448 -5.471 19178 6265 1 16 . 1 1 27 27 SER HA H 27 4.422 4.422 4.232 0.190 19178 6266 1 16 . 1 1 27 27 SER C C 27 175.612 175.612 175.736 -0.124 19178 6267 1 16 . 1 1 27 27 SER CA C 27 58.309 58.309 58.850 -0.541 19178 6268 1 16 . 1 1 27 27 SER CB C 27 64.423 64.423 63.505 0.918 19178 6269 1 16 . 1 1 27 27 SER H H 27 7.335 7.335 7.630 -0.295 19178 6270 1 16 . 1 1 28 28 GLY N N 28 110.105 110.105 108.901 1.204 19178 6271 1 16 . 1 1 28 28 GLY C C 28 174.029 174.029 174.993 -0.964 19178 6272 1 16 . 1 1 28 28 GLY CA C 28 45.371 45.371 45.279 0.092 19178 6273 1 16 . 1 1 28 28 GLY H H 28 7.536 7.536 7.732 -0.196 19178 6274 1 16 . 1 1 29 29 VAL N N 29 121.444 121.444 121.315 0.129 19178 6275 1 16 . 1 1 29 29 VAL HA H 29 4.720 4.720 3.784 0.936 19178 6276 1 16 . 1 1 29 29 VAL C C 29 177.149 177.149 175.633 1.516 19178 6277 1 16 . 1 1 29 29 VAL CA C 29 66.474 66.474 65.337 1.137 19178 6278 1 16 . 1 1 29 29 VAL CB C 29 32.694 32.694 32.311 0.383 19178 6279 1 16 . 1 1 29 29 VAL H H 29 7.738 7.738 7.501 0.237 19178 6280 1 16 . 1 1 30 30 LEU N N 30 115.594 115.594 116.706 -1.112 19178 6281 1 16 . 1 1 30 30 LEU HA H 30 5.349 5.349 4.762 0.587 19178 6282 1 16 . 1 1 30 30 LEU C C 30 174.427 174.427 175.145 -0.718 19178 6283 1 16 . 1 1 30 30 LEU CA C 30 52.231 52.231 53.094 -0.863 19178 6284 1 16 . 1 1 30 30 LEU CB C 30 43.525 43.525 44.681 -1.156 19178 6285 1 16 . 1 1 30 30 LEU H H 30 7.090 7.090 7.227 -0.137 19178 6286 1 16 . 1 1 31 31 ALA N N 31 122.020 122.020 121.481 0.539 19178 6287 1 16 . 1 1 31 31 ALA HA H 31 4.539 4.539 4.613 -0.074 19178 6288 1 16 . 1 1 31 31 ALA C C 31 175.130 175.130 176.069 -0.939 19178 6289 1 16 . 1 1 31 31 ALA CA C 31 50.963 50.963 50.836 0.127 19178 6290 1 16 . 1 1 31 31 ALA CB C 31 22.314 22.314 21.291 1.023 19178 6291 1 16 . 1 1 31 31 ALA H H 31 8.981 8.981 8.491 0.490 19178 6292 1 16 . 1 1 32 32 ARG N N 32 118.606 118.606 123.381 -4.775 19178 6293 1 16 . 1 1 32 32 ARG HA H 32 5.342 5.342 4.557 0.785 19178 6294 1 16 . 1 1 32 32 ARG C C 32 178.051 178.051 175.599 2.452 19178 6295 1 16 . 1 1 32 32 ARG CA C 32 54.543 54.543 54.999 -0.456 19178 6296 1 16 . 1 1 32 32 ARG CB C 32 31.485 31.485 30.899 0.586 19178 6297 1 16 . 1 1 32 32 ARG H H 32 8.223 8.223 8.466 -0.243 19178 6298 1 16 . 1 1 33 33 CYS N N 33 125.750 125.750 122.926 2.824 19178 6299 1 16 . 1 1 33 33 CYS HA H 33 4.117 4.117 4.566 -0.449 19178 6300 1 16 . 1 1 33 33 CYS C C 33 175.978 175.978 176.392 -0.414 19178 6301 1 16 . 1 1 33 33 CYS CA C 33 60.620 60.620 58.878 1.742 19178 6302 1 16 . 1 1 33 33 CYS CB C 33 27.213 27.213 27.991 -0.778 19178 6303 1 16 . 1 1 33 33 CYS H H 33 8.314 8.314 8.428 -0.114 19178 6304 1 16 . 1 1 34 34 ARG N N 34 128.053 128.053 127.040 1.013 19178 6305 1 16 . 1 1 34 34 ARG HA H 34 3.926 3.926 4.162 -0.236 19178 6306 1 16 . 1 1 34 34 ARG C C 34 176.565 176.565 176.103 0.462 19178 6307 1 16 . 1 1 34 34 ARG CA C 34 58.719 58.719 58.541 0.178 19178 6308 1 16 . 1 1 34 34 ARG CB C 34 30.159 30.159 29.849 0.309 19178 6309 1 16 . 1 1 34 34 ARG H H 34 8.578 8.578 8.977 -0.399 19178 6310 1 16 . 1 1 35 35 ILE N N 35 122.502 122.502 117.662 4.840 19178 6311 1 16 . 1 1 35 35 ILE HA H 35 3.843 3.843 4.065 -0.222 19178 6312 1 16 . 1 1 35 35 ILE C C 35 176.028 176.028 174.976 1.052 19178 6313 1 16 . 1 1 35 35 ILE CA C 35 62.035 62.035 61.409 0.626 19178 6314 1 16 . 1 1 35 35 ILE CB C 35 39.125 39.125 39.033 0.092 19178 6315 1 16 . 1 1 35 35 ILE H H 35 8.932 8.932 8.008 0.924 19178 6316 1 16 . 1 1 36 36 HIS N N 36 121.974 121.974 114.633 7.341 19178 6317 1 16 . 1 1 36 36 HIS HA H 36 4.569 4.569 4.861 -0.292 19178 6318 1 16 . 1 1 36 36 HIS CB C 36 31.187 31.187 31.678 -0.491 19178 6319 1 16 . 1 1 36 36 HIS H H 36 8.078 8.078 7.158 0.920 19178 6320 1 16 . 1 1 37 37 ASN N N 37 119.433 119.433 120.948 -1.515 19178 6321 1 16 . 1 1 37 37 ASN HA H 37 4.399 4.399 4.601 -0.202 19178 6322 1 16 . 1 1 37 37 ASN C C 37 173.906 173.906 175.192 -1.286 19178 6323 1 16 . 1 1 37 37 ASN CA C 37 56.407 56.407 54.111 2.296 19178 6324 1 16 . 1 1 37 37 ASN CB C 37 39.331 39.331 39.089 0.242 19178 6325 1 16 . 1 1 37 37 ASN H H 37 8.386 8.386 8.666 -0.280 19178 6326 1 16 . 1 1 38 38 ASP N N 38 112.673 112.673 118.129 -5.456 19178 6327 1 16 . 1 1 38 38 ASP HA H 38 4.385 4.385 4.642 -0.257 19178 6328 1 16 . 1 1 38 38 ASP C C 38 175.841 175.841 174.733 1.108 19178 6329 1 16 . 1 1 38 38 ASP CA C 38 53.983 53.983 53.929 0.054 19178 6330 1 16 . 1 1 38 38 ASP CB C 38 40.263 40.263 39.886 0.377 19178 6331 1 16 . 1 1 38 38 ASP H H 38 8.880 8.880 8.352 0.528 19178 6332 1 16 . 1 1 39 39 VAL N N 39 124.385 124.385 120.777 3.608 19178 6333 1 16 . 1 1 39 39 VAL HA H 39 3.944 3.944 4.048 -0.104 19178 6334 1 16 . 1 1 39 39 VAL C C 39 173.731 173.731 174.119 -0.388 19178 6335 1 16 . 1 1 39 39 VAL CA C 39 63.514 63.514 61.443 2.071 19178 6336 1 16 . 1 1 39 39 VAL CB C 39 32.408 32.408 34.432 -2.024 19178 6337 1 16 . 1 1 39 39 VAL H H 39 8.253 8.253 7.265 0.988 19178 6338 1 16 . 1 1 40 40 ILE N N 40 128.130 128.130 126.859 1.271 19178 6339 1 16 . 1 1 40 40 ILE HA H 40 4.222 4.222 4.591 -0.369 19178 6340 1 16 . 1 1 40 40 ILE C C 40 174.090 174.090 175.030 -0.940 19178 6341 1 16 . 1 1 40 40 ILE CA C 40 60.635 60.635 59.347 1.288 19178 6342 1 16 . 1 1 40 40 ILE CB C 40 38.281 38.281 40.263 -1.982 19178 6343 1 16 . 1 1 40 40 ILE H H 40 7.836 7.836 7.403 0.433 19178 6344 1 16 . 1 1 41 41 LEU N N 41 124.924 124.924 124.969 -0.045 19178 6345 1 16 . 1 1 41 41 LEU HA H 41 4.884 4.884 4.553 0.331 19178 6346 1 16 . 1 1 41 41 LEU C C 41 175.989 175.989 175.396 0.593 19178 6347 1 16 . 1 1 41 41 LEU CA C 41 52.654 52.654 53.106 -0.452 19178 6348 1 16 . 1 1 41 41 LEU CB C 41 45.122 45.122 44.396 0.726 19178 6349 1 16 . 1 1 41 41 LEU H H 41 8.836 8.836 8.330 0.506 19178 6350 1 16 . 1 1 42 42 ASP N N 42 119.247 119.247 120.783 -1.536 19178 6351 1 16 . 1 1 42 42 ASP HA H 42 4.858 4.858 4.686 0.172 19178 6352 1 16 . 1 1 42 42 ASP C C 42 176.128 176.128 176.710 -0.582 19178 6353 1 16 . 1 1 42 42 ASP CA C 42 53.328 53.328 53.648 -0.320 19178 6354 1 16 . 1 1 42 42 ASP CB C 42 41.408 41.408 41.709 -0.301 19178 6355 1 16 . 1 1 42 42 ASP H H 42 8.725 8.725 8.510 0.215 19178 6356 1 16 . 1 1 43 43 SER N N 43 123.344 123.344 123.114 0.230 19178 6357 1 16 . 1 1 43 43 SER HA H 43 4.178 4.178 4.213 -0.035 19178 6358 1 16 . 1 1 43 43 SER C C 43 176.291 176.291 175.544 0.747 19178 6359 1 16 . 1 1 43 43 SER CA C 43 60.431 60.431 60.501 -0.070 19178 6360 1 16 . 1 1 43 43 SER CB C 43 64.943 64.943 63.785 1.159 19178 6361 1 16 . 1 1 43 43 SER H H 43 8.462 8.462 8.284 0.178 19178 6362 1 16 . 1 1 44 44 GLY N N 44 112.184 112.184 107.481 4.703 19178 6363 1 16 . 1 1 44 44 GLY C C 44 174.525 174.525 173.906 0.619 19178 6364 1 16 . 1 1 44 44 GLY CA C 44 45.368 45.368 44.836 0.532 19178 6365 1 16 . 1 1 44 44 GLY H H 44 9.230 9.230 8.310 0.920 19178 6366 1 16 . 1 1 45 45 ASN N N 45 119.774 119.774 118.319 1.455 19178 6367 1 16 . 1 1 45 45 ASN HA H 45 4.681 4.681 4.979 -0.298 19178 6368 1 16 . 1 1 45 45 ASN C C 45 174.866 174.866 173.600 1.266 19178 6369 1 16 . 1 1 45 45 ASN CA C 45 52.807 52.807 52.187 0.620 19178 6370 1 16 . 1 1 45 45 ASN CB C 45 39.241 39.241 40.668 -1.427 19178 6371 1 16 . 1 1 45 45 ASN H H 45 8.486 8.486 8.233 0.253 19178 6372 1 16 . 1 1 46 46 ASP N N 46 120.223 120.223 121.041 -0.818 19178 6373 1 16 . 1 1 46 46 ASP HA H 46 4.367 4.367 4.605 -0.238 19178 6374 1 16 . 1 1 46 46 ASP C C 46 177.272 177.272 176.833 0.439 19178 6375 1 16 . 1 1 46 46 ASP CA C 46 54.869 54.869 55.009 -0.140 19178 6376 1 16 . 1 1 46 46 ASP CB C 46 42.461 42.461 40.963 1.498 19178 6377 1 16 . 1 1 46 46 ASP H H 46 8.387 8.387 8.525 -0.138 19178 6378 1 16 . 1 1 47 47 ALA N N 47 126.587 126.587 129.807 -3.220 19178 6379 1 16 . 1 1 47 47 ALA HA H 47 3.741 3.741 4.278 -0.537 19178 6380 1 16 . 1 1 47 47 ALA C C 47 177.980 177.980 179.305 -1.325 19178 6381 1 16 . 1 1 47 47 ALA CA C 47 53.866 53.866 54.314 -0.448 19178 6382 1 16 . 1 1 47 47 ALA CB C 47 16.554 16.554 19.246 -2.692 19178 6383 1 16 . 1 1 47 47 ALA H H 47 8.747 8.747 8.634 0.113 19178 6384 1 16 . 1 1 48 48 SER N N 48 115.463 115.463 114.468 0.995 19178 6385 1 16 . 1 1 48 48 SER HA H 48 4.203 4.203 4.403 -0.200 19178 6386 1 16 . 1 1 48 48 SER CA C 48 61.994 61.994 61.537 0.457 19178 6387 1 16 . 1 1 48 48 SER H H 48 8.973 8.973 8.603 0.370 19178 6388 1 16 . 1 1 49 49 SER C C 49 176.587 176.587 176.270 0.317 19178 6389 1 16 . 1 1 49 49 SER CA C 49 62.279 62.279 61.520 0.759 19178 6390 1 16 . 1 1 50 50 ALA N N 50 125.775 125.775 124.868 0.907 19178 6391 1 16 . 1 1 50 50 ALA HA H 50 4.076 4.076 4.250 -0.174 19178 6392 1 16 . 1 1 50 50 ALA C C 50 179.125 179.125 180.277 -1.152 19178 6393 1 16 . 1 1 50 50 ALA CA C 50 54.822 54.822 54.741 0.081 19178 6394 1 16 . 1 1 50 50 ALA CB C 50 18.834 18.834 18.136 0.698 19178 6395 1 16 . 1 1 50 50 ALA H H 50 7.620 7.620 7.667 -0.047 19178 6396 1 16 . 1 1 51 51 TYR N N 51 117.562 117.562 119.125 -1.563 19178 6397 1 16 . 1 1 51 51 TYR HA H 51 4.275 4.275 4.083 0.192 19178 6398 1 16 . 1 1 51 51 TYR C C 51 179.622 179.622 177.825 1.797 19178 6399 1 16 . 1 1 51 51 TYR CA C 51 60.966 60.966 62.333 -1.367 19178 6400 1 16 . 1 1 51 51 TYR CB C 51 36.803 36.803 38.104 -1.301 19178 6401 1 16 . 1 1 51 51 TYR H H 51 7.397 7.397 8.273 -0.876 19178 6402 1 16 . 1 1 52 52 LYS N N 52 121.441 121.441 121.243 0.198 19178 6403 1 16 . 1 1 52 52 LYS HA H 52 4.103 4.103 4.066 0.037 19178 6404 1 16 . 1 1 52 52 LYS C C 52 179.041 179.041 179.017 0.024 19178 6405 1 16 . 1 1 52 52 LYS CA C 52 59.827 59.827 59.780 0.047 19178 6406 1 16 . 1 1 52 52 LYS H H 52 8.332 8.332 8.550 -0.218 19178 6407 1 16 . 1 1 53 53 LEU N N 53 122.286 122.286 119.556 2.730 19178 6408 1 16 . 1 1 53 53 LEU HA H 53 4.376 4.376 4.221 0.155 19178 6409 1 16 . 1 1 53 53 LEU C C 53 178.373 178.373 178.895 -0.522 19178 6410 1 16 . 1 1 53 53 LEU CA C 53 57.863 57.863 57.672 0.191 19178 6411 1 16 . 1 1 53 53 LEU CB C 53 41.288 41.288 41.197 0.091 19178 6412 1 16 . 1 1 53 53 LEU H H 53 7.671 7.671 8.262 -0.591 19178 6413 1 16 . 1 1 54 54 GLY N N 54 127.824 127.824 107.282 20.542 19178 6414 1 16 . 1 1 54 54 GLY C C 54 174.865 174.865 175.811 -0.946 19178 6415 1 16 . 1 1 54 54 GLY CA C 54 47.971 47.971 47.594 0.377 19178 6416 1 16 . 1 1 54 54 GLY H H 54 9.020 9.020 8.700 0.320 19178 6417 1 16 . 1 1 55 55 THR N N 55 117.961 117.961 116.982 0.979 19178 6418 1 16 . 1 1 55 55 THR HA H 55 4.445 4.445 4.116 0.329 19178 6419 1 16 . 1 1 55 55 THR C C 55 175.188 175.188 176.467 -1.279 19178 6420 1 16 . 1 1 55 55 THR CA C 55 67.593 67.593 66.507 1.086 19178 6421 1 16 . 1 1 55 55 THR H H 55 8.123 8.123 8.536 -0.413 19178 6422 1 16 . 1 1 56 56 TYR N N 56 122.294 122.294 124.113 -1.819 19178 6423 1 16 . 1 1 56 56 TYR HA H 56 4.346 4.346 4.407 -0.061 19178 6424 1 16 . 1 1 56 56 TYR C C 56 177.909 177.909 177.280 0.629 19178 6425 1 16 . 1 1 56 56 TYR CA C 56 61.147 61.147 61.538 -0.391 19178 6426 1 16 . 1 1 56 56 TYR CB C 56 37.981 37.981 38.462 -0.482 19178 6427 1 16 . 1 1 56 56 TYR H H 56 7.697 7.697 8.089 -0.392 19178 6428 1 16 . 1 1 57 57 LEU N N 57 118.703 118.703 119.358 -0.655 19178 6429 1 16 . 1 1 57 57 LEU HA H 57 3.914 3.914 3.728 0.186 19178 6430 1 16 . 1 1 57 57 LEU C C 57 180.087 180.087 179.140 0.947 19178 6431 1 16 . 1 1 57 57 LEU CA C 57 57.780 57.780 57.869 -0.089 19178 6432 1 16 . 1 1 57 57 LEU CB C 57 42.026 42.026 42.004 0.022 19178 6433 1 16 . 1 1 57 57 LEU H H 57 8.909 8.909 7.900 1.009 19178 6434 1 16 . 1 1 58 58 TYR N N 58 120.667 120.667 116.086 4.581 19178 6435 1 16 . 1 1 58 58 TYR HA H 58 4.209 4.209 4.356 -0.147 19178 6436 1 16 . 1 1 58 58 TYR C C 58 177.511 177.511 176.552 0.959 19178 6437 1 16 . 1 1 58 58 TYR CA C 58 61.641 61.641 60.094 1.547 19178 6438 1 16 . 1 1 58 58 TYR H H 58 8.971 8.971 8.227 0.744 19178 6439 1 16 . 1 1 59 59 GLN N N 59 119.344 119.344 115.514 3.830 19178 6440 1 16 . 1 1 59 59 GLN HA H 59 4.668 4.668 4.536 0.132 19178 6441 1 16 . 1 1 59 59 GLN C C 59 179.270 179.270 174.939 4.331 19178 6442 1 16 . 1 1 59 59 GLN H H 59 8.378 8.378 7.789 0.589 19178 6443 1 16 . 1 1 67 67 PHE HA H 67 4.852 4.852 4.146 0.706 19178 6444 1 16 . 1 1 67 67 PHE C C 67 175.889 175.889 176.231 -0.342 19178 6445 1 16 . 1 1 67 67 PHE CA C 67 55.576 55.576 60.304 -4.729 19178 6446 1 16 . 1 1 67 67 PHE CB C 67 42.444 42.444 38.917 3.527 19178 6447 1 16 . 1 1 68 68 ASN N N 68 120.775 120.775 118.314 2.461 19178 6448 1 16 . 1 1 68 68 ASN C C 68 175.338 175.338 174.858 0.480 19178 6449 1 16 . 1 1 68 68 ASN CA C 68 55.092 55.092 53.711 1.381 19178 6450 1 16 . 1 1 68 68 ASN CB C 68 40.006 40.006 38.581 1.425 19178 6451 1 16 . 1 1 68 68 ASN H H 68 9.560 9.560 8.039 1.521 19178 6452 1 16 . 1 1 69 69 THR N N 69 127.914 127.914 117.271 10.643 19178 6453 1 16 . 1 1 69 69 THR HA H 69 4.732 4.732 4.500 0.232 19178 6454 1 16 . 1 1 69 69 THR C C 69 173.530 173.530 175.333 -1.803 19178 6455 1 16 . 1 1 69 69 THR CA C 69 58.877 58.877 60.389 -1.512 19178 6456 1 16 . 1 1 69 69 THR CB C 69 73.620 73.620 70.904 2.716 19178 6457 1 16 . 1 1 69 69 THR H H 69 7.237 7.237 8.473 -1.236 19178 6458 1 16 . 1 1 70 70 LEU N N 70 122.013 122.013 127.426 -5.413 19178 6459 1 16 . 1 1 70 70 LEU HA H 70 3.005 3.005 4.286 -1.281 19178 6460 1 16 . 1 1 70 70 LEU C C 70 178.252 178.252 178.231 0.021 19178 6461 1 16 . 1 1 70 70 LEU CA C 70 56.721 56.721 56.997 -0.276 19178 6462 1 16 . 1 1 70 70 LEU CB C 70 41.199 41.199 41.296 -0.097 19178 6463 1 16 . 1 1 70 70 LEU H H 70 8.614 8.614 8.842 -0.228 19178 6464 1 16 . 1 1 71 71 THR N N 71 114.041 114.041 115.254 -1.213 19178 6465 1 16 . 1 1 71 71 THR HA H 71 3.620 3.620 3.944 -0.324 19178 6466 1 16 . 1 1 71 71 THR C C 71 175.400 175.400 176.559 -1.159 19178 6467 1 16 . 1 1 71 71 THR CA C 71 66.405 66.405 66.621 -0.216 19178 6468 1 16 . 1 1 71 71 THR CB C 71 68.517 68.517 68.285 0.232 19178 6469 1 16 . 1 1 71 71 THR H H 71 7.694 7.694 7.942 -0.248 19178 6470 1 16 . 1 1 72 72 GLU N N 72 120.141 120.141 120.646 -0.505 19178 6471 1 16 . 1 1 72 72 GLU HA H 72 3.997 3.997 4.054 -0.057 19178 6472 1 16 . 1 1 72 72 GLU C C 72 178.982 178.982 178.133 0.849 19178 6473 1 16 . 1 1 72 72 GLU CA C 72 59.250 59.250 59.379 -0.129 19178 6474 1 16 . 1 1 72 72 GLU CB C 72 30.907 30.907 29.374 1.533 19178 6475 1 16 . 1 1 72 72 GLU H H 72 7.514 7.514 7.642 -0.128 19178 6476 1 16 . 1 1 73 73 ALA N N 73 123.400 123.400 122.915 0.485 19178 6477 1 16 . 1 1 73 73 ALA HA H 73 2.167 2.167 3.598 -1.431 19178 6478 1 16 . 1 1 73 73 ALA C C 73 178.959 178.959 179.118 -0.159 19178 6479 1 16 . 1 1 73 73 ALA CA C 73 54.323 54.323 54.370 -0.047 19178 6480 1 16 . 1 1 73 73 ALA CB C 73 17.561 17.561 18.080 -0.519 19178 6481 1 16 . 1 1 73 73 ALA H H 73 6.788 6.788 7.681 -0.893 19178 6482 1 16 . 1 1 74 74 ARG N N 74 116.272 116.272 118.173 -1.901 19178 6483 1 16 . 1 1 74 74 ARG HA H 74 3.887 3.887 4.102 -0.215 19178 6484 1 16 . 1 1 74 74 ARG C C 74 179.230 179.230 178.396 0.834 19178 6485 1 16 . 1 1 74 74 ARG CA C 74 60.442 60.442 59.534 0.908 19178 6486 1 16 . 1 1 74 74 ARG CB C 74 29.878 29.878 29.971 -0.093 19178 6487 1 16 . 1 1 74 74 ARG H H 74 8.145 8.145 8.634 -0.489 19178 6488 1 16 . 1 1 75 75 ASP N N 75 120.487 120.487 119.935 0.552 19178 6489 1 16 . 1 1 75 75 ASP HA H 75 4.446 4.446 4.521 -0.075 19178 6490 1 16 . 1 1 75 75 ASP C C 75 178.040 178.040 178.016 0.024 19178 6491 1 16 . 1 1 75 75 ASP CA C 75 57.166 57.166 56.812 0.354 19178 6492 1 16 . 1 1 75 75 ASP CB C 75 39.687 39.687 40.355 -0.668 19178 6493 1 16 . 1 1 75 75 ASP H H 75 8.594 8.594 8.417 0.177 19178 6494 1 16 . 1 1 76 76 ALA N N 76 122.773 122.773 123.255 -0.482 19178 6495 1 16 . 1 1 76 76 ALA HA H 76 4.345 4.345 4.099 0.246 19178 6496 1 16 . 1 1 76 76 ALA C C 76 181.221 181.221 179.616 1.605 19178 6497 1 16 . 1 1 76 76 ALA CA C 76 55.245 55.245 55.267 -0.022 19178 6498 1 16 . 1 1 76 76 ALA CB C 76 18.316 18.316 18.192 0.124 19178 6499 1 16 . 1 1 76 76 ALA H H 76 7.668 7.668 7.789 -0.121 19178 6500 1 16 . 1 1 77 77 ILE N N 77 120.254 120.254 114.409 5.845 19178 6501 1 16 . 1 1 77 77 ILE HA H 77 3.632 3.632 3.922 -0.290 19178 6502 1 16 . 1 1 77 77 ILE C C 77 176.567 176.567 177.409 -0.842 19178 6503 1 16 . 1 1 77 77 ILE CA C 77 66.365 66.365 63.780 2.585 19178 6504 1 16 . 1 1 77 77 ILE CB C 77 37.947 37.947 36.984 0.963 19178 6505 1 16 . 1 1 77 77 ILE H H 77 7.724 7.724 8.209 -0.485 19178 6506 1 16 . 1 1 78 78 LYS N N 78 122.773 122.773 121.678 1.095 19178 6507 1 16 . 1 1 78 78 LYS HA H 78 4.265 4.265 4.056 0.209 19178 6508 1 16 . 1 1 78 78 LYS C C 78 178.382 178.382 178.914 -0.532 19178 6509 1 16 . 1 1 78 78 LYS CA C 78 60.442 60.442 58.763 1.679 19178 6510 1 16 . 1 1 78 78 LYS CB C 78 33.021 33.021 31.662 1.359 19178 6511 1 16 . 1 1 78 78 LYS H H 78 8.465 8.465 7.980 0.485 19178 6512 1 16 . 1 1 79 79 ASP N N 79 118.165 118.165 120.483 -2.318 19178 6513 1 16 . 1 1 79 79 ASP HA H 79 4.353 4.353 4.457 -0.104 19178 6514 1 16 . 1 1 79 79 ASP C C 79 179.289 179.289 177.979 1.310 19178 6515 1 16 . 1 1 79 79 ASP CA C 79 57.245 57.245 57.150 0.095 19178 6516 1 16 . 1 1 79 79 ASP H H 79 8.541 8.541 8.325 0.216 19178 6517 1 16 . 1 1 80 80 ALA N N 80 122.362 122.362 122.562 -0.200 19178 6518 1 16 . 1 1 80 80 ALA HA H 80 4.340 4.340 3.912 0.428 19178 6519 1 16 . 1 1 80 80 ALA C C 80 179.265 179.265 179.985 -0.720 19178 6520 1 16 . 1 1 80 80 ALA CA C 80 54.979 54.979 55.104 -0.125 19178 6521 1 16 . 1 1 80 80 ALA CB C 80 18.254 18.254 18.529 -0.275 19178 6522 1 16 . 1 1 80 80 ALA H H 80 7.727 7.727 8.103 -0.376 19178 6523 1 16 . 1 1 81 81 TYR N N 81 118.882 118.882 117.912 0.970 19178 6524 1 16 . 1 1 81 81 TYR HA H 81 4.115 4.115 4.229 -0.114 19178 6525 1 16 . 1 1 81 81 TYR C C 81 178.146 178.146 178.366 -0.220 19178 6526 1 16 . 1 1 81 81 TYR CA C 81 61.635 61.635 61.012 0.623 19178 6527 1 16 . 1 1 81 81 TYR CB C 81 38.115 38.115 38.151 -0.036 19178 6528 1 16 . 1 1 81 81 TYR H H 81 9.037 9.037 9.077 -0.040 19178 6529 1 16 . 1 1 82 82 GLU N N 82 116.630 116.630 118.643 -2.013 19178 6530 1 16 . 1 1 82 82 GLU HA H 82 3.816 3.816 4.128 -0.312 19178 6531 1 16 . 1 1 82 82 GLU C C 82 178.664 178.664 178.287 0.377 19178 6532 1 16 . 1 1 82 82 GLU CA C 82 59.304 59.304 58.536 0.768 19178 6533 1 16 . 1 1 82 82 GLU CB C 82 28.848 28.848 29.403 -0.555 19178 6534 1 16 . 1 1 82 82 GLU H H 82 8.854 8.854 7.904 0.950 19178 6535 1 16 . 1 1 83 83 SER N N 83 114.004 114.004 114.261 -0.257 19178 6536 1 16 . 1 1 83 83 SER HA H 83 4.164 4.164 4.165 -0.001 19178 6537 1 16 . 1 1 83 83 SER C C 83 174.387 174.387 176.172 -1.785 19178 6538 1 16 . 1 1 83 83 SER CA C 83 61.038 61.038 60.557 0.481 19178 6539 1 16 . 1 1 83 83 SER CB C 83 63.152 63.152 63.353 -0.201 19178 6540 1 16 . 1 1 83 83 SER H H 83 7.573 7.573 7.752 -0.179 19178 6541 1 16 . 1 1 84 84 TYR N N 84 117.323 117.323 117.991 -0.668 19178 6542 1 16 . 1 1 84 84 TYR HA H 84 4.595 4.595 4.733 -0.138 19178 6543 1 16 . 1 1 84 84 TYR C C 84 174.434 174.434 175.330 -0.896 19178 6544 1 16 . 1 1 84 84 TYR CA C 84 58.871 58.871 55.991 2.880 19178 6545 1 16 . 1 1 84 84 TYR CB C 84 41.746 41.746 37.867 3.879 19178 6546 1 16 . 1 1 84 84 TYR H H 84 7.319 7.319 8.092 -0.773 19178 6547 1 16 . 1 1 85 85 CYS N N 85 118.762 118.762 119.687 -0.925 19178 6548 1 16 . 1 1 85 85 CYS HA H 85 3.940 3.940 4.088 -0.148 19178 6549 1 16 . 1 1 85 85 CYS C C 85 176.178 176.178 176.252 -0.074 19178 6550 1 16 . 1 1 85 85 CYS CA C 85 58.817 58.817 61.812 -2.995 19178 6551 1 16 . 1 1 85 85 CYS CB C 85 26.042 26.042 28.314 -2.272 19178 6552 1 16 . 1 1 85 85 CYS H H 85 7.670 7.670 7.963 -0.293 19178 6553 1 16 . 1 1 86 86 GLY N N 86 113.730 113.730 115.419 -1.689 19178 6554 1 16 . 1 1 86 86 GLY C C 86 174.587 174.587 174.128 0.459 19178 6555 1 16 . 1 1 86 86 GLY CA C 86 45.214 45.214 45.186 0.028 19178 6556 1 16 . 1 1 86 86 GLY H H 86 10.799 10.799 8.872 1.927 19178 6557 1 16 . 1 1 87 87 ILE N N 87 122.743 122.743 122.731 0.012 19178 6558 1 16 . 1 1 87 87 ILE HA H 87 4.291 4.291 4.270 0.021 19178 6559 1 16 . 1 1 87 87 ILE C C 87 174.340 174.340 174.287 0.053 19178 6560 1 16 . 1 1 87 87 ILE CA C 87 60.968 60.968 60.631 0.337 19178 6561 1 16 . 1 1 87 87 ILE CB C 87 35.512 35.512 38.046 -2.534 19178 6562 1 16 . 1 1 87 87 ILE H H 87 8.023 8.023 7.943 0.080 19178 6563 1 16 . 1 1 88 88 ASP N N 88 125.059 125.059 125.205 -0.146 19178 6564 1 16 . 1 1 88 88 ASP HA H 88 4.750 4.750 4.951 -0.201 19178 6565 1 16 . 1 1 88 88 ASP C C 88 175.895 175.895 174.690 1.205 19178 6566 1 16 . 1 1 88 88 ASP CA C 88 54.319 54.319 53.992 0.327 19178 6567 1 16 . 1 1 88 88 ASP CB C 88 41.692 41.692 42.820 -1.128 19178 6568 1 16 . 1 1 88 88 ASP H H 88 8.127 8.127 8.765 -0.638 19178 6569 1 16 . 1 1 89 89 ASP N N 89 117.971 117.971 118.411 -0.440 19178 6570 1 16 . 1 1 89 89 ASP HA H 89 4.822 4.822 4.677 0.145 19178 6571 1 16 . 1 1 89 89 ASP C C 89 174.069 174.069 174.121 -0.052 19178 6572 1 16 . 1 1 89 89 ASP CA C 89 52.369 52.369 53.312 -0.943 19178 6573 1 16 . 1 1 89 89 ASP CB C 89 43.625 43.625 44.207 -0.582 19178 6574 1 16 . 1 1 89 89 ASP H H 89 7.617 7.617 7.793 -0.176 19178 6575 1 16 . 1 1 90 90 CYS N N 90 126.238 126.238 121.731 4.507 19178 6576 1 16 . 1 1 90 90 CYS C C 90 175.636 175.636 174.307 1.329 19178 6577 1 16 . 1 1 90 90 CYS CA C 90 56.215 56.215 55.233 0.982 19178 6578 1 16 . 1 1 90 90 CYS H H 90 8.936 8.936 8.494 0.442 19178 6579 1 16 . 1 1 91 91 PRO HA H 91 4.460 4.460 4.315 0.145 19178 6580 1 16 . 1 1 91 91 PRO C C 91 178.629 178.629 178.040 0.589 19178 6581 1 16 . 1 1 91 91 PRO CA C 91 64.614 64.614 64.831 -0.217 19178 6582 1 16 . 1 1 91 91 PRO CB C 91 32.208 32.208 32.088 0.120 19178 6583 1 16 . 1 1 92 92 GLN N N 92 119.363 119.363 118.195 1.168 19178 6584 1 16 . 1 1 92 92 GLN HA H 92 4.060 4.060 4.022 0.038 19178 6585 1 16 . 1 1 92 92 GLN C C 92 178.181 178.181 177.629 0.552 19178 6586 1 16 . 1 1 92 92 GLN CA C 92 57.837 57.837 58.772 -0.935 19178 6587 1 16 . 1 1 92 92 GLN CB C 92 28.252 28.252 28.476 -0.224 19178 6588 1 16 . 1 1 92 92 GLN H H 92 8.253 8.253 8.373 -0.120 19178 6589 1 16 . 1 1 93 93 CYS N N 93 124.725 124.725 115.839 8.886 19178 6590 1 16 . 1 1 93 93 CYS HA H 93 4.269 4.269 4.145 0.124 19178 6591 1 16 . 1 1 93 93 CYS C C 93 177.180 177.180 176.175 1.005 19178 6592 1 16 . 1 1 93 93 CYS CA C 93 64.366 64.366 61.423 2.943 19178 6593 1 16 . 1 1 93 93 CYS CB C 93 30.379 30.379 26.167 4.212 19178 6594 1 16 . 1 1 93 93 CYS H H 93 8.581 8.581 7.720 0.861 19178 6595 1 16 . 1 1 94 94 SER N N 94 113.467 113.467 112.622 0.845 19178 6596 1 16 . 1 1 94 94 SER HA H 94 4.277 4.277 4.328 -0.051 19178 6597 1 16 . 1 1 94 94 SER C C 94 174.481 174.481 175.733 -1.252 19178 6598 1 16 . 1 1 94 94 SER CA C 94 59.432 59.432 60.563 -1.131 19178 6599 1 16 . 1 1 94 94 SER CB C 94 63.217 63.217 63.537 -0.320 19178 6600 1 16 . 1 1 94 94 SER H H 94 7.753 7.753 7.619 0.134 19178 6601 1 16 . 1 1 95 95 LYS N N 95 121.369 121.369 120.624 0.745 19178 6602 1 16 . 1 1 95 95 LYS HA H 95 4.211 4.211 4.220 -0.009 19178 6603 1 16 . 1 1 95 95 LYS C C 95 176.237 176.237 177.807 -1.570 19178 6604 1 16 . 1 1 95 95 LYS CA C 95 56.622 56.622 57.307 -0.685 19178 6605 1 16 . 1 1 95 95 LYS CB C 95 32.756 32.756 32.828 -0.072 19178 6606 1 16 . 1 1 95 95 LYS H H 95 7.520 7.520 7.643 -0.123 19178 6607 1 16 . 1 1 96 96 TYR N N 96 121.000 121.000 119.397 1.603 19178 6608 1 16 . 1 1 96 96 TYR HA H 96 4.559 4.559 4.473 0.086 19178 6609 1 16 . 1 1 96 96 TYR C C 96 175.577 175.577 176.183 -0.606 19178 6610 1 16 . 1 1 96 96 TYR CA C 96 58.039 58.039 57.568 0.471 19178 6611 1 16 . 1 1 96 96 TYR CB C 96 38.694 38.694 37.374 1.320 19178 6612 1 16 . 1 1 96 96 TYR H H 96 8.005 8.005 8.093 -0.088 19178 6613 1 16 . 1 1 97 97 ILE N N 97 123.003 123.003 125.174 -2.171 19178 6614 1 16 . 1 1 97 97 ILE HA H 97 4.120 4.120 4.167 -0.047 19178 6615 1 16 . 1 1 97 97 ILE C C 97 175.194 175.194 175.925 -0.731 19178 6616 1 16 . 1 1 97 97 ILE CA C 97 60.929 60.929 60.870 0.059 19178 6617 1 16 . 1 1 97 97 ILE CB C 97 39.044 39.044 39.196 -0.152 19178 6618 1 16 . 1 1 97 97 ILE H H 97 7.832 7.832 8.194 -0.362 19178 6619 1 16 . 1 1 98 98 ASP N N 98 125.070 125.070 125.189 -0.119 19178 6620 1 16 . 1 1 98 98 ASP HA H 98 4.627 4.627 4.696 -0.069 19178 6621 1 16 . 1 1 98 98 ASP C C 98 174.976 174.976 175.613 -0.637 19178 6622 1 16 . 1 1 98 98 ASP CA C 98 54.184 54.184 53.520 0.664 19178 6623 1 16 . 1 1 98 98 ASP CB C 98 41.502 41.502 41.179 0.323 19178 6624 1 16 . 1 1 98 98 ASP H H 98 8.245 8.245 8.398 -0.153 19178 6625 1 17 . 1 1 16 16 GLN HA H 16 4.330 4.330 4.040 0.290 19178 6626 1 17 . 1 1 17 17 GLU N N 17 119.126 119.126 119.369 -0.243 19178 6627 1 17 . 1 1 17 17 GLU HA H 17 4.329 4.329 4.195 0.134 19178 6628 1 17 . 1 1 17 17 GLU H H 17 8.422 8.422 8.600 -0.178 19178 6629 1 17 . 1 1 18 18 GLN N N 18 120.450 120.450 118.403 2.047 19178 6630 1 17 . 1 1 18 18 GLN HA H 18 4.081 4.081 4.132 -0.051 19178 6631 1 17 . 1 1 18 18 GLN H H 18 8.729 8.729 7.693 1.036 19178 6632 1 17 . 1 1 19 19 TRP N N 19 121.902 121.902 121.164 0.738 19178 6633 1 17 . 1 1 19 19 TRP HA H 19 4.125 4.125 4.313 -0.188 19178 6634 1 17 . 1 1 19 19 TRP C C 19 179.400 179.400 178.524 0.876 19178 6635 1 17 . 1 1 19 19 TRP CA C 19 62.361 62.361 60.837 1.524 19178 6636 1 17 . 1 1 19 19 TRP CB C 19 29.938 29.938 29.207 0.731 19178 6637 1 17 . 1 1 19 19 TRP H H 19 8.561 8.561 7.738 0.823 19178 6638 1 17 . 1 1 20 20 ALA N N 20 122.759 122.759 122.873 -0.114 19178 6639 1 17 . 1 1 20 20 ALA HA H 20 3.815 3.815 3.696 0.119 19178 6640 1 17 . 1 1 20 20 ALA C C 20 180.433 180.433 178.993 1.440 19178 6641 1 17 . 1 1 20 20 ALA CA C 20 55.619 55.619 54.803 0.816 19178 6642 1 17 . 1 1 20 20 ALA CB C 20 18.474 18.474 18.241 0.233 19178 6643 1 17 . 1 1 20 20 ALA H H 20 8.828 8.828 7.787 1.041 19178 6644 1 17 . 1 1 21 21 MET N N 21 117.474 117.474 116.464 1.010 19178 6645 1 17 . 1 1 21 21 MET HA H 21 4.479 4.479 4.115 0.364 19178 6646 1 17 . 1 1 21 21 MET C C 21 178.744 178.744 177.844 0.900 19178 6647 1 17 . 1 1 21 21 MET CA C 21 56.778 56.778 58.112 -1.334 19178 6648 1 17 . 1 1 21 21 MET CB C 21 29.956 29.956 32.161 -2.205 19178 6649 1 17 . 1 1 21 21 MET H H 21 8.702 8.702 8.403 0.299 19178 6650 1 17 . 1 1 22 22 GLN N N 22 119.738 119.738 120.654 -0.916 19178 6651 1 17 . 1 1 22 22 GLN HA H 22 4.025 4.025 3.910 0.115 19178 6652 1 17 . 1 1 22 22 GLN C C 22 180.104 180.104 177.933 2.171 19178 6653 1 17 . 1 1 22 22 GLN CA C 22 58.872 58.872 59.906 -1.034 19178 6654 1 17 . 1 1 22 22 GLN CB C 22 27.880 27.880 27.845 0.035 19178 6655 1 17 . 1 1 22 22 GLN H H 22 8.531 8.531 7.984 0.547 19178 6656 1 17 . 1 1 23 23 THR N N 23 117.049 117.049 115.199 1.850 19178 6657 1 17 . 1 1 23 23 THR HA H 23 3.715 3.715 3.961 -0.246 19178 6658 1 17 . 1 1 23 23 THR C C 23 177.477 177.477 176.657 0.820 19178 6659 1 17 . 1 1 23 23 THR CA C 23 66.380 66.380 64.893 1.487 19178 6660 1 17 . 1 1 23 23 THR CB C 23 67.579 67.579 68.185 -0.606 19178 6661 1 17 . 1 1 23 23 THR H H 23 7.752 7.752 7.758 -0.006 19178 6662 1 17 . 1 1 24 24 LEU N N 24 125.735 125.735 121.312 4.423 19178 6663 1 17 . 1 1 24 24 LEU HA H 24 3.731 3.731 3.874 -0.143 19178 6664 1 17 . 1 1 24 24 LEU C C 24 178.544 178.544 179.572 -1.028 19178 6665 1 17 . 1 1 24 24 LEU CA C 24 58.882 58.882 58.262 0.620 19178 6666 1 17 . 1 1 24 24 LEU CB C 24 41.550 41.550 41.802 -0.252 19178 6667 1 17 . 1 1 24 24 LEU H H 24 7.886 7.886 7.314 0.572 19178 6668 1 17 . 1 1 25 25 MET N N 25 118.622 118.622 116.767 1.855 19178 6669 1 17 . 1 1 25 25 MET HA H 25 4.717 4.717 4.555 0.162 19178 6670 1 17 . 1 1 25 25 MET C C 25 181.465 181.465 178.290 3.175 19178 6671 1 17 . 1 1 25 25 MET CA C 25 55.604 55.604 58.120 -2.516 19178 6672 1 17 . 1 1 25 25 MET CB C 25 32.071 32.071 32.890 -0.819 19178 6673 1 17 . 1 1 25 25 MET H H 25 8.619 8.619 8.554 0.065 19178 6674 1 17 . 1 1 26 26 GLY N N 26 110.755 110.755 107.818 2.937 19178 6675 1 17 . 1 1 26 26 GLY C C 26 174.662 174.662 175.772 -1.110 19178 6676 1 17 . 1 1 26 26 GLY CA C 26 46.788 46.788 46.019 0.769 19178 6677 1 17 . 1 1 26 26 GLY H H 26 8.953 8.953 8.413 0.540 19178 6678 1 17 . 1 1 27 27 SER N N 27 109.977 109.977 116.434 -6.457 19178 6679 1 17 . 1 1 27 27 SER HA H 27 4.422 4.422 4.240 0.182 19178 6680 1 17 . 1 1 27 27 SER C C 27 175.612 175.612 175.559 0.053 19178 6681 1 17 . 1 1 27 27 SER CA C 27 58.309 58.309 59.284 -0.975 19178 6682 1 17 . 1 1 27 27 SER CB C 27 64.423 64.423 63.065 1.358 19178 6683 1 17 . 1 1 27 27 SER H H 27 7.335 7.335 7.689 -0.354 19178 6684 1 17 . 1 1 28 28 GLY N N 28 110.105 110.105 108.151 1.954 19178 6685 1 17 . 1 1 28 28 GLY C C 28 174.029 174.029 175.256 -1.227 19178 6686 1 17 . 1 1 28 28 GLY CA C 28 45.371 45.371 45.596 -0.225 19178 6687 1 17 . 1 1 28 28 GLY H H 28 7.536 7.536 7.714 -0.178 19178 6688 1 17 . 1 1 29 29 VAL N N 29 121.444 121.444 119.061 2.383 19178 6689 1 17 . 1 1 29 29 VAL HA H 29 4.720 4.720 3.857 0.863 19178 6690 1 17 . 1 1 29 29 VAL C C 29 177.149 177.149 175.912 1.237 19178 6691 1 17 . 1 1 29 29 VAL CA C 29 66.474 66.474 64.212 2.262 19178 6692 1 17 . 1 1 29 29 VAL CB C 29 32.694 32.694 32.017 0.676 19178 6693 1 17 . 1 1 29 29 VAL H H 29 7.738 7.738 7.778 -0.040 19178 6694 1 17 . 1 1 30 30 LEU N N 30 115.594 115.594 116.614 -1.020 19178 6695 1 17 . 1 1 30 30 LEU HA H 30 5.349 5.349 4.269 1.080 19178 6696 1 17 . 1 1 30 30 LEU C C 30 174.427 174.427 174.861 -0.434 19178 6697 1 17 . 1 1 30 30 LEU CA C 30 52.231 52.231 53.598 -1.367 19178 6698 1 17 . 1 1 30 30 LEU CB C 30 43.525 43.525 43.697 -0.172 19178 6699 1 17 . 1 1 30 30 LEU H H 30 7.090 7.090 7.150 -0.060 19178 6700 1 17 . 1 1 31 31 ALA N N 31 122.020 122.020 120.819 1.201 19178 6701 1 17 . 1 1 31 31 ALA HA H 31 4.539 4.539 4.672 -0.133 19178 6702 1 17 . 1 1 31 31 ALA C C 31 175.130 175.130 175.405 -0.275 19178 6703 1 17 . 1 1 31 31 ALA CA C 31 50.963 50.963 50.908 0.055 19178 6704 1 17 . 1 1 31 31 ALA CB C 31 22.314 22.314 21.793 0.521 19178 6705 1 17 . 1 1 31 31 ALA H H 31 8.981 8.981 8.425 0.556 19178 6706 1 17 . 1 1 32 32 ARG N N 32 118.606 118.606 123.658 -5.052 19178 6707 1 17 . 1 1 32 32 ARG HA H 32 5.342 5.342 4.648 0.694 19178 6708 1 17 . 1 1 32 32 ARG C C 32 178.051 178.051 174.641 3.410 19178 6709 1 17 . 1 1 32 32 ARG CA C 32 54.543 54.543 54.686 -0.143 19178 6710 1 17 . 1 1 32 32 ARG CB C 32 31.485 31.485 32.108 -0.623 19178 6711 1 17 . 1 1 32 32 ARG H H 32 8.223 8.223 8.353 -0.130 19178 6712 1 17 . 1 1 33 33 CYS N N 33 125.750 125.750 123.788 1.962 19178 6713 1 17 . 1 1 33 33 CYS HA H 33 4.117 4.117 4.614 -0.497 19178 6714 1 17 . 1 1 33 33 CYS C C 33 175.978 175.978 176.781 -0.803 19178 6715 1 17 . 1 1 33 33 CYS CA C 33 60.620 60.620 58.090 2.530 19178 6716 1 17 . 1 1 33 33 CYS CB C 33 27.213 27.213 29.633 -2.420 19178 6717 1 17 . 1 1 33 33 CYS H H 33 8.314 8.314 8.684 -0.370 19178 6718 1 17 . 1 1 34 34 ARG N N 34 128.053 128.053 127.911 0.142 19178 6719 1 17 . 1 1 34 34 ARG HA H 34 3.926 3.926 4.109 -0.183 19178 6720 1 17 . 1 1 34 34 ARG C C 34 176.565 176.565 175.672 0.893 19178 6721 1 17 . 1 1 34 34 ARG CA C 34 58.719 58.719 58.518 0.201 19178 6722 1 17 . 1 1 34 34 ARG CB C 34 30.159 30.159 29.655 0.504 19178 6723 1 17 . 1 1 34 34 ARG H H 34 8.578 8.578 8.872 -0.294 19178 6724 1 17 . 1 1 35 35 ILE N N 35 122.502 122.502 116.839 5.663 19178 6725 1 17 . 1 1 35 35 ILE HA H 35 3.843 3.843 4.188 -0.345 19178 6726 1 17 . 1 1 35 35 ILE C C 35 176.028 176.028 175.011 1.017 19178 6727 1 17 . 1 1 35 35 ILE CA C 35 62.035 62.035 61.133 0.902 19178 6728 1 17 . 1 1 35 35 ILE CB C 35 39.125 39.125 38.337 0.787 19178 6729 1 17 . 1 1 35 35 ILE H H 35 8.932 8.932 7.456 1.476 19178 6730 1 17 . 1 1 36 36 HIS N N 36 121.974 121.974 117.064 4.910 19178 6731 1 17 . 1 1 36 36 HIS HA H 36 4.569 4.569 4.914 -0.345 19178 6732 1 17 . 1 1 36 36 HIS CB C 36 31.187 31.187 31.779 -0.592 19178 6733 1 17 . 1 1 36 36 HIS H H 36 8.078 8.078 7.547 0.531 19178 6734 1 17 . 1 1 37 37 ASN N N 37 119.433 119.433 119.458 -0.025 19178 6735 1 17 . 1 1 37 37 ASN HA H 37 4.399 4.399 4.660 -0.261 19178 6736 1 17 . 1 1 37 37 ASN C C 37 173.906 173.906 175.564 -1.658 19178 6737 1 17 . 1 1 37 37 ASN CA C 37 56.407 56.407 53.598 2.809 19178 6738 1 17 . 1 1 37 37 ASN CB C 37 39.331 39.331 39.362 -0.031 19178 6739 1 17 . 1 1 37 37 ASN H H 37 8.386 8.386 8.498 -0.112 19178 6740 1 17 . 1 1 38 38 ASP N N 38 112.673 112.673 118.386 -5.713 19178 6741 1 17 . 1 1 38 38 ASP HA H 38 4.385 4.385 4.787 -0.402 19178 6742 1 17 . 1 1 38 38 ASP C C 38 175.841 175.841 175.080 0.761 19178 6743 1 17 . 1 1 38 38 ASP CA C 38 53.983 53.983 54.651 -0.668 19178 6744 1 17 . 1 1 38 38 ASP CB C 38 40.263 40.263 40.990 -0.727 19178 6745 1 17 . 1 1 38 38 ASP H H 38 8.880 8.880 8.456 0.424 19178 6746 1 17 . 1 1 39 39 VAL N N 39 124.385 124.385 119.506 4.879 19178 6747 1 17 . 1 1 39 39 VAL HA H 39 3.944 3.944 4.065 -0.121 19178 6748 1 17 . 1 1 39 39 VAL C C 39 173.731 173.731 174.108 -0.377 19178 6749 1 17 . 1 1 39 39 VAL CA C 39 63.514 63.514 61.658 1.856 19178 6750 1 17 . 1 1 39 39 VAL CB C 39 32.408 32.408 33.306 -0.898 19178 6751 1 17 . 1 1 39 39 VAL H H 39 8.253 8.253 7.722 0.531 19178 6752 1 17 . 1 1 40 40 ILE N N 40 128.130 128.130 125.873 2.257 19178 6753 1 17 . 1 1 40 40 ILE HA H 40 4.222 4.222 4.162 0.060 19178 6754 1 17 . 1 1 40 40 ILE C C 40 174.090 174.090 173.475 0.615 19178 6755 1 17 . 1 1 40 40 ILE CA C 40 60.635 60.635 58.622 2.013 19178 6756 1 17 . 1 1 40 40 ILE CB C 40 38.281 38.281 38.861 -0.580 19178 6757 1 17 . 1 1 40 40 ILE H H 40 7.836 7.836 7.564 0.272 19178 6758 1 17 . 1 1 41 41 LEU N N 41 124.924 124.924 129.131 -4.207 19178 6759 1 17 . 1 1 41 41 LEU HA H 41 4.884 4.884 4.702 0.182 19178 6760 1 17 . 1 1 41 41 LEU C C 41 175.989 175.989 175.236 0.753 19178 6761 1 17 . 1 1 41 41 LEU CA C 41 52.654 52.654 53.625 -0.971 19178 6762 1 17 . 1 1 41 41 LEU CB C 41 45.122 45.122 44.628 0.494 19178 6763 1 17 . 1 1 41 41 LEU H H 41 8.836 8.836 8.802 0.034 19178 6764 1 17 . 1 1 42 42 ASP N N 42 119.247 119.247 123.479 -4.232 19178 6765 1 17 . 1 1 42 42 ASP HA H 42 4.858 4.858 4.423 0.435 19178 6766 1 17 . 1 1 42 42 ASP C C 42 176.128 176.128 175.457 0.671 19178 6767 1 17 . 1 1 42 42 ASP CA C 42 53.328 53.328 54.320 -0.992 19178 6768 1 17 . 1 1 42 42 ASP CB C 42 41.408 41.408 41.789 -0.381 19178 6769 1 17 . 1 1 42 42 ASP H H 42 8.725 8.725 8.422 0.303 19178 6770 1 17 . 1 1 43 43 SER N N 43 123.344 123.344 121.192 2.152 19178 6771 1 17 . 1 1 43 43 SER HA H 43 4.178 4.178 4.674 -0.496 19178 6772 1 17 . 1 1 43 43 SER C C 43 176.291 176.291 175.369 0.922 19178 6773 1 17 . 1 1 43 43 SER CA C 43 60.431 60.431 59.677 0.754 19178 6774 1 17 . 1 1 43 43 SER CB C 43 64.943 64.943 63.838 1.105 19178 6775 1 17 . 1 1 43 43 SER H H 43 8.462 8.462 8.422 0.040 19178 6776 1 17 . 1 1 44 44 GLY N N 44 112.184 112.184 108.100 4.084 19178 6777 1 17 . 1 1 44 44 GLY C C 44 174.525 174.525 174.389 0.136 19178 6778 1 17 . 1 1 44 44 GLY CA C 44 45.368 45.368 44.843 0.526 19178 6779 1 17 . 1 1 44 44 GLY H H 44 9.230 9.230 8.381 0.849 19178 6780 1 17 . 1 1 45 45 ASN N N 45 119.774 119.774 117.983 1.791 19178 6781 1 17 . 1 1 45 45 ASN HA H 45 4.681 4.681 4.762 -0.081 19178 6782 1 17 . 1 1 45 45 ASN C C 45 174.866 174.866 174.694 0.172 19178 6783 1 17 . 1 1 45 45 ASN CA C 45 52.807 52.807 52.652 0.155 19178 6784 1 17 . 1 1 45 45 ASN CB C 45 39.241 39.241 39.381 -0.140 19178 6785 1 17 . 1 1 45 45 ASN H H 45 8.486 8.486 7.921 0.565 19178 6786 1 17 . 1 1 46 46 ASP N N 46 120.223 120.223 120.499 -0.276 19178 6787 1 17 . 1 1 46 46 ASP HA H 46 4.367 4.367 4.415 -0.048 19178 6788 1 17 . 1 1 46 46 ASP C C 46 177.272 177.272 176.290 0.982 19178 6789 1 17 . 1 1 46 46 ASP CA C 46 54.869 54.869 55.368 -0.499 19178 6790 1 17 . 1 1 46 46 ASP CB C 46 42.461 42.461 39.725 2.736 19178 6791 1 17 . 1 1 46 46 ASP H H 46 8.387 8.387 8.673 -0.286 19178 6792 1 17 . 1 1 47 47 ALA N N 47 126.587 126.587 128.863 -2.276 19178 6793 1 17 . 1 1 47 47 ALA HA H 47 3.741 3.741 3.841 -0.100 19178 6794 1 17 . 1 1 47 47 ALA C C 47 177.980 177.980 177.744 0.236 19178 6795 1 17 . 1 1 47 47 ALA CA C 47 53.866 53.866 54.467 -0.600 19178 6796 1 17 . 1 1 47 47 ALA CB C 47 16.554 16.554 18.578 -2.024 19178 6797 1 17 . 1 1 47 47 ALA H H 47 8.747 8.747 8.031 0.716 19178 6798 1 17 . 1 1 48 48 SER N N 48 115.463 115.463 112.473 2.990 19178 6799 1 17 . 1 1 48 48 SER HA H 48 4.203 4.203 4.089 0.114 19178 6800 1 17 . 1 1 48 48 SER CA C 48 61.994 61.994 61.054 0.940 19178 6801 1 17 . 1 1 48 48 SER H H 48 8.973 8.973 8.300 0.673 19178 6802 1 17 . 1 1 49 49 SER C C 49 176.587 176.587 176.255 0.332 19178 6803 1 17 . 1 1 49 49 SER CA C 49 62.279 62.279 61.198 1.081 19178 6804 1 17 . 1 1 50 50 ALA N N 50 125.775 125.775 125.107 0.668 19178 6805 1 17 . 1 1 50 50 ALA HA H 50 4.076 4.076 4.266 -0.190 19178 6806 1 17 . 1 1 50 50 ALA C C 50 179.125 179.125 179.864 -0.739 19178 6807 1 17 . 1 1 50 50 ALA CA C 50 54.822 54.822 54.583 0.239 19178 6808 1 17 . 1 1 50 50 ALA CB C 50 18.834 18.834 18.477 0.357 19178 6809 1 17 . 1 1 50 50 ALA H H 50 7.620 7.620 7.316 0.304 19178 6810 1 17 . 1 1 51 51 TYR N N 51 117.562 117.562 118.062 -0.500 19178 6811 1 17 . 1 1 51 51 TYR HA H 51 4.275 4.275 4.105 0.170 19178 6812 1 17 . 1 1 51 51 TYR C C 51 179.622 179.622 178.174 1.448 19178 6813 1 17 . 1 1 51 51 TYR CA C 51 60.966 60.966 58.958 2.008 19178 6814 1 17 . 1 1 51 51 TYR CB C 51 36.803 36.803 37.212 -0.409 19178 6815 1 17 . 1 1 51 51 TYR H H 51 7.397 7.397 8.024 -0.627 19178 6816 1 17 . 1 1 52 52 LYS N N 52 121.441 121.441 119.966 1.475 19178 6817 1 17 . 1 1 52 52 LYS HA H 52 4.103 4.103 4.042 0.061 19178 6818 1 17 . 1 1 52 52 LYS C C 52 179.041 179.041 179.061 -0.020 19178 6819 1 17 . 1 1 52 52 LYS CA C 52 59.827 59.827 59.615 0.212 19178 6820 1 17 . 1 1 52 52 LYS H H 52 8.332 8.332 8.107 0.225 19178 6821 1 17 . 1 1 53 53 LEU N N 53 122.286 122.286 120.749 1.537 19178 6822 1 17 . 1 1 53 53 LEU HA H 53 4.376 4.376 4.190 0.186 19178 6823 1 17 . 1 1 53 53 LEU C C 53 178.373 178.373 179.077 -0.704 19178 6824 1 17 . 1 1 53 53 LEU CA C 53 57.863 57.863 57.389 0.474 19178 6825 1 17 . 1 1 53 53 LEU CB C 53 41.288 41.288 40.904 0.384 19178 6826 1 17 . 1 1 53 53 LEU H H 53 7.671 7.671 8.162 -0.491 19178 6827 1 17 . 1 1 54 54 GLY N N 54 127.824 127.824 107.389 20.435 19178 6828 1 17 . 1 1 54 54 GLY C C 54 174.865 174.865 175.696 -0.831 19178 6829 1 17 . 1 1 54 54 GLY CA C 54 47.971 47.971 47.130 0.841 19178 6830 1 17 . 1 1 54 54 GLY H H 54 9.020 9.020 8.593 0.427 19178 6831 1 17 . 1 1 55 55 THR N N 55 117.961 117.961 118.354 -0.393 19178 6832 1 17 . 1 1 55 55 THR HA H 55 4.445 4.445 4.202 0.243 19178 6833 1 17 . 1 1 55 55 THR C C 55 175.188 175.188 176.026 -0.838 19178 6834 1 17 . 1 1 55 55 THR CA C 55 67.593 67.593 66.536 1.057 19178 6835 1 17 . 1 1 55 55 THR H H 55 8.123 8.123 8.127 -0.004 19178 6836 1 17 . 1 1 56 56 TYR N N 56 122.294 122.294 122.515 -0.221 19178 6837 1 17 . 1 1 56 56 TYR HA H 56 4.346 4.346 4.458 -0.112 19178 6838 1 17 . 1 1 56 56 TYR C C 56 177.909 177.909 177.179 0.730 19178 6839 1 17 . 1 1 56 56 TYR CA C 56 61.147 61.147 61.262 -0.115 19178 6840 1 17 . 1 1 56 56 TYR CB C 56 37.981 37.981 38.567 -0.586 19178 6841 1 17 . 1 1 56 56 TYR H H 56 7.697 7.697 8.196 -0.499 19178 6842 1 17 . 1 1 57 57 LEU N N 57 118.703 118.703 118.711 -0.008 19178 6843 1 17 . 1 1 57 57 LEU HA H 57 3.914 3.914 3.949 -0.035 19178 6844 1 17 . 1 1 57 57 LEU C C 57 180.087 180.087 177.783 2.304 19178 6845 1 17 . 1 1 57 57 LEU CA C 57 57.780 57.780 56.881 0.899 19178 6846 1 17 . 1 1 57 57 LEU CB C 57 42.026 42.026 41.261 0.764 19178 6847 1 17 . 1 1 57 57 LEU H H 57 8.909 8.909 7.812 1.097 19178 6848 1 17 . 1 1 58 58 TYR N N 58 120.667 120.667 117.311 3.356 19178 6849 1 17 . 1 1 58 58 TYR HA H 58 4.209 4.209 4.400 -0.191 19178 6850 1 17 . 1 1 58 58 TYR C C 58 177.511 177.511 176.022 1.489 19178 6851 1 17 . 1 1 58 58 TYR CA C 58 61.641 61.641 59.584 2.057 19178 6852 1 17 . 1 1 58 58 TYR H H 58 8.971 8.971 8.077 0.894 19178 6853 1 17 . 1 1 59 59 GLN N N 59 119.344 119.344 116.160 3.184 19178 6854 1 17 . 1 1 59 59 GLN HA H 59 4.668 4.668 4.580 0.088 19178 6855 1 17 . 1 1 59 59 GLN C C 59 179.270 179.270 173.870 5.400 19178 6856 1 17 . 1 1 59 59 GLN H H 59 8.378 8.378 7.884 0.494 19178 6857 1 17 . 1 1 67 67 PHE HA H 67 4.852 4.852 4.254 0.598 19178 6858 1 17 . 1 1 67 67 PHE C C 67 175.889 175.889 175.724 0.165 19178 6859 1 17 . 1 1 67 67 PHE CA C 67 55.576 55.576 58.200 -2.624 19178 6860 1 17 . 1 1 67 67 PHE CB C 67 42.444 42.444 39.026 3.418 19178 6861 1 17 . 1 1 68 68 ASN N N 68 120.775 120.775 118.094 2.681 19178 6862 1 17 . 1 1 68 68 ASN C C 68 175.338 175.338 175.170 0.168 19178 6863 1 17 . 1 1 68 68 ASN CA C 68 55.092 55.092 53.295 1.797 19178 6864 1 17 . 1 1 68 68 ASN CB C 68 40.006 40.006 39.691 0.314 19178 6865 1 17 . 1 1 68 68 ASN H H 68 9.560 9.560 7.901 1.659 19178 6866 1 17 . 1 1 69 69 THR N N 69 127.914 127.914 117.551 10.363 19178 6867 1 17 . 1 1 69 69 THR HA H 69 4.732 4.732 4.611 0.121 19178 6868 1 17 . 1 1 69 69 THR C C 69 173.530 173.530 175.627 -2.097 19178 6869 1 17 . 1 1 69 69 THR CA C 69 58.877 58.877 61.072 -2.195 19178 6870 1 17 . 1 1 69 69 THR CB C 69 73.620 73.620 70.963 2.657 19178 6871 1 17 . 1 1 69 69 THR H H 69 7.237 7.237 8.052 -0.815 19178 6872 1 17 . 1 1 70 70 LEU N N 70 122.013 122.013 125.223 -3.210 19178 6873 1 17 . 1 1 70 70 LEU HA H 70 3.005 3.005 4.034 -1.029 19178 6874 1 17 . 1 1 70 70 LEU C C 70 178.252 178.252 178.117 0.135 19178 6875 1 17 . 1 1 70 70 LEU CA C 70 56.721 56.721 57.751 -1.030 19178 6876 1 17 . 1 1 70 70 LEU CB C 70 41.199 41.199 41.347 -0.148 19178 6877 1 17 . 1 1 70 70 LEU H H 70 8.614 8.614 8.866 -0.252 19178 6878 1 17 . 1 1 71 71 THR N N 71 114.041 114.041 114.517 -0.476 19178 6879 1 17 . 1 1 71 71 THR HA H 71 3.620 3.620 3.884 -0.264 19178 6880 1 17 . 1 1 71 71 THR C C 71 175.400 175.400 176.997 -1.597 19178 6881 1 17 . 1 1 71 71 THR CA C 71 66.405 66.405 66.439 -0.034 19178 6882 1 17 . 1 1 71 71 THR CB C 71 68.517 68.517 68.153 0.364 19178 6883 1 17 . 1 1 71 71 THR H H 71 7.694 7.694 8.247 -0.553 19178 6884 1 17 . 1 1 72 72 GLU N N 72 120.141 120.141 120.680 -0.539 19178 6885 1 17 . 1 1 72 72 GLU HA H 72 3.997 3.997 3.914 0.083 19178 6886 1 17 . 1 1 72 72 GLU C C 72 178.982 178.982 178.667 0.315 19178 6887 1 17 . 1 1 72 72 GLU CA C 72 59.250 59.250 59.500 -0.250 19178 6888 1 17 . 1 1 72 72 GLU CB C 72 30.907 30.907 29.205 1.702 19178 6889 1 17 . 1 1 72 72 GLU H H 72 7.514 7.514 8.165 -0.651 19178 6890 1 17 . 1 1 73 73 ALA N N 73 123.400 123.400 122.819 0.581 19178 6891 1 17 . 1 1 73 73 ALA HA H 73 2.167 2.167 3.612 -1.445 19178 6892 1 17 . 1 1 73 73 ALA C C 73 178.959 178.959 179.467 -0.508 19178 6893 1 17 . 1 1 73 73 ALA CA C 73 54.323 54.323 54.977 -0.654 19178 6894 1 17 . 1 1 73 73 ALA CB C 73 17.561 17.561 18.014 -0.453 19178 6895 1 17 . 1 1 73 73 ALA H H 73 6.788 6.788 7.406 -0.618 19178 6896 1 17 . 1 1 74 74 ARG N N 74 116.272 116.272 117.172 -0.900 19178 6897 1 17 . 1 1 74 74 ARG HA H 74 3.887 3.887 3.763 0.124 19178 6898 1 17 . 1 1 74 74 ARG C C 74 179.230 179.230 178.211 1.019 19178 6899 1 17 . 1 1 74 74 ARG CA C 74 60.442 60.442 59.850 0.592 19178 6900 1 17 . 1 1 74 74 ARG CB C 74 29.878 29.878 29.897 -0.019 19178 6901 1 17 . 1 1 74 74 ARG H H 74 8.145 8.145 8.153 -0.008 19178 6902 1 17 . 1 1 75 75 ASP N N 75 120.487 120.487 118.437 2.050 19178 6903 1 17 . 1 1 75 75 ASP HA H 75 4.446 4.446 4.437 0.009 19178 6904 1 17 . 1 1 75 75 ASP C C 75 178.040 178.040 177.614 0.426 19178 6905 1 17 . 1 1 75 75 ASP CA C 75 57.166 57.166 56.535 0.631 19178 6906 1 17 . 1 1 75 75 ASP CB C 75 39.687 39.687 40.516 -0.829 19178 6907 1 17 . 1 1 75 75 ASP H H 75 8.594 8.594 8.107 0.487 19178 6908 1 17 . 1 1 76 76 ALA N N 76 122.773 122.773 122.814 -0.041 19178 6909 1 17 . 1 1 76 76 ALA HA H 76 4.345 4.345 4.084 0.261 19178 6910 1 17 . 1 1 76 76 ALA C C 76 181.221 181.221 179.699 1.522 19178 6911 1 17 . 1 1 76 76 ALA CA C 76 55.245 55.245 55.008 0.237 19178 6912 1 17 . 1 1 76 76 ALA CB C 76 18.316 18.316 18.616 -0.300 19178 6913 1 17 . 1 1 76 76 ALA H H 76 7.668 7.668 7.704 -0.036 19178 6914 1 17 . 1 1 77 77 ILE N N 77 120.254 120.254 118.487 1.767 19178 6915 1 17 . 1 1 77 77 ILE HA H 77 3.632 3.632 3.979 -0.347 19178 6916 1 17 . 1 1 77 77 ILE C C 77 176.567 176.567 177.777 -1.210 19178 6917 1 17 . 1 1 77 77 ILE CA C 77 66.365 66.365 62.499 3.866 19178 6918 1 17 . 1 1 77 77 ILE CB C 77 37.947 37.947 36.354 1.593 19178 6919 1 17 . 1 1 77 77 ILE H H 77 7.724 7.724 8.215 -0.491 19178 6920 1 17 . 1 1 78 78 LYS N N 78 122.773 122.773 120.708 2.065 19178 6921 1 17 . 1 1 78 78 LYS HA H 78 4.265 4.265 3.950 0.315 19178 6922 1 17 . 1 1 78 78 LYS C C 78 178.382 178.382 178.781 -0.399 19178 6923 1 17 . 1 1 78 78 LYS CA C 78 60.442 60.442 59.609 0.833 19178 6924 1 17 . 1 1 78 78 LYS CB C 78 33.021 33.021 31.995 1.026 19178 6925 1 17 . 1 1 78 78 LYS H H 78 8.465 8.465 8.174 0.291 19178 6926 1 17 . 1 1 79 79 ASP N N 79 118.165 118.165 120.294 -2.129 19178 6927 1 17 . 1 1 79 79 ASP HA H 79 4.353 4.353 4.451 -0.098 19178 6928 1 17 . 1 1 79 79 ASP C C 79 179.289 179.289 178.139 1.150 19178 6929 1 17 . 1 1 79 79 ASP CA C 79 57.245 57.245 57.223 0.022 19178 6930 1 17 . 1 1 79 79 ASP H H 79 8.541 8.541 8.301 0.240 19178 6931 1 17 . 1 1 80 80 ALA N N 80 122.362 122.362 123.137 -0.775 19178 6932 1 17 . 1 1 80 80 ALA HA H 80 4.340 4.340 4.352 -0.012 19178 6933 1 17 . 1 1 80 80 ALA C C 80 179.265 179.265 180.668 -1.403 19178 6934 1 17 . 1 1 80 80 ALA CA C 80 54.979 54.979 54.965 0.014 19178 6935 1 17 . 1 1 80 80 ALA CB C 80 18.254 18.254 18.672 -0.417 19178 6936 1 17 . 1 1 80 80 ALA H H 80 7.727 7.727 7.926 -0.199 19178 6937 1 17 . 1 1 81 81 TYR N N 81 118.882 118.882 118.100 0.782 19178 6938 1 17 . 1 1 81 81 TYR HA H 81 4.115 4.115 4.234 -0.119 19178 6939 1 17 . 1 1 81 81 TYR C C 81 178.146 178.146 178.460 -0.314 19178 6940 1 17 . 1 1 81 81 TYR CA C 81 61.635 61.635 61.372 0.263 19178 6941 1 17 . 1 1 81 81 TYR CB C 81 38.115 38.115 38.271 -0.156 19178 6942 1 17 . 1 1 81 81 TYR H H 81 9.037 9.037 9.180 -0.143 19178 6943 1 17 . 1 1 82 82 GLU N N 82 116.630 116.630 118.173 -1.543 19178 6944 1 17 . 1 1 82 82 GLU HA H 82 3.816 3.816 4.207 -0.391 19178 6945 1 17 . 1 1 82 82 GLU C C 82 178.664 178.664 178.700 -0.036 19178 6946 1 17 . 1 1 82 82 GLU CA C 82 59.304 59.304 58.488 0.816 19178 6947 1 17 . 1 1 82 82 GLU CB C 82 28.848 28.848 29.511 -0.662 19178 6948 1 17 . 1 1 82 82 GLU H H 82 8.854 8.854 8.038 0.816 19178 6949 1 17 . 1 1 83 83 SER N N 83 114.004 114.004 116.096 -2.092 19178 6950 1 17 . 1 1 83 83 SER HA H 83 4.164 4.164 4.339 -0.175 19178 6951 1 17 . 1 1 83 83 SER C C 83 174.387 174.387 175.540 -1.153 19178 6952 1 17 . 1 1 83 83 SER CA C 83 61.038 61.038 60.610 0.428 19178 6953 1 17 . 1 1 83 83 SER CB C 83 63.152 63.152 63.401 -0.249 19178 6954 1 17 . 1 1 83 83 SER H H 83 7.573 7.573 8.438 -0.865 19178 6955 1 17 . 1 1 84 84 TYR N N 84 117.323 117.323 119.544 -2.221 19178 6956 1 17 . 1 1 84 84 TYR HA H 84 4.595 4.595 4.733 -0.138 19178 6957 1 17 . 1 1 84 84 TYR C C 84 174.434 174.434 175.186 -0.752 19178 6958 1 17 . 1 1 84 84 TYR CA C 84 58.871 58.871 57.178 1.693 19178 6959 1 17 . 1 1 84 84 TYR CB C 84 41.746 41.746 39.577 2.169 19178 6960 1 17 . 1 1 84 84 TYR H H 84 7.319 7.319 8.382 -1.063 19178 6961 1 17 . 1 1 85 85 CYS N N 85 118.762 118.762 119.083 -0.321 19178 6962 1 17 . 1 1 85 85 CYS HA H 85 3.940 3.940 4.144 -0.204 19178 6963 1 17 . 1 1 85 85 CYS C C 85 176.178 176.178 175.536 0.642 19178 6964 1 17 . 1 1 85 85 CYS CA C 85 58.817 58.817 61.823 -3.006 19178 6965 1 17 . 1 1 85 85 CYS CB C 85 26.042 26.042 28.292 -2.250 19178 6966 1 17 . 1 1 85 85 CYS H H 85 7.670 7.670 7.776 -0.106 19178 6967 1 17 . 1 1 86 86 GLY N N 86 113.730 113.730 115.442 -1.712 19178 6968 1 17 . 1 1 86 86 GLY C C 86 174.587 174.587 173.664 0.923 19178 6969 1 17 . 1 1 86 86 GLY CA C 86 45.214 45.214 44.994 0.220 19178 6970 1 17 . 1 1 86 86 GLY H H 86 10.799 10.799 8.532 2.267 19178 6971 1 17 . 1 1 87 87 ILE N N 87 122.743 122.743 118.016 4.727 19178 6972 1 17 . 1 1 87 87 ILE HA H 87 4.291 4.291 4.625 -0.334 19178 6973 1 17 . 1 1 87 87 ILE C C 87 174.340 174.340 173.660 0.680 19178 6974 1 17 . 1 1 87 87 ILE CA C 87 60.968 60.968 60.002 0.966 19178 6975 1 17 . 1 1 87 87 ILE CB C 87 35.512 35.512 39.948 -4.436 19178 6976 1 17 . 1 1 87 87 ILE H H 87 8.023 8.023 7.497 0.526 19178 6977 1 17 . 1 1 88 88 ASP N N 88 125.059 125.059 125.665 -0.606 19178 6978 1 17 . 1 1 88 88 ASP HA H 88 4.750 4.750 4.680 0.070 19178 6979 1 17 . 1 1 88 88 ASP C C 88 175.895 175.895 174.494 1.401 19178 6980 1 17 . 1 1 88 88 ASP CA C 88 54.319 54.319 53.598 0.721 19178 6981 1 17 . 1 1 88 88 ASP CB C 88 41.692 41.692 42.480 -0.788 19178 6982 1 17 . 1 1 88 88 ASP H H 88 8.127 8.127 8.902 -0.774 19178 6983 1 17 . 1 1 89 89 ASP N N 89 117.971 117.971 116.527 1.444 19178 6984 1 17 . 1 1 89 89 ASP HA H 89 4.822 4.822 4.706 0.116 19178 6985 1 17 . 1 1 89 89 ASP C C 89 174.069 174.069 175.466 -1.397 19178 6986 1 17 . 1 1 89 89 ASP CA C 89 52.369 52.369 52.556 -0.187 19178 6987 1 17 . 1 1 89 89 ASP CB C 89 43.625 43.625 42.598 1.027 19178 6988 1 17 . 1 1 89 89 ASP H H 89 7.617 7.617 7.548 0.069 19178 6989 1 17 . 1 1 90 90 CYS N N 90 126.238 126.238 120.102 6.136 19178 6990 1 17 . 1 1 90 90 CYS C C 90 175.636 175.636 176.197 -0.561 19178 6991 1 17 . 1 1 90 90 CYS CA C 90 56.215 56.215 56.920 -0.705 19178 6992 1 17 . 1 1 90 90 CYS H H 90 8.936 8.936 8.942 -0.006 19178 6993 1 17 . 1 1 91 91 PRO HA H 91 4.460 4.460 4.274 0.186 19178 6994 1 17 . 1 1 91 91 PRO C C 91 178.629 178.629 178.758 -0.129 19178 6995 1 17 . 1 1 91 91 PRO CA C 91 64.614 64.614 65.207 -0.593 19178 6996 1 17 . 1 1 91 91 PRO CB C 91 32.208 32.208 32.125 0.083 19178 6997 1 17 . 1 1 92 92 GLN N N 92 119.363 119.363 118.932 0.431 19178 6998 1 17 . 1 1 92 92 GLN HA H 92 4.060 4.060 4.178 -0.118 19178 6999 1 17 . 1 1 92 92 GLN C C 92 178.181 178.181 177.778 0.403 19178 7000 1 17 . 1 1 92 92 GLN CA C 92 57.837 57.837 59.258 -1.421 19178 7001 1 17 . 1 1 92 92 GLN CB C 92 28.252 28.252 28.394 -0.142 19178 7002 1 17 . 1 1 92 92 GLN H H 92 8.253 8.253 8.693 -0.440 19178 7003 1 17 . 1 1 93 93 CYS N N 93 124.725 124.725 115.663 9.062 19178 7004 1 17 . 1 1 93 93 CYS HA H 93 4.269 4.269 4.319 -0.050 19178 7005 1 17 . 1 1 93 93 CYS C C 93 177.180 177.180 177.012 0.168 19178 7006 1 17 . 1 1 93 93 CYS CA C 93 64.366 64.366 62.168 2.198 19178 7007 1 17 . 1 1 93 93 CYS CB C 93 30.379 30.379 26.018 4.361 19178 7008 1 17 . 1 1 93 93 CYS H H 93 8.581 8.581 8.697 -0.116 19178 7009 1 17 . 1 1 94 94 SER N N 94 113.467 113.467 112.776 0.691 19178 7010 1 17 . 1 1 94 94 SER HA H 94 4.277 4.277 4.330 -0.053 19178 7011 1 17 . 1 1 94 94 SER C C 94 174.481 174.481 175.313 -0.832 19178 7012 1 17 . 1 1 94 94 SER CA C 94 59.432 59.432 60.539 -1.107 19178 7013 1 17 . 1 1 94 94 SER CB C 94 63.217 63.217 63.691 -0.474 19178 7014 1 17 . 1 1 94 94 SER H H 94 7.753 7.753 7.764 -0.011 19178 7015 1 17 . 1 1 95 95 LYS N N 95 121.369 121.369 120.064 1.305 19178 7016 1 17 . 1 1 95 95 LYS HA H 95 4.211 4.211 4.198 0.013 19178 7017 1 17 . 1 1 95 95 LYS C C 95 176.237 176.237 176.182 0.055 19178 7018 1 17 . 1 1 95 95 LYS CA C 95 56.622 56.622 57.218 -0.596 19178 7019 1 17 . 1 1 95 95 LYS CB C 95 32.756 32.756 33.234 -0.478 19178 7020 1 17 . 1 1 95 95 LYS H H 95 7.520 7.520 7.790 -0.270 19178 7021 1 17 . 1 1 96 96 TYR N N 96 121.000 121.000 119.443 1.557 19178 7022 1 17 . 1 1 96 96 TYR HA H 96 4.559 4.559 4.632 -0.073 19178 7023 1 17 . 1 1 96 96 TYR C C 96 175.577 175.577 174.292 1.285 19178 7024 1 17 . 1 1 96 96 TYR CA C 96 58.039 58.039 56.160 1.879 19178 7025 1 17 . 1 1 96 96 TYR CB C 96 38.694 38.694 41.389 -2.695 19178 7026 1 17 . 1 1 96 96 TYR H H 96 8.005 8.005 7.722 0.283 19178 7027 1 17 . 1 1 97 97 ILE N N 97 123.003 123.003 119.110 3.893 19178 7028 1 17 . 1 1 97 97 ILE HA H 97 4.120 4.120 3.935 0.185 19178 7029 1 17 . 1 1 97 97 ILE C C 97 175.194 175.194 174.893 0.301 19178 7030 1 17 . 1 1 97 97 ILE CA C 97 60.929 60.929 61.963 -1.034 19178 7031 1 17 . 1 1 97 97 ILE CB C 97 39.044 39.044 37.995 1.049 19178 7032 1 17 . 1 1 97 97 ILE H H 97 7.832 7.832 6.987 0.845 19178 7033 1 17 . 1 1 98 98 ASP N N 98 125.070 125.070 126.238 -1.168 19178 7034 1 17 . 1 1 98 98 ASP HA H 98 4.627 4.627 4.690 -0.063 19178 7035 1 17 . 1 1 98 98 ASP C C 98 174.976 174.976 176.363 -1.387 19178 7036 1 17 . 1 1 98 98 ASP CA C 98 54.184 54.184 53.332 0.852 19178 7037 1 17 . 1 1 98 98 ASP CB C 98 41.502 41.502 40.763 0.739 19178 7038 1 17 . 1 1 98 98 ASP H H 98 8.245 8.245 8.262 -0.017 19178 7039 1 18 . 1 1 16 16 GLN HA H 16 4.330 4.330 4.297 0.033 19178 7040 1 18 . 1 1 17 17 GLU N N 17 119.126 119.126 119.765 -0.639 19178 7041 1 18 . 1 1 17 17 GLU HA H 17 4.329 4.329 4.279 0.050 19178 7042 1 18 . 1 1 17 17 GLU H H 17 8.422 8.422 8.233 0.189 19178 7043 1 18 . 1 1 18 18 GLN N N 18 120.450 120.450 118.083 2.367 19178 7044 1 18 . 1 1 18 18 GLN HA H 18 4.081 4.081 4.231 -0.150 19178 7045 1 18 . 1 1 18 18 GLN H H 18 8.729 8.729 8.519 0.210 19178 7046 1 18 . 1 1 19 19 TRP N N 19 121.902 121.902 122.438 -0.536 19178 7047 1 18 . 1 1 19 19 TRP HA H 19 4.125 4.125 4.450 -0.325 19178 7048 1 18 . 1 1 19 19 TRP C C 19 179.400 179.400 177.867 1.533 19178 7049 1 18 . 1 1 19 19 TRP CA C 19 62.361 62.361 60.546 1.815 19178 7050 1 18 . 1 1 19 19 TRP CB C 19 29.938 29.938 29.424 0.514 19178 7051 1 18 . 1 1 19 19 TRP H H 19 8.561 8.561 7.922 0.639 19178 7052 1 18 . 1 1 20 20 ALA N N 20 122.759 122.759 121.897 0.862 19178 7053 1 18 . 1 1 20 20 ALA HA H 20 3.815 3.815 3.767 0.048 19178 7054 1 18 . 1 1 20 20 ALA C C 20 180.433 180.433 178.977 1.456 19178 7055 1 18 . 1 1 20 20 ALA CA C 20 55.619 55.619 54.875 0.744 19178 7056 1 18 . 1 1 20 20 ALA CB C 20 18.474 18.474 17.964 0.510 19178 7057 1 18 . 1 1 20 20 ALA H H 20 8.828 8.828 7.486 1.342 19178 7058 1 18 . 1 1 21 21 MET N N 21 117.474 117.474 117.398 0.076 19178 7059 1 18 . 1 1 21 21 MET HA H 21 4.479 4.479 4.055 0.424 19178 7060 1 18 . 1 1 21 21 MET C C 21 178.744 178.744 177.735 1.009 19178 7061 1 18 . 1 1 21 21 MET CA C 21 56.778 56.778 57.664 -0.887 19178 7062 1 18 . 1 1 21 21 MET CB C 21 29.956 29.956 32.234 -2.278 19178 7063 1 18 . 1 1 21 21 MET H H 21 8.702 8.702 7.507 1.195 19178 7064 1 18 . 1 1 22 22 GLN N N 22 119.738 119.738 119.971 -0.233 19178 7065 1 18 . 1 1 22 22 GLN HA H 22 4.025 4.025 3.752 0.273 19178 7066 1 18 . 1 1 22 22 GLN C C 22 180.104 180.104 177.743 2.361 19178 7067 1 18 . 1 1 22 22 GLN CA C 22 58.872 58.872 59.883 -1.011 19178 7068 1 18 . 1 1 22 22 GLN CB C 22 27.880 27.880 28.144 -0.264 19178 7069 1 18 . 1 1 22 22 GLN H H 22 8.531 8.531 8.038 0.493 19178 7070 1 18 . 1 1 23 23 THR N N 23 117.049 117.049 116.286 0.763 19178 7071 1 18 . 1 1 23 23 THR HA H 23 3.715 3.715 3.850 -0.135 19178 7072 1 18 . 1 1 23 23 THR C C 23 177.477 177.477 176.378 1.099 19178 7073 1 18 . 1 1 23 23 THR CA C 23 66.380 66.380 66.130 0.250 19178 7074 1 18 . 1 1 23 23 THR CB C 23 67.579 67.579 68.195 -0.616 19178 7075 1 18 . 1 1 23 23 THR H H 23 7.752 7.752 7.933 -0.181 19178 7076 1 18 . 1 1 24 24 LEU N N 24 125.735 125.735 121.919 3.816 19178 7077 1 18 . 1 1 24 24 LEU HA H 24 3.731 3.731 3.757 -0.026 19178 7078 1 18 . 1 1 24 24 LEU C C 24 178.544 178.544 178.439 0.105 19178 7079 1 18 . 1 1 24 24 LEU CA C 24 58.882 58.882 58.067 0.815 19178 7080 1 18 . 1 1 24 24 LEU CB C 24 41.550 41.550 41.923 -0.373 19178 7081 1 18 . 1 1 24 24 LEU H H 24 7.886 7.886 7.356 0.530 19178 7082 1 18 . 1 1 25 25 MET N N 25 118.622 118.622 116.012 2.610 19178 7083 1 18 . 1 1 25 25 MET HA H 25 4.717 4.717 4.506 0.211 19178 7084 1 18 . 1 1 25 25 MET C C 25 181.465 181.465 178.632 2.833 19178 7085 1 18 . 1 1 25 25 MET CA C 25 55.604 55.604 57.234 -1.631 19178 7086 1 18 . 1 1 25 25 MET CB C 25 32.071 32.071 32.260 -0.188 19178 7087 1 18 . 1 1 25 25 MET H H 25 8.619 8.619 8.418 0.201 19178 7088 1 18 . 1 1 26 26 GLY N N 26 110.755 110.755 107.943 2.812 19178 7089 1 18 . 1 1 26 26 GLY C C 26 174.662 174.662 175.721 -1.059 19178 7090 1 18 . 1 1 26 26 GLY CA C 26 46.788 46.788 46.284 0.504 19178 7091 1 18 . 1 1 26 26 GLY H H 26 8.953 8.953 8.422 0.531 19178 7092 1 18 . 1 1 27 27 SER N N 27 109.977 109.977 115.629 -5.652 19178 7093 1 18 . 1 1 27 27 SER HA H 27 4.422 4.422 4.219 0.203 19178 7094 1 18 . 1 1 27 27 SER C C 27 175.612 175.612 175.687 -0.075 19178 7095 1 18 . 1 1 27 27 SER CA C 27 58.309 58.309 59.113 -0.804 19178 7096 1 18 . 1 1 27 27 SER CB C 27 64.423 64.423 63.164 1.259 19178 7097 1 18 . 1 1 27 27 SER H H 27 7.335 7.335 7.625 -0.290 19178 7098 1 18 . 1 1 28 28 GLY N N 28 110.105 110.105 109.560 0.545 19178 7099 1 18 . 1 1 28 28 GLY C C 28 174.029 174.029 175.072 -1.043 19178 7100 1 18 . 1 1 28 28 GLY CA C 28 45.371 45.371 45.329 0.042 19178 7101 1 18 . 1 1 28 28 GLY H H 28 7.536 7.536 7.800 -0.264 19178 7102 1 18 . 1 1 29 29 VAL N N 29 121.444 121.444 119.890 1.554 19178 7103 1 18 . 1 1 29 29 VAL HA H 29 4.720 4.720 3.932 0.788 19178 7104 1 18 . 1 1 29 29 VAL C C 29 177.149 177.149 175.986 1.163 19178 7105 1 18 . 1 1 29 29 VAL CA C 29 66.474 66.474 65.308 1.166 19178 7106 1 18 . 1 1 29 29 VAL CB C 29 32.694 32.694 32.415 0.279 19178 7107 1 18 . 1 1 29 29 VAL H H 29 7.738 7.738 7.587 0.151 19178 7108 1 18 . 1 1 30 30 LEU N N 30 115.594 115.594 116.433 -0.839 19178 7109 1 18 . 1 1 30 30 LEU HA H 30 5.349 5.349 4.302 1.047 19178 7110 1 18 . 1 1 30 30 LEU C C 30 174.427 174.427 174.745 -0.318 19178 7111 1 18 . 1 1 30 30 LEU CA C 30 52.231 52.231 53.476 -1.245 19178 7112 1 18 . 1 1 30 30 LEU CB C 30 43.525 43.525 44.142 -0.617 19178 7113 1 18 . 1 1 30 30 LEU H H 30 7.090 7.090 7.054 0.036 19178 7114 1 18 . 1 1 31 31 ALA N N 31 122.020 122.020 120.980 1.040 19178 7115 1 18 . 1 1 31 31 ALA HA H 31 4.539 4.539 4.689 -0.150 19178 7116 1 18 . 1 1 31 31 ALA C C 31 175.130 175.130 175.627 -0.497 19178 7117 1 18 . 1 1 31 31 ALA CA C 31 50.963 50.963 50.753 0.210 19178 7118 1 18 . 1 1 31 31 ALA CB C 31 22.314 22.314 21.022 1.292 19178 7119 1 18 . 1 1 31 31 ALA H H 31 8.981 8.981 8.251 0.730 19178 7120 1 18 . 1 1 32 32 ARG N N 32 118.606 118.606 121.529 -2.923 19178 7121 1 18 . 1 1 32 32 ARG HA H 32 5.342 5.342 4.584 0.758 19178 7122 1 18 . 1 1 32 32 ARG C C 32 178.051 178.051 175.497 2.554 19178 7123 1 18 . 1 1 32 32 ARG CA C 32 54.543 54.543 54.580 -0.037 19178 7124 1 18 . 1 1 32 32 ARG CB C 32 31.485 31.485 32.714 -1.229 19178 7125 1 18 . 1 1 32 32 ARG H H 32 8.223 8.223 8.220 0.003 19178 7126 1 18 . 1 1 33 33 CYS N N 33 125.750 125.750 121.990 3.760 19178 7127 1 18 . 1 1 33 33 CYS HA H 33 4.117 4.117 4.510 -0.393 19178 7128 1 18 . 1 1 33 33 CYS C C 33 175.978 175.978 176.961 -0.983 19178 7129 1 18 . 1 1 33 33 CYS CA C 33 60.620 60.620 58.677 1.943 19178 7130 1 18 . 1 1 33 33 CYS CB C 33 27.213 27.213 29.319 -2.106 19178 7131 1 18 . 1 1 33 33 CYS H H 33 8.314 8.314 8.456 -0.142 19178 7132 1 18 . 1 1 34 34 ARG N N 34 128.053 128.053 127.832 0.221 19178 7133 1 18 . 1 1 34 34 ARG HA H 34 3.926 3.926 4.073 -0.147 19178 7134 1 18 . 1 1 34 34 ARG C C 34 176.565 176.565 175.587 0.978 19178 7135 1 18 . 1 1 34 34 ARG CA C 34 58.719 58.719 58.522 0.197 19178 7136 1 18 . 1 1 34 34 ARG CB C 34 30.159 30.159 29.607 0.552 19178 7137 1 18 . 1 1 34 34 ARG H H 34 8.578 8.578 8.802 -0.224 19178 7138 1 18 . 1 1 35 35 ILE N N 35 122.502 122.502 116.115 6.387 19178 7139 1 18 . 1 1 35 35 ILE HA H 35 3.843 3.843 4.021 -0.178 19178 7140 1 18 . 1 1 35 35 ILE C C 35 176.028 176.028 174.642 1.386 19178 7141 1 18 . 1 1 35 35 ILE CA C 35 62.035 62.035 60.710 1.325 19178 7142 1 18 . 1 1 35 35 ILE CB C 35 39.125 39.125 39.173 -0.048 19178 7143 1 18 . 1 1 35 35 ILE H H 35 8.932 8.932 7.147 1.785 19178 7144 1 18 . 1 1 36 36 HIS N N 36 121.974 121.974 118.970 3.004 19178 7145 1 18 . 1 1 36 36 HIS HA H 36 4.569 4.569 4.895 -0.326 19178 7146 1 18 . 1 1 36 36 HIS CB C 36 31.187 31.187 30.819 0.368 19178 7147 1 18 . 1 1 36 36 HIS H H 36 8.078 8.078 7.703 0.375 19178 7148 1 18 . 1 1 37 37 ASN N N 37 119.433 119.433 119.499 -0.066 19178 7149 1 18 . 1 1 37 37 ASN HA H 37 4.399 4.399 4.671 -0.272 19178 7150 1 18 . 1 1 37 37 ASN C C 37 173.906 173.906 175.282 -1.376 19178 7151 1 18 . 1 1 37 37 ASN CA C 37 56.407 56.407 53.853 2.554 19178 7152 1 18 . 1 1 37 37 ASN CB C 37 39.331 39.331 39.405 -0.074 19178 7153 1 18 . 1 1 37 37 ASN H H 37 8.386 8.386 8.683 -0.297 19178 7154 1 18 . 1 1 38 38 ASP N N 38 112.673 112.673 117.879 -5.206 19178 7155 1 18 . 1 1 38 38 ASP HA H 38 4.385 4.385 4.818 -0.433 19178 7156 1 18 . 1 1 38 38 ASP C C 38 175.841 175.841 174.967 0.874 19178 7157 1 18 . 1 1 38 38 ASP CA C 38 53.983 53.983 54.010 -0.027 19178 7158 1 18 . 1 1 38 38 ASP CB C 38 40.263 40.263 40.602 -0.339 19178 7159 1 18 . 1 1 38 38 ASP H H 38 8.880 8.880 8.374 0.506 19178 7160 1 18 . 1 1 39 39 VAL N N 39 124.385 124.385 120.172 4.213 19178 7161 1 18 . 1 1 39 39 VAL HA H 39 3.944 3.944 3.900 0.044 19178 7162 1 18 . 1 1 39 39 VAL C C 39 173.731 173.731 174.564 -0.833 19178 7163 1 18 . 1 1 39 39 VAL CA C 39 63.514 63.514 61.136 2.378 19178 7164 1 18 . 1 1 39 39 VAL CB C 39 32.408 32.408 33.515 -1.107 19178 7165 1 18 . 1 1 39 39 VAL H H 39 8.253 8.253 7.251 1.002 19178 7166 1 18 . 1 1 40 40 ILE N N 40 128.130 128.130 123.229 4.901 19178 7167 1 18 . 1 1 40 40 ILE HA H 40 4.222 4.222 4.057 0.165 19178 7168 1 18 . 1 1 40 40 ILE C C 40 174.090 174.090 174.283 -0.193 19178 7169 1 18 . 1 1 40 40 ILE CA C 40 60.635 60.635 59.571 1.064 19178 7170 1 18 . 1 1 40 40 ILE CB C 40 38.281 38.281 40.177 -1.896 19178 7171 1 18 . 1 1 40 40 ILE H H 40 7.836 7.836 7.434 0.402 19178 7172 1 18 . 1 1 41 41 LEU N N 41 124.924 124.924 127.350 -2.426 19178 7173 1 18 . 1 1 41 41 LEU HA H 41 4.884 4.884 4.919 -0.035 19178 7174 1 18 . 1 1 41 41 LEU C C 41 175.989 175.989 175.481 0.508 19178 7175 1 18 . 1 1 41 41 LEU CA C 41 52.654 52.654 52.821 -0.167 19178 7176 1 18 . 1 1 41 41 LEU CB C 41 45.122 45.122 45.956 -0.834 19178 7177 1 18 . 1 1 41 41 LEU H H 41 8.836 8.836 8.652 0.184 19178 7178 1 18 . 1 1 42 42 ASP N N 42 119.247 119.247 122.145 -2.898 19178 7179 1 18 . 1 1 42 42 ASP HA H 42 4.858 4.858 4.627 0.231 19178 7180 1 18 . 1 1 42 42 ASP C C 42 176.128 176.128 175.625 0.503 19178 7181 1 18 . 1 1 42 42 ASP CA C 42 53.328 53.328 54.220 -0.892 19178 7182 1 18 . 1 1 42 42 ASP CB C 42 41.408 41.408 41.480 -0.072 19178 7183 1 18 . 1 1 42 42 ASP H H 42 8.725 8.725 8.584 0.141 19178 7184 1 18 . 1 1 43 43 SER N N 43 123.344 123.344 120.257 3.087 19178 7185 1 18 . 1 1 43 43 SER HA H 43 4.178 4.178 4.458 -0.280 19178 7186 1 18 . 1 1 43 43 SER C C 43 176.291 176.291 175.342 0.949 19178 7187 1 18 . 1 1 43 43 SER CA C 43 60.431 60.431 59.234 1.197 19178 7188 1 18 . 1 1 43 43 SER CB C 43 64.943 64.943 63.941 1.002 19178 7189 1 18 . 1 1 43 43 SER H H 43 8.462 8.462 8.596 -0.134 19178 7190 1 18 . 1 1 44 44 GLY N N 44 112.184 112.184 110.303 1.881 19178 7191 1 18 . 1 1 44 44 GLY C C 44 174.525 174.525 173.943 0.582 19178 7192 1 18 . 1 1 44 44 GLY CA C 44 45.368 45.368 45.134 0.234 19178 7193 1 18 . 1 1 44 44 GLY H H 44 9.230 9.230 8.824 0.406 19178 7194 1 18 . 1 1 45 45 ASN N N 45 119.774 119.774 117.558 2.216 19178 7195 1 18 . 1 1 45 45 ASN HA H 45 4.681 4.681 4.838 -0.157 19178 7196 1 18 . 1 1 45 45 ASN C C 45 174.866 174.866 174.811 0.055 19178 7197 1 18 . 1 1 45 45 ASN CA C 45 52.807 52.807 51.631 1.176 19178 7198 1 18 . 1 1 45 45 ASN CB C 45 39.241 39.241 39.848 -0.607 19178 7199 1 18 . 1 1 45 45 ASN H H 45 8.486 8.486 7.834 0.652 19178 7200 1 18 . 1 1 46 46 ASP N N 46 120.223 120.223 118.755 1.468 19178 7201 1 18 . 1 1 46 46 ASP HA H 46 4.367 4.367 4.508 -0.141 19178 7202 1 18 . 1 1 46 46 ASP C C 46 177.272 177.272 176.788 0.484 19178 7203 1 18 . 1 1 46 46 ASP CA C 46 54.869 54.869 55.026 -0.157 19178 7204 1 18 . 1 1 46 46 ASP CB C 46 42.461 42.461 40.903 1.558 19178 7205 1 18 . 1 1 46 46 ASP H H 46 8.387 8.387 8.516 -0.129 19178 7206 1 18 . 1 1 47 47 ALA N N 47 126.587 126.587 130.741 -4.154 19178 7207 1 18 . 1 1 47 47 ALA HA H 47 3.741 3.741 4.247 -0.506 19178 7208 1 18 . 1 1 47 47 ALA C C 47 177.980 177.980 178.682 -0.702 19178 7209 1 18 . 1 1 47 47 ALA CA C 47 53.866 53.866 54.297 -0.431 19178 7210 1 18 . 1 1 47 47 ALA CB C 47 16.554 16.554 19.242 -2.688 19178 7211 1 18 . 1 1 47 47 ALA H H 47 8.747 8.747 8.547 0.200 19178 7212 1 18 . 1 1 48 48 SER N N 48 115.463 115.463 114.634 0.829 19178 7213 1 18 . 1 1 48 48 SER HA H 48 4.203 4.203 4.453 -0.250 19178 7214 1 18 . 1 1 48 48 SER CA C 48 61.994 61.994 61.161 0.833 19178 7215 1 18 . 1 1 48 48 SER H H 48 8.973 8.973 8.403 0.570 19178 7216 1 18 . 1 1 49 49 SER C C 49 176.587 176.587 176.284 0.303 19178 7217 1 18 . 1 1 49 49 SER CA C 49 62.279 62.279 62.188 0.091 19178 7218 1 18 . 1 1 50 50 ALA N N 50 125.775 125.775 124.869 0.906 19178 7219 1 18 . 1 1 50 50 ALA HA H 50 4.076 4.076 4.355 -0.279 19178 7220 1 18 . 1 1 50 50 ALA C C 50 179.125 179.125 180.396 -1.271 19178 7221 1 18 . 1 1 50 50 ALA CA C 50 54.822 54.822 54.654 0.168 19178 7222 1 18 . 1 1 50 50 ALA CB C 50 18.834 18.834 18.354 0.480 19178 7223 1 18 . 1 1 50 50 ALA H H 50 7.620 7.620 7.601 0.019 19178 7224 1 18 . 1 1 51 51 TYR N N 51 117.562 117.562 118.432 -0.870 19178 7225 1 18 . 1 1 51 51 TYR HA H 51 4.275 4.275 4.246 0.029 19178 7226 1 18 . 1 1 51 51 TYR C C 51 179.622 179.622 178.309 1.313 19178 7227 1 18 . 1 1 51 51 TYR CA C 51 60.966 60.966 61.596 -0.630 19178 7228 1 18 . 1 1 51 51 TYR CB C 51 36.803 36.803 37.916 -1.113 19178 7229 1 18 . 1 1 51 51 TYR H H 51 7.397 7.397 8.373 -0.976 19178 7230 1 18 . 1 1 52 52 LYS N N 52 121.441 121.441 121.940 -0.499 19178 7231 1 18 . 1 1 52 52 LYS HA H 52 4.103 4.103 4.190 -0.087 19178 7232 1 18 . 1 1 52 52 LYS C C 52 179.041 179.041 179.008 0.033 19178 7233 1 18 . 1 1 52 52 LYS CA C 52 59.827 59.827 59.249 0.578 19178 7234 1 18 . 1 1 52 52 LYS H H 52 8.332 8.332 8.454 -0.122 19178 7235 1 18 . 1 1 53 53 LEU N N 53 122.286 122.286 119.612 2.674 19178 7236 1 18 . 1 1 53 53 LEU HA H 53 4.376 4.376 4.243 0.133 19178 7237 1 18 . 1 1 53 53 LEU C C 53 178.373 178.373 178.938 -0.565 19178 7238 1 18 . 1 1 53 53 LEU CA C 53 57.863 57.863 57.582 0.281 19178 7239 1 18 . 1 1 53 53 LEU CB C 53 41.288 41.288 41.228 0.060 19178 7240 1 18 . 1 1 53 53 LEU H H 53 7.671 7.671 8.297 -0.626 19178 7241 1 18 . 1 1 54 54 GLY N N 54 127.824 127.824 107.327 20.497 19178 7242 1 18 . 1 1 54 54 GLY C C 54 174.865 174.865 176.043 -1.178 19178 7243 1 18 . 1 1 54 54 GLY CA C 54 47.971 47.971 47.335 0.636 19178 7244 1 18 . 1 1 54 54 GLY H H 54 9.020 9.020 8.681 0.339 19178 7245 1 18 . 1 1 55 55 THR N N 55 117.961 117.961 116.645 1.316 19178 7246 1 18 . 1 1 55 55 THR HA H 55 4.445 4.445 4.207 0.238 19178 7247 1 18 . 1 1 55 55 THR C C 55 175.188 175.188 176.147 -0.959 19178 7248 1 18 . 1 1 55 55 THR CA C 55 67.593 67.593 66.684 0.909 19178 7249 1 18 . 1 1 55 55 THR H H 55 8.123 8.123 8.578 -0.455 19178 7250 1 18 . 1 1 56 56 TYR N N 56 122.294 122.294 123.622 -1.328 19178 7251 1 18 . 1 1 56 56 TYR HA H 56 4.346 4.346 4.184 0.162 19178 7252 1 18 . 1 1 56 56 TYR C C 56 177.909 177.909 176.696 1.213 19178 7253 1 18 . 1 1 56 56 TYR CA C 56 61.147 61.147 61.822 -0.675 19178 7254 1 18 . 1 1 56 56 TYR CB C 56 37.981 37.981 38.387 -0.406 19178 7255 1 18 . 1 1 56 56 TYR H H 56 7.697 7.697 8.139 -0.442 19178 7256 1 18 . 1 1 57 57 LEU N N 57 118.703 118.703 117.778 0.925 19178 7257 1 18 . 1 1 57 57 LEU HA H 57 3.914 3.914 4.054 -0.140 19178 7258 1 18 . 1 1 57 57 LEU C C 57 180.087 180.087 178.426 1.661 19178 7259 1 18 . 1 1 57 57 LEU CA C 57 57.780 57.780 56.952 0.828 19178 7260 1 18 . 1 1 57 57 LEU CB C 57 42.026 42.026 42.244 -0.218 19178 7261 1 18 . 1 1 57 57 LEU H H 57 8.909 8.909 7.793 1.116 19178 7262 1 18 . 1 1 58 58 TYR N N 58 120.667 120.667 116.699 3.968 19178 7263 1 18 . 1 1 58 58 TYR HA H 58 4.209 4.209 4.536 -0.327 19178 7264 1 18 . 1 1 58 58 TYR C C 58 177.511 177.511 175.772 1.739 19178 7265 1 18 . 1 1 58 58 TYR CA C 58 61.641 61.641 59.642 2.000 19178 7266 1 18 . 1 1 58 58 TYR H H 58 8.971 8.971 7.918 1.053 19178 7267 1 18 . 1 1 59 59 GLN N N 59 119.344 119.344 118.615 0.729 19178 7268 1 18 . 1 1 59 59 GLN HA H 59 4.668 4.668 4.587 0.081 19178 7269 1 18 . 1 1 59 59 GLN C C 59 179.270 179.270 175.933 3.337 19178 7270 1 18 . 1 1 59 59 GLN H H 59 8.378 8.378 8.092 0.286 19178 7271 1 18 . 1 1 67 67 PHE HA H 67 4.852 4.852 4.242 0.610 19178 7272 1 18 . 1 1 67 67 PHE C C 67 175.889 175.889 175.953 -0.064 19178 7273 1 18 . 1 1 67 67 PHE CA C 67 55.576 55.576 59.257 -3.681 19178 7274 1 18 . 1 1 67 67 PHE CB C 67 42.444 42.444 39.070 3.374 19178 7275 1 18 . 1 1 68 68 ASN N N 68 120.775 120.775 117.327 3.448 19178 7276 1 18 . 1 1 68 68 ASN C C 68 175.338 175.338 174.765 0.573 19178 7277 1 18 . 1 1 68 68 ASN CA C 68 55.092 55.092 53.219 1.873 19178 7278 1 18 . 1 1 68 68 ASN CB C 68 40.006 40.006 39.320 0.686 19178 7279 1 18 . 1 1 68 68 ASN H H 68 9.560 9.560 8.063 1.497 19178 7280 1 18 . 1 1 69 69 THR N N 69 127.914 127.914 118.789 9.125 19178 7281 1 18 . 1 1 69 69 THR HA H 69 4.732 4.732 4.344 0.388 19178 7282 1 18 . 1 1 69 69 THR C C 69 173.530 173.530 175.766 -2.236 19178 7283 1 18 . 1 1 69 69 THR CA C 69 58.877 58.877 62.655 -3.778 19178 7284 1 18 . 1 1 69 69 THR CB C 69 73.620 73.620 69.705 3.915 19178 7285 1 18 . 1 1 69 69 THR H H 69 7.237 7.237 8.515 -1.278 19178 7286 1 18 . 1 1 70 70 LEU N N 70 122.013 122.013 129.677 -7.664 19178 7287 1 18 . 1 1 70 70 LEU HA H 70 3.005 3.005 4.202 -1.197 19178 7288 1 18 . 1 1 70 70 LEU C C 70 178.252 178.252 177.779 0.473 19178 7289 1 18 . 1 1 70 70 LEU CA C 70 56.721 56.721 57.315 -0.593 19178 7290 1 18 . 1 1 70 70 LEU CB C 70 41.199 41.199 41.435 -0.236 19178 7291 1 18 . 1 1 70 70 LEU H H 70 8.614 8.614 8.886 -0.272 19178 7292 1 18 . 1 1 71 71 THR N N 71 114.041 114.041 115.189 -1.148 19178 7293 1 18 . 1 1 71 71 THR HA H 71 3.620 3.620 3.869 -0.249 19178 7294 1 18 . 1 1 71 71 THR C C 71 175.400 175.400 176.355 -0.955 19178 7295 1 18 . 1 1 71 71 THR CA C 71 66.405 66.405 67.784 -1.379 19178 7296 1 18 . 1 1 71 71 THR CB C 71 68.517 68.517 68.185 0.332 19178 7297 1 18 . 1 1 71 71 THR H H 71 7.694 7.694 8.176 -0.482 19178 7298 1 18 . 1 1 72 72 GLU N N 72 120.141 120.141 121.290 -1.149 19178 7299 1 18 . 1 1 72 72 GLU HA H 72 3.997 3.997 3.988 0.009 19178 7300 1 18 . 1 1 72 72 GLU C C 72 178.982 178.982 177.988 0.994 19178 7301 1 18 . 1 1 72 72 GLU CA C 72 59.250 59.250 59.133 0.117 19178 7302 1 18 . 1 1 72 72 GLU CB C 72 30.907 30.907 28.938 1.969 19178 7303 1 18 . 1 1 72 72 GLU H H 72 7.514 7.514 7.688 -0.174 19178 7304 1 18 . 1 1 73 73 ALA N N 73 123.400 123.400 122.856 0.544 19178 7305 1 18 . 1 1 73 73 ALA HA H 73 2.167 2.167 3.485 -1.318 19178 7306 1 18 . 1 1 73 73 ALA C C 73 178.959 178.959 179.327 -0.368 19178 7307 1 18 . 1 1 73 73 ALA CA C 73 54.323 54.323 54.827 -0.504 19178 7308 1 18 . 1 1 73 73 ALA CB C 73 17.561 17.561 17.942 -0.381 19178 7309 1 18 . 1 1 73 73 ALA H H 73 6.788 6.788 7.564 -0.776 19178 7310 1 18 . 1 1 74 74 ARG N N 74 116.272 116.272 118.941 -2.669 19178 7311 1 18 . 1 1 74 74 ARG HA H 74 3.887 3.887 4.123 -0.236 19178 7312 1 18 . 1 1 74 74 ARG C C 74 179.230 179.230 178.207 1.023 19178 7313 1 18 . 1 1 74 74 ARG CA C 74 60.442 60.442 59.608 0.834 19178 7314 1 18 . 1 1 74 74 ARG CB C 74 29.878 29.878 30.251 -0.373 19178 7315 1 18 . 1 1 74 74 ARG H H 74 8.145 8.145 8.226 -0.081 19178 7316 1 18 . 1 1 75 75 ASP N N 75 120.487 120.487 118.318 2.169 19178 7317 1 18 . 1 1 75 75 ASP HA H 75 4.446 4.446 4.482 -0.036 19178 7318 1 18 . 1 1 75 75 ASP C C 75 178.040 178.040 177.819 0.221 19178 7319 1 18 . 1 1 75 75 ASP CA C 75 57.166 57.166 56.959 0.207 19178 7320 1 18 . 1 1 75 75 ASP CB C 75 39.687 39.687 40.813 -1.126 19178 7321 1 18 . 1 1 75 75 ASP H H 75 8.594 8.594 8.288 0.306 19178 7322 1 18 . 1 1 76 76 ALA N N 76 122.773 122.773 122.603 0.170 19178 7323 1 18 . 1 1 76 76 ALA HA H 76 4.345 4.345 4.079 0.266 19178 7324 1 18 . 1 1 76 76 ALA C C 76 181.221 181.221 179.657 1.564 19178 7325 1 18 . 1 1 76 76 ALA CA C 76 55.245 55.245 55.017 0.228 19178 7326 1 18 . 1 1 76 76 ALA CB C 76 18.316 18.316 18.539 -0.223 19178 7327 1 18 . 1 1 76 76 ALA H H 76 7.668 7.668 7.721 -0.053 19178 7328 1 18 . 1 1 77 77 ILE N N 77 120.254 120.254 118.949 1.305 19178 7329 1 18 . 1 1 77 77 ILE HA H 77 3.632 3.632 3.646 -0.014 19178 7330 1 18 . 1 1 77 77 ILE C C 77 176.567 176.567 177.722 -1.155 19178 7331 1 18 . 1 1 77 77 ILE CA C 77 66.365 66.365 64.912 1.453 19178 7332 1 18 . 1 1 77 77 ILE CB C 77 37.947 37.947 37.656 0.291 19178 7333 1 18 . 1 1 77 77 ILE H H 77 7.724 7.724 8.351 -0.627 19178 7334 1 18 . 1 1 78 78 LYS N N 78 122.773 122.773 119.989 2.784 19178 7335 1 18 . 1 1 78 78 LYS HA H 78 4.265 4.265 3.935 0.330 19178 7336 1 18 . 1 1 78 78 LYS C C 78 178.382 178.382 178.651 -0.269 19178 7337 1 18 . 1 1 78 78 LYS CA C 78 60.442 60.442 59.671 0.771 19178 7338 1 18 . 1 1 78 78 LYS CB C 78 33.021 33.021 31.740 1.281 19178 7339 1 18 . 1 1 78 78 LYS H H 78 8.465 8.465 8.298 0.167 19178 7340 1 18 . 1 1 79 79 ASP N N 79 118.165 118.165 121.418 -3.253 19178 7341 1 18 . 1 1 79 79 ASP HA H 79 4.353 4.353 4.504 -0.151 19178 7342 1 18 . 1 1 79 79 ASP C C 79 179.289 179.289 178.527 0.762 19178 7343 1 18 . 1 1 79 79 ASP CA C 79 57.245 57.245 57.469 -0.224 19178 7344 1 18 . 1 1 79 79 ASP H H 79 8.541 8.541 8.402 0.139 19178 7345 1 18 . 1 1 80 80 ALA N N 80 122.362 122.362 122.709 -0.347 19178 7346 1 18 . 1 1 80 80 ALA HA H 80 4.340 4.340 4.300 0.040 19178 7347 1 18 . 1 1 80 80 ALA C C 80 179.265 179.265 180.298 -1.033 19178 7348 1 18 . 1 1 80 80 ALA CA C 80 54.979 54.979 55.124 -0.145 19178 7349 1 18 . 1 1 80 80 ALA CB C 80 18.254 18.254 18.632 -0.378 19178 7350 1 18 . 1 1 80 80 ALA H H 80 7.727 7.727 8.040 -0.313 19178 7351 1 18 . 1 1 81 81 TYR N N 81 118.882 118.882 118.800 0.082 19178 7352 1 18 . 1 1 81 81 TYR HA H 81 4.115 4.115 4.225 -0.110 19178 7353 1 18 . 1 1 81 81 TYR C C 81 178.146 178.146 178.451 -0.305 19178 7354 1 18 . 1 1 81 81 TYR CA C 81 61.635 61.635 59.924 1.711 19178 7355 1 18 . 1 1 81 81 TYR CB C 81 38.115 38.115 38.009 0.106 19178 7356 1 18 . 1 1 81 81 TYR H H 81 9.037 9.037 8.826 0.211 19178 7357 1 18 . 1 1 82 82 GLU N N 82 116.630 116.630 118.146 -1.516 19178 7358 1 18 . 1 1 82 82 GLU HA H 82 3.816 3.816 4.113 -0.297 19178 7359 1 18 . 1 1 82 82 GLU C C 82 178.664 178.664 178.122 0.542 19178 7360 1 18 . 1 1 82 82 GLU CA C 82 59.304 59.304 58.795 0.509 19178 7361 1 18 . 1 1 82 82 GLU CB C 82 28.848 28.848 29.726 -0.878 19178 7362 1 18 . 1 1 82 82 GLU H H 82 8.854 8.854 8.325 0.529 19178 7363 1 18 . 1 1 83 83 SER N N 83 114.004 114.004 115.176 -1.172 19178 7364 1 18 . 1 1 83 83 SER HA H 83 4.164 4.164 4.249 -0.085 19178 7365 1 18 . 1 1 83 83 SER C C 83 174.387 174.387 175.975 -1.588 19178 7366 1 18 . 1 1 83 83 SER CA C 83 61.038 61.038 61.146 -0.108 19178 7367 1 18 . 1 1 83 83 SER CB C 83 63.152 63.152 63.660 -0.508 19178 7368 1 18 . 1 1 83 83 SER H H 83 7.573 7.573 8.328 -0.755 19178 7369 1 18 . 1 1 84 84 TYR N N 84 117.323 117.323 118.642 -1.319 19178 7370 1 18 . 1 1 84 84 TYR HA H 84 4.595 4.595 4.557 0.038 19178 7371 1 18 . 1 1 84 84 TYR C C 84 174.434 174.434 175.636 -1.202 19178 7372 1 18 . 1 1 84 84 TYR CA C 84 58.871 58.871 58.985 -0.114 19178 7373 1 18 . 1 1 84 84 TYR CB C 84 41.746 41.746 39.770 1.976 19178 7374 1 18 . 1 1 84 84 TYR H H 84 7.319 7.319 7.941 -0.622 19178 7375 1 18 . 1 1 85 85 CYS N N 85 118.762 118.762 118.744 0.018 19178 7376 1 18 . 1 1 85 85 CYS HA H 85 3.940 3.940 4.024 -0.084 19178 7377 1 18 . 1 1 85 85 CYS C C 85 176.178 176.178 176.199 -0.021 19178 7378 1 18 . 1 1 85 85 CYS CA C 85 58.817 58.817 61.660 -2.843 19178 7379 1 18 . 1 1 85 85 CYS CB C 85 26.042 26.042 28.395 -2.353 19178 7380 1 18 . 1 1 85 85 CYS H H 85 7.670 7.670 8.034 -0.364 19178 7381 1 18 . 1 1 86 86 GLY N N 86 113.730 113.730 114.716 -0.986 19178 7382 1 18 . 1 1 86 86 GLY C C 86 174.587 174.587 173.449 1.138 19178 7383 1 18 . 1 1 86 86 GLY CA C 86 45.214 45.214 44.899 0.315 19178 7384 1 18 . 1 1 86 86 GLY H H 86 10.799 10.799 8.689 2.110 19178 7385 1 18 . 1 1 87 87 ILE N N 87 122.743 122.743 118.229 4.514 19178 7386 1 18 . 1 1 87 87 ILE HA H 87 4.291 4.291 4.649 -0.358 19178 7387 1 18 . 1 1 87 87 ILE C C 87 174.340 174.340 173.996 0.344 19178 7388 1 18 . 1 1 87 87 ILE CA C 87 60.968 60.968 59.327 1.641 19178 7389 1 18 . 1 1 87 87 ILE CB C 87 35.512 35.512 38.737 -3.225 19178 7390 1 18 . 1 1 87 87 ILE H H 87 8.023 8.023 8.427 -0.404 19178 7391 1 18 . 1 1 88 88 ASP N N 88 125.059 125.059 124.997 0.062 19178 7392 1 18 . 1 1 88 88 ASP HA H 88 4.750 4.750 4.818 -0.068 19178 7393 1 18 . 1 1 88 88 ASP C C 88 175.895 175.895 175.586 0.309 19178 7394 1 18 . 1 1 88 88 ASP CA C 88 54.319 54.319 53.925 0.394 19178 7395 1 18 . 1 1 88 88 ASP CB C 88 41.692 41.692 41.585 0.107 19178 7396 1 18 . 1 1 88 88 ASP H H 88 8.127 8.127 8.815 -0.688 19178 7397 1 18 . 1 1 89 89 ASP N N 89 117.971 117.971 118.915 -0.944 19178 7398 1 18 . 1 1 89 89 ASP HA H 89 4.822 4.822 4.564 0.258 19178 7399 1 18 . 1 1 89 89 ASP C C 89 174.069 174.069 174.896 -0.827 19178 7400 1 18 . 1 1 89 89 ASP CA C 89 52.369 52.369 52.661 -0.292 19178 7401 1 18 . 1 1 89 89 ASP CB C 89 43.625 43.625 43.214 0.411 19178 7402 1 18 . 1 1 89 89 ASP H H 89 7.617 7.617 7.674 -0.057 19178 7403 1 18 . 1 1 90 90 CYS N N 90 126.238 126.238 123.803 2.435 19178 7404 1 18 . 1 1 90 90 CYS C C 90 175.636 175.636 175.099 0.537 19178 7405 1 18 . 1 1 90 90 CYS CA C 90 56.215 56.215 57.302 -1.087 19178 7406 1 18 . 1 1 90 90 CYS H H 90 8.936 8.936 8.561 0.375 19178 7407 1 18 . 1 1 91 91 PRO HA H 91 4.460 4.460 4.279 0.181 19178 7408 1 18 . 1 1 91 91 PRO C C 91 178.629 178.629 178.056 0.573 19178 7409 1 18 . 1 1 91 91 PRO CA C 91 64.614 64.614 64.951 -0.337 19178 7410 1 18 . 1 1 91 91 PRO CB C 91 32.208 32.208 32.186 0.022 19178 7411 1 18 . 1 1 92 92 GLN N N 92 119.363 119.363 116.893 2.470 19178 7412 1 18 . 1 1 92 92 GLN HA H 92 4.060 4.060 4.104 -0.044 19178 7413 1 18 . 1 1 92 92 GLN C C 92 178.181 178.181 178.216 -0.035 19178 7414 1 18 . 1 1 92 92 GLN CA C 92 57.837 57.837 58.783 -0.946 19178 7415 1 18 . 1 1 92 92 GLN CB C 92 28.252 28.252 27.182 1.070 19178 7416 1 18 . 1 1 92 92 GLN H H 92 8.253 8.253 8.809 -0.556 19178 7417 1 18 . 1 1 93 93 CYS N N 93 124.725 124.725 117.246 7.479 19178 7418 1 18 . 1 1 93 93 CYS HA H 93 4.269 4.269 4.784 -0.515 19178 7419 1 18 . 1 1 93 93 CYS C C 93 177.180 177.180 176.307 0.873 19178 7420 1 18 . 1 1 93 93 CYS CA C 93 64.366 64.366 61.077 3.289 19178 7421 1 18 . 1 1 93 93 CYS CB C 93 30.379 30.379 26.429 3.950 19178 7422 1 18 . 1 1 93 93 CYS H H 93 8.581 8.581 7.977 0.604 19178 7423 1 18 . 1 1 94 94 SER N N 94 113.467 113.467 113.706 -0.239 19178 7424 1 18 . 1 1 94 94 SER HA H 94 4.277 4.277 4.455 -0.178 19178 7425 1 18 . 1 1 94 94 SER C C 94 174.481 174.481 175.333 -0.852 19178 7426 1 18 . 1 1 94 94 SER CA C 94 59.432 59.432 60.593 -1.161 19178 7427 1 18 . 1 1 94 94 SER CB C 94 63.217 63.217 63.030 0.187 19178 7428 1 18 . 1 1 94 94 SER H H 94 7.753 7.753 7.874 -0.121 19178 7429 1 18 . 1 1 95 95 LYS N N 95 121.369 121.369 119.596 1.773 19178 7430 1 18 . 1 1 95 95 LYS HA H 95 4.211 4.211 4.419 -0.208 19178 7431 1 18 . 1 1 95 95 LYS C C 95 176.237 176.237 175.475 0.762 19178 7432 1 18 . 1 1 95 95 LYS CA C 95 56.622 56.622 56.581 0.041 19178 7433 1 18 . 1 1 95 95 LYS CB C 95 32.756 32.756 34.169 -1.413 19178 7434 1 18 . 1 1 95 95 LYS H H 95 7.520 7.520 7.861 -0.341 19178 7435 1 18 . 1 1 96 96 TYR N N 96 121.000 121.000 118.135 2.865 19178 7436 1 18 . 1 1 96 96 TYR HA H 96 4.559 4.559 4.607 -0.048 19178 7437 1 18 . 1 1 96 96 TYR C C 96 175.577 175.577 173.389 2.188 19178 7438 1 18 . 1 1 96 96 TYR CA C 96 58.039 58.039 56.942 1.097 19178 7439 1 18 . 1 1 96 96 TYR CB C 96 38.694 38.694 42.172 -3.478 19178 7440 1 18 . 1 1 96 96 TYR H H 96 8.005 8.005 7.887 0.118 19178 7441 1 18 . 1 1 97 97 ILE N N 97 123.003 123.003 123.566 -0.563 19178 7442 1 18 . 1 1 97 97 ILE HA H 97 4.120 4.120 4.369 -0.249 19178 7443 1 18 . 1 1 97 97 ILE C C 97 175.194 175.194 173.741 1.453 19178 7444 1 18 . 1 1 97 97 ILE CA C 97 60.929 60.929 60.110 0.819 19178 7445 1 18 . 1 1 97 97 ILE CB C 97 39.044 39.044 40.709 -1.665 19178 7446 1 18 . 1 1 97 97 ILE H H 97 7.832 7.832 7.650 0.182 19178 7447 1 18 . 1 1 98 98 ASP N N 98 125.070 125.070 128.775 -3.705 19178 7448 1 18 . 1 1 98 98 ASP HA H 98 4.627 4.627 4.698 -0.071 19178 7449 1 18 . 1 1 98 98 ASP C C 98 174.976 174.976 176.122 -1.146 19178 7450 1 18 . 1 1 98 98 ASP CA C 98 54.184 54.184 53.361 0.822 19178 7451 1 18 . 1 1 98 98 ASP CB C 98 41.502 41.502 40.591 0.911 19178 7452 1 18 . 1 1 98 98 ASP H H 98 8.245 8.245 8.540 -0.295 19178 7453 1 19 . 1 1 16 16 GLN HA H 16 4.330 4.330 4.257 0.073 19178 7454 1 19 . 1 1 17 17 GLU N N 17 119.126 119.126 118.070 1.056 19178 7455 1 19 . 1 1 17 17 GLU HA H 17 4.329 4.329 4.151 0.178 19178 7456 1 19 . 1 1 17 17 GLU H H 17 8.422 8.422 8.666 -0.244 19178 7457 1 19 . 1 1 18 18 GLN N N 18 120.450 120.450 119.689 0.761 19178 7458 1 19 . 1 1 18 18 GLN HA H 18 4.081 4.081 4.202 -0.121 19178 7459 1 19 . 1 1 18 18 GLN H H 18 8.729 8.729 7.755 0.974 19178 7460 1 19 . 1 1 19 19 TRP N N 19 121.902 121.902 121.426 0.476 19178 7461 1 19 . 1 1 19 19 TRP HA H 19 4.125 4.125 4.364 -0.239 19178 7462 1 19 . 1 1 19 19 TRP C C 19 179.400 179.400 177.684 1.716 19178 7463 1 19 . 1 1 19 19 TRP CA C 19 62.361 62.361 60.299 2.062 19178 7464 1 19 . 1 1 19 19 TRP CB C 19 29.938 29.938 28.532 1.406 19178 7465 1 19 . 1 1 19 19 TRP H H 19 8.561 8.561 7.682 0.879 19178 7466 1 19 . 1 1 20 20 ALA N N 20 122.759 122.759 122.750 0.009 19178 7467 1 19 . 1 1 20 20 ALA HA H 20 3.815 3.815 3.329 0.486 19178 7468 1 19 . 1 1 20 20 ALA C C 20 180.433 180.433 178.804 1.629 19178 7469 1 19 . 1 1 20 20 ALA CA C 20 55.619 55.619 54.463 1.156 19178 7470 1 19 . 1 1 20 20 ALA CB C 20 18.474 18.474 17.583 0.891 19178 7471 1 19 . 1 1 20 20 ALA H H 20 8.828 8.828 7.791 1.037 19178 7472 1 19 . 1 1 21 21 MET N N 21 117.474 117.474 117.286 0.188 19178 7473 1 19 . 1 1 21 21 MET HA H 21 4.479 4.479 4.003 0.476 19178 7474 1 19 . 1 1 21 21 MET C C 21 178.744 178.744 177.882 0.862 19178 7475 1 19 . 1 1 21 21 MET CA C 21 56.778 56.778 58.086 -1.308 19178 7476 1 19 . 1 1 21 21 MET CB C 21 29.956 29.956 32.182 -2.226 19178 7477 1 19 . 1 1 21 21 MET H H 21 8.702 8.702 8.113 0.589 19178 7478 1 19 . 1 1 22 22 GLN N N 22 119.738 119.738 119.952 -0.214 19178 7479 1 19 . 1 1 22 22 GLN HA H 22 4.025 4.025 3.885 0.140 19178 7480 1 19 . 1 1 22 22 GLN C C 22 180.104 180.104 177.751 2.353 19178 7481 1 19 . 1 1 22 22 GLN CA C 22 58.872 58.872 59.606 -0.734 19178 7482 1 19 . 1 1 22 22 GLN CB C 22 27.880 27.880 28.306 -0.426 19178 7483 1 19 . 1 1 22 22 GLN H H 22 8.531 8.531 8.284 0.247 19178 7484 1 19 . 1 1 23 23 THR N N 23 117.049 117.049 116.265 0.784 19178 7485 1 19 . 1 1 23 23 THR HA H 23 3.715 3.715 4.002 -0.287 19178 7486 1 19 . 1 1 23 23 THR C C 23 177.477 177.477 176.457 1.020 19178 7487 1 19 . 1 1 23 23 THR CA C 23 66.380 66.380 65.166 1.214 19178 7488 1 19 . 1 1 23 23 THR CB C 23 67.579 67.579 68.169 -0.590 19178 7489 1 19 . 1 1 23 23 THR H H 23 7.752 7.752 7.755 -0.003 19178 7490 1 19 . 1 1 24 24 LEU N N 24 125.735 125.735 122.333 3.402 19178 7491 1 19 . 1 1 24 24 LEU HA H 24 3.731 3.731 3.895 -0.164 19178 7492 1 19 . 1 1 24 24 LEU C C 24 178.544 178.544 179.401 -0.857 19178 7493 1 19 . 1 1 24 24 LEU CA C 24 58.882 58.882 58.230 0.652 19178 7494 1 19 . 1 1 24 24 LEU CB C 24 41.550 41.550 41.838 -0.288 19178 7495 1 19 . 1 1 24 24 LEU H H 24 7.886 7.886 7.336 0.550 19178 7496 1 19 . 1 1 25 25 MET N N 25 118.622 118.622 116.865 1.757 19178 7497 1 19 . 1 1 25 25 MET HA H 25 4.717 4.717 4.515 0.202 19178 7498 1 19 . 1 1 25 25 MET C C 25 181.465 181.465 178.248 3.217 19178 7499 1 19 . 1 1 25 25 MET CA C 25 55.604 55.604 58.285 -2.681 19178 7500 1 19 . 1 1 25 25 MET CB C 25 32.071 32.071 32.863 -0.792 19178 7501 1 19 . 1 1 25 25 MET H H 25 8.619 8.619 8.479 0.140 19178 7502 1 19 . 1 1 26 26 GLY N N 26 110.755 110.755 107.640 3.115 19178 7503 1 19 . 1 1 26 26 GLY C C 26 174.662 174.662 175.914 -1.252 19178 7504 1 19 . 1 1 26 26 GLY CA C 26 46.788 46.788 46.194 0.594 19178 7505 1 19 . 1 1 26 26 GLY H H 26 8.953 8.953 8.025 0.928 19178 7506 1 19 . 1 1 27 27 SER N N 27 109.977 109.977 115.819 -5.842 19178 7507 1 19 . 1 1 27 27 SER HA H 27 4.422 4.422 4.322 0.100 19178 7508 1 19 . 1 1 27 27 SER C C 27 175.612 175.612 175.276 0.336 19178 7509 1 19 . 1 1 27 27 SER CA C 27 58.309 58.309 58.942 -0.633 19178 7510 1 19 . 1 1 27 27 SER CB C 27 64.423 64.423 63.470 0.953 19178 7511 1 19 . 1 1 27 27 SER H H 27 7.335 7.335 7.731 -0.396 19178 7512 1 19 . 1 1 28 28 GLY N N 28 110.105 110.105 107.984 2.121 19178 7513 1 19 . 1 1 28 28 GLY C C 28 174.029 174.029 174.731 -0.702 19178 7514 1 19 . 1 1 28 28 GLY CA C 28 45.371 45.371 45.375 -0.004 19178 7515 1 19 . 1 1 28 28 GLY H H 28 7.536 7.536 7.880 -0.344 19178 7516 1 19 . 1 1 29 29 VAL N N 29 121.444 121.444 119.411 2.033 19178 7517 1 19 . 1 1 29 29 VAL HA H 29 4.720 4.720 3.886 0.834 19178 7518 1 19 . 1 1 29 29 VAL C C 29 177.149 177.149 175.976 1.173 19178 7519 1 19 . 1 1 29 29 VAL CA C 29 66.474 66.474 64.814 1.659 19178 7520 1 19 . 1 1 29 29 VAL CB C 29 32.694 32.694 32.202 0.492 19178 7521 1 19 . 1 1 29 29 VAL H H 29 7.738 7.738 7.566 0.172 19178 7522 1 19 . 1 1 30 30 LEU N N 30 115.594 115.594 116.235 -0.641 19178 7523 1 19 . 1 1 30 30 LEU HA H 30 5.349 5.349 4.333 1.016 19178 7524 1 19 . 1 1 30 30 LEU C C 30 174.427 174.427 174.665 -0.238 19178 7525 1 19 . 1 1 30 30 LEU CA C 30 52.231 52.231 53.405 -1.174 19178 7526 1 19 . 1 1 30 30 LEU CB C 30 43.525 43.525 44.501 -0.976 19178 7527 1 19 . 1 1 30 30 LEU H H 30 7.090 7.090 7.251 -0.161 19178 7528 1 19 . 1 1 31 31 ALA N N 31 122.020 122.020 120.826 1.194 19178 7529 1 19 . 1 1 31 31 ALA HA H 31 4.539 4.539 4.731 -0.192 19178 7530 1 19 . 1 1 31 31 ALA C C 31 175.130 175.130 175.172 -0.042 19178 7531 1 19 . 1 1 31 31 ALA CA C 31 50.963 50.963 51.020 -0.057 19178 7532 1 19 . 1 1 31 31 ALA CB C 31 22.314 22.314 21.579 0.735 19178 7533 1 19 . 1 1 31 31 ALA H H 31 8.981 8.981 8.729 0.252 19178 7534 1 19 . 1 1 32 32 ARG N N 32 118.606 118.606 120.037 -1.431 19178 7535 1 19 . 1 1 32 32 ARG HA H 32 5.342 5.342 4.562 0.780 19178 7536 1 19 . 1 1 32 32 ARG C C 32 178.051 178.051 175.231 2.820 19178 7537 1 19 . 1 1 32 32 ARG CA C 32 54.543 54.543 54.243 0.300 19178 7538 1 19 . 1 1 32 32 ARG CB C 32 31.485 31.485 32.186 -0.701 19178 7539 1 19 . 1 1 32 32 ARG H H 32 8.223 8.223 8.104 0.119 19178 7540 1 19 . 1 1 33 33 CYS N N 33 125.750 125.750 122.644 3.106 19178 7541 1 19 . 1 1 33 33 CYS HA H 33 4.117 4.117 4.544 -0.427 19178 7542 1 19 . 1 1 33 33 CYS C C 33 175.978 175.978 177.092 -1.114 19178 7543 1 19 . 1 1 33 33 CYS CA C 33 60.620 60.620 58.870 1.750 19178 7544 1 19 . 1 1 33 33 CYS CB C 33 27.213 27.213 29.433 -2.220 19178 7545 1 19 . 1 1 33 33 CYS H H 33 8.314 8.314 8.532 -0.218 19178 7546 1 19 . 1 1 34 34 ARG N N 34 128.053 128.053 127.510 0.543 19178 7547 1 19 . 1 1 34 34 ARG HA H 34 3.926 3.926 4.024 -0.098 19178 7548 1 19 . 1 1 34 34 ARG C C 34 176.565 176.565 175.949 0.616 19178 7549 1 19 . 1 1 34 34 ARG CA C 34 58.719 58.719 58.478 0.241 19178 7550 1 19 . 1 1 34 34 ARG CB C 34 30.159 30.159 29.429 0.730 19178 7551 1 19 . 1 1 34 34 ARG H H 34 8.578 8.578 8.589 -0.011 19178 7552 1 19 . 1 1 35 35 ILE N N 35 122.502 122.502 116.207 6.295 19178 7553 1 19 . 1 1 35 35 ILE HA H 35 3.843 3.843 3.996 -0.153 19178 7554 1 19 . 1 1 35 35 ILE C C 35 176.028 176.028 174.667 1.361 19178 7555 1 19 . 1 1 35 35 ILE CA C 35 62.035 62.035 60.327 1.708 19178 7556 1 19 . 1 1 35 35 ILE CB C 35 39.125 39.125 38.894 0.231 19178 7557 1 19 . 1 1 35 35 ILE H H 35 8.932 8.932 7.128 1.804 19178 7558 1 19 . 1 1 36 36 HIS N N 36 121.974 121.974 120.177 1.797 19178 7559 1 19 . 1 1 36 36 HIS HA H 36 4.569 4.569 4.810 -0.241 19178 7560 1 19 . 1 1 36 36 HIS CB C 36 31.187 31.187 29.771 1.416 19178 7561 1 19 . 1 1 36 36 HIS H H 36 8.078 8.078 7.648 0.430 19178 7562 1 19 . 1 1 37 37 ASN N N 37 119.433 119.433 120.514 -1.081 19178 7563 1 19 . 1 1 37 37 ASN HA H 37 4.399 4.399 4.710 -0.311 19178 7564 1 19 . 1 1 37 37 ASN C C 37 173.906 173.906 175.656 -1.750 19178 7565 1 19 . 1 1 37 37 ASN CA C 37 56.407 56.407 54.559 1.848 19178 7566 1 19 . 1 1 37 37 ASN CB C 37 39.331 39.331 39.271 0.060 19178 7567 1 19 . 1 1 37 37 ASN H H 37 8.386 8.386 8.605 -0.219 19178 7568 1 19 . 1 1 38 38 ASP N N 38 112.673 112.673 119.720 -7.047 19178 7569 1 19 . 1 1 38 38 ASP HA H 38 4.385 4.385 4.622 -0.237 19178 7570 1 19 . 1 1 38 38 ASP C C 38 175.841 175.841 175.678 0.163 19178 7571 1 19 . 1 1 38 38 ASP CA C 38 53.983 53.983 54.670 -0.687 19178 7572 1 19 . 1 1 38 38 ASP CB C 38 40.263 40.263 40.865 -0.602 19178 7573 1 19 . 1 1 38 38 ASP H H 38 8.880 8.880 8.547 0.333 19178 7574 1 19 . 1 1 39 39 VAL N N 39 124.385 124.385 118.816 5.569 19178 7575 1 19 . 1 1 39 39 VAL HA H 39 3.944 3.944 4.005 -0.061 19178 7576 1 19 . 1 1 39 39 VAL C C 39 173.731 173.731 175.389 -1.658 19178 7577 1 19 . 1 1 39 39 VAL CA C 39 63.514 63.514 62.119 1.395 19178 7578 1 19 . 1 1 39 39 VAL CB C 39 32.408 32.408 33.305 -0.897 19178 7579 1 19 . 1 1 39 39 VAL H H 39 8.253 8.253 7.774 0.479 19178 7580 1 19 . 1 1 40 40 ILE N N 40 128.130 128.130 123.324 4.806 19178 7581 1 19 . 1 1 40 40 ILE HA H 40 4.222 4.222 4.121 0.101 19178 7582 1 19 . 1 1 40 40 ILE C C 40 174.090 174.090 173.805 0.285 19178 7583 1 19 . 1 1 40 40 ILE CA C 40 60.635 60.635 58.655 1.980 19178 7584 1 19 . 1 1 40 40 ILE CB C 40 38.281 38.281 39.917 -1.636 19178 7585 1 19 . 1 1 40 40 ILE H H 40 7.836 7.836 7.504 0.332 19178 7586 1 19 . 1 1 41 41 LEU N N 41 124.924 124.924 127.289 -2.365 19178 7587 1 19 . 1 1 41 41 LEU HA H 41 4.884 4.884 4.899 -0.015 19178 7588 1 19 . 1 1 41 41 LEU C C 41 175.989 175.989 175.238 0.751 19178 7589 1 19 . 1 1 41 41 LEU CA C 41 52.654 52.654 53.088 -0.434 19178 7590 1 19 . 1 1 41 41 LEU CB C 41 45.122 45.122 45.283 -0.161 19178 7591 1 19 . 1 1 41 41 LEU H H 41 8.836 8.836 8.668 0.168 19178 7592 1 19 . 1 1 42 42 ASP N N 42 119.247 119.247 123.127 -3.880 19178 7593 1 19 . 1 1 42 42 ASP HA H 42 4.858 4.858 4.439 0.419 19178 7594 1 19 . 1 1 42 42 ASP C C 42 176.128 176.128 175.453 0.675 19178 7595 1 19 . 1 1 42 42 ASP CA C 42 53.328 53.328 54.767 -1.439 19178 7596 1 19 . 1 1 42 42 ASP CB C 42 41.408 41.408 41.869 -0.461 19178 7597 1 19 . 1 1 42 42 ASP H H 42 8.725 8.725 8.589 0.136 19178 7598 1 19 . 1 1 43 43 SER N N 43 123.344 123.344 120.463 2.881 19178 7599 1 19 . 1 1 43 43 SER HA H 43 4.178 4.178 4.514 -0.336 19178 7600 1 19 . 1 1 43 43 SER C C 43 176.291 176.291 174.841 1.450 19178 7601 1 19 . 1 1 43 43 SER CA C 43 60.431 60.431 58.689 1.742 19178 7602 1 19 . 1 1 43 43 SER CB C 43 64.943 64.943 63.617 1.326 19178 7603 1 19 . 1 1 43 43 SER H H 43 8.462 8.462 8.600 -0.138 19178 7604 1 19 . 1 1 44 44 GLY N N 44 112.184 112.184 108.667 3.517 19178 7605 1 19 . 1 1 44 44 GLY C C 44 174.525 174.525 174.337 0.188 19178 7606 1 19 . 1 1 44 44 GLY CA C 44 45.368 45.368 45.027 0.341 19178 7607 1 19 . 1 1 44 44 GLY H H 44 9.230 9.230 8.602 0.628 19178 7608 1 19 . 1 1 45 45 ASN N N 45 119.774 119.774 118.133 1.641 19178 7609 1 19 . 1 1 45 45 ASN HA H 45 4.681 4.681 4.857 -0.176 19178 7610 1 19 . 1 1 45 45 ASN C C 45 174.866 174.866 173.856 1.010 19178 7611 1 19 . 1 1 45 45 ASN CA C 45 52.807 52.807 52.227 0.580 19178 7612 1 19 . 1 1 45 45 ASN CB C 45 39.241 39.241 40.285 -1.044 19178 7613 1 19 . 1 1 45 45 ASN H H 45 8.486 8.486 8.027 0.459 19178 7614 1 19 . 1 1 46 46 ASP N N 46 120.223 120.223 118.525 1.698 19178 7615 1 19 . 1 1 46 46 ASP HA H 46 4.367 4.367 4.421 -0.054 19178 7616 1 19 . 1 1 46 46 ASP C C 46 177.272 177.272 176.419 0.853 19178 7617 1 19 . 1 1 46 46 ASP CA C 46 54.869 54.869 54.544 0.326 19178 7618 1 19 . 1 1 46 46 ASP CB C 46 42.461 42.461 40.379 2.082 19178 7619 1 19 . 1 1 46 46 ASP H H 46 8.387 8.387 8.513 -0.126 19178 7620 1 19 . 1 1 47 47 ALA N N 47 126.587 126.587 128.492 -1.905 19178 7621 1 19 . 1 1 47 47 ALA HA H 47 3.741 3.741 3.985 -0.244 19178 7622 1 19 . 1 1 47 47 ALA C C 47 177.980 177.980 177.719 0.261 19178 7623 1 19 . 1 1 47 47 ALA CA C 47 53.866 53.866 53.371 0.495 19178 7624 1 19 . 1 1 47 47 ALA CB C 47 16.554 16.554 18.198 -1.644 19178 7625 1 19 . 1 1 47 47 ALA H H 47 8.747 8.747 8.497 0.250 19178 7626 1 19 . 1 1 48 48 SER N N 48 115.463 115.463 115.205 0.258 19178 7627 1 19 . 1 1 48 48 SER HA H 48 4.203 4.203 3.968 0.235 19178 7628 1 19 . 1 1 48 48 SER CA C 48 61.994 61.994 61.404 0.590 19178 7629 1 19 . 1 1 48 48 SER H H 48 8.973 8.973 8.212 0.761 19178 7630 1 19 . 1 1 49 49 SER C C 49 176.587 176.587 175.999 0.588 19178 7631 1 19 . 1 1 49 49 SER CA C 49 62.279 62.279 61.517 0.762 19178 7632 1 19 . 1 1 50 50 ALA N N 50 125.775 125.775 124.507 1.268 19178 7633 1 19 . 1 1 50 50 ALA HA H 50 4.076 4.076 4.465 -0.389 19178 7634 1 19 . 1 1 50 50 ALA C C 50 179.125 179.125 180.740 -1.615 19178 7635 1 19 . 1 1 50 50 ALA CA C 50 54.822 54.822 54.606 0.215 19178 7636 1 19 . 1 1 50 50 ALA CB C 50 18.834 18.834 18.444 0.390 19178 7637 1 19 . 1 1 50 50 ALA H H 50 7.620 7.620 7.432 0.188 19178 7638 1 19 . 1 1 51 51 TYR N N 51 117.562 117.562 118.930 -1.368 19178 7639 1 19 . 1 1 51 51 TYR HA H 51 4.275 4.275 4.260 0.015 19178 7640 1 19 . 1 1 51 51 TYR C C 51 179.622 179.622 178.307 1.315 19178 7641 1 19 . 1 1 51 51 TYR CA C 51 60.966 60.966 58.918 2.048 19178 7642 1 19 . 1 1 51 51 TYR CB C 51 36.803 36.803 37.684 -0.881 19178 7643 1 19 . 1 1 51 51 TYR H H 51 7.397 7.397 8.637 -1.240 19178 7644 1 19 . 1 1 52 52 LYS N N 52 121.441 121.441 120.845 0.596 19178 7645 1 19 . 1 1 52 52 LYS HA H 52 4.103 4.103 4.134 -0.031 19178 7646 1 19 . 1 1 52 52 LYS C C 52 179.041 179.041 179.279 -0.238 19178 7647 1 19 . 1 1 52 52 LYS CA C 52 59.827 59.827 59.707 0.120 19178 7648 1 19 . 1 1 52 52 LYS H H 52 8.332 8.332 8.344 -0.012 19178 7649 1 19 . 1 1 53 53 LEU N N 53 122.286 122.286 119.458 2.828 19178 7650 1 19 . 1 1 53 53 LEU HA H 53 4.376 4.376 4.243 0.133 19178 7651 1 19 . 1 1 53 53 LEU C C 53 178.373 178.373 178.559 -0.186 19178 7652 1 19 . 1 1 53 53 LEU CA C 53 57.863 57.863 57.645 0.218 19178 7653 1 19 . 1 1 53 53 LEU CB C 53 41.288 41.288 41.752 -0.465 19178 7654 1 19 . 1 1 53 53 LEU H H 53 7.671 7.671 8.643 -0.972 19178 7655 1 19 . 1 1 54 54 GLY N N 54 127.824 127.824 106.510 21.314 19178 7656 1 19 . 1 1 54 54 GLY C C 54 174.865 174.865 175.648 -0.783 19178 7657 1 19 . 1 1 54 54 GLY CA C 54 47.971 47.971 47.405 0.566 19178 7658 1 19 . 1 1 54 54 GLY H H 54 9.020 9.020 8.598 0.422 19178 7659 1 19 . 1 1 55 55 THR N N 55 117.961 117.961 118.459 -0.498 19178 7660 1 19 . 1 1 55 55 THR HA H 55 4.445 4.445 4.209 0.236 19178 7661 1 19 . 1 1 55 55 THR C C 55 175.188 175.188 176.022 -0.834 19178 7662 1 19 . 1 1 55 55 THR CA C 55 67.593 67.593 66.424 1.169 19178 7663 1 19 . 1 1 55 55 THR H H 55 8.123 8.123 8.331 -0.208 19178 7664 1 19 . 1 1 56 56 TYR N N 56 122.294 122.294 122.999 -0.705 19178 7665 1 19 . 1 1 56 56 TYR HA H 56 4.346 4.346 4.172 0.174 19178 7666 1 19 . 1 1 56 56 TYR C C 56 177.909 177.909 177.111 0.798 19178 7667 1 19 . 1 1 56 56 TYR CA C 56 61.147 61.147 60.727 0.420 19178 7668 1 19 . 1 1 56 56 TYR CB C 56 37.981 37.981 38.079 -0.098 19178 7669 1 19 . 1 1 56 56 TYR H H 56 7.697 7.697 8.107 -0.410 19178 7670 1 19 . 1 1 57 57 LEU N N 57 118.703 118.703 118.272 0.431 19178 7671 1 19 . 1 1 57 57 LEU HA H 57 3.914 3.914 3.690 0.224 19178 7672 1 19 . 1 1 57 57 LEU C C 57 180.087 180.087 178.310 1.777 19178 7673 1 19 . 1 1 57 57 LEU CA C 57 57.780 57.780 57.133 0.647 19178 7674 1 19 . 1 1 57 57 LEU CB C 57 42.026 42.026 41.529 0.497 19178 7675 1 19 . 1 1 57 57 LEU H H 57 8.909 8.909 7.898 1.011 19178 7676 1 19 . 1 1 58 58 TYR N N 58 120.667 120.667 113.642 7.025 19178 7677 1 19 . 1 1 58 58 TYR HA H 58 4.209 4.209 4.142 0.067 19178 7678 1 19 . 1 1 58 58 TYR C C 58 177.511 177.511 176.483 1.028 19178 7679 1 19 . 1 1 58 58 TYR CA C 58 61.641 61.641 60.454 1.187 19178 7680 1 19 . 1 1 58 58 TYR H H 58 8.971 8.971 7.908 1.063 19178 7681 1 19 . 1 1 59 59 GLN N N 59 119.344 119.344 117.369 1.975 19178 7682 1 19 . 1 1 59 59 GLN HA H 59 4.668 4.668 4.531 0.137 19178 7683 1 19 . 1 1 59 59 GLN C C 59 179.270 179.270 173.873 5.397 19178 7684 1 19 . 1 1 59 59 GLN H H 59 8.378 8.378 7.840 0.538 19178 7685 1 19 . 1 1 67 67 PHE HA H 67 4.852 4.852 4.703 0.149 19178 7686 1 19 . 1 1 67 67 PHE C C 67 175.889 175.889 173.281 2.608 19178 7687 1 19 . 1 1 67 67 PHE CA C 67 55.576 55.576 56.204 -0.628 19178 7688 1 19 . 1 1 67 67 PHE CB C 67 42.444 42.444 40.097 2.347 19178 7689 1 19 . 1 1 68 68 ASN N N 68 120.775 120.775 121.293 -0.518 19178 7690 1 19 . 1 1 68 68 ASN C C 68 175.338 175.338 174.722 0.616 19178 7691 1 19 . 1 1 68 68 ASN CA C 68 55.092 55.092 52.480 2.612 19178 7692 1 19 . 1 1 68 68 ASN CB C 68 40.006 40.006 39.393 0.613 19178 7693 1 19 . 1 1 68 68 ASN H H 68 9.560 9.560 8.382 1.178 19178 7694 1 19 . 1 1 69 69 THR N N 69 127.914 127.914 117.642 10.272 19178 7695 1 19 . 1 1 69 69 THR HA H 69 4.732 4.732 4.286 0.446 19178 7696 1 19 . 1 1 69 69 THR C C 69 173.530 173.530 175.374 -1.844 19178 7697 1 19 . 1 1 69 69 THR CA C 69 58.877 58.877 62.437 -3.560 19178 7698 1 19 . 1 1 69 69 THR CB C 69 73.620 73.620 69.550 4.070 19178 7699 1 19 . 1 1 69 69 THR H H 69 7.237 7.237 8.189 -0.952 19178 7700 1 19 . 1 1 70 70 LEU N N 70 122.013 122.013 129.987 -7.974 19178 7701 1 19 . 1 1 70 70 LEU HA H 70 3.005 3.005 4.292 -1.287 19178 7702 1 19 . 1 1 70 70 LEU C C 70 178.252 178.252 177.940 0.312 19178 7703 1 19 . 1 1 70 70 LEU CA C 70 56.721 56.721 57.166 -0.445 19178 7704 1 19 . 1 1 70 70 LEU CB C 70 41.199 41.199 41.708 -0.509 19178 7705 1 19 . 1 1 70 70 LEU H H 70 8.614 8.614 8.967 -0.353 19178 7706 1 19 . 1 1 71 71 THR N N 71 114.041 114.041 114.414 -0.373 19178 7707 1 19 . 1 1 71 71 THR HA H 71 3.620 3.620 3.762 -0.142 19178 7708 1 19 . 1 1 71 71 THR C C 71 175.400 175.400 176.479 -1.079 19178 7709 1 19 . 1 1 71 71 THR CA C 71 66.405 66.405 66.793 -0.389 19178 7710 1 19 . 1 1 71 71 THR CB C 71 68.517 68.517 68.230 0.287 19178 7711 1 19 . 1 1 71 71 THR H H 71 7.694 7.694 8.273 -0.579 19178 7712 1 19 . 1 1 72 72 GLU N N 72 120.141 120.141 120.879 -0.738 19178 7713 1 19 . 1 1 72 72 GLU HA H 72 3.997 3.997 3.895 0.102 19178 7714 1 19 . 1 1 72 72 GLU C C 72 178.982 178.982 178.144 0.838 19178 7715 1 19 . 1 1 72 72 GLU CA C 72 59.250 59.250 59.832 -0.582 19178 7716 1 19 . 1 1 72 72 GLU CB C 72 30.907 30.907 29.319 1.588 19178 7717 1 19 . 1 1 72 72 GLU H H 72 7.514 7.514 7.566 -0.052 19178 7718 1 19 . 1 1 73 73 ALA N N 73 123.400 123.400 121.953 1.447 19178 7719 1 19 . 1 1 73 73 ALA HA H 73 2.167 2.167 3.404 -1.237 19178 7720 1 19 . 1 1 73 73 ALA C C 73 178.959 178.959 179.273 -0.314 19178 7721 1 19 . 1 1 73 73 ALA CA C 73 54.323 54.323 54.834 -0.511 19178 7722 1 19 . 1 1 73 73 ALA CB C 73 17.561 17.561 17.916 -0.355 19178 7723 1 19 . 1 1 73 73 ALA H H 73 6.788 6.788 7.170 -0.382 19178 7724 1 19 . 1 1 74 74 ARG N N 74 116.272 116.272 117.569 -1.297 19178 7725 1 19 . 1 1 74 74 ARG HA H 74 3.887 3.887 3.622 0.265 19178 7726 1 19 . 1 1 74 74 ARG C C 74 179.230 179.230 178.077 1.153 19178 7727 1 19 . 1 1 74 74 ARG CA C 74 60.442 60.442 59.185 1.257 19178 7728 1 19 . 1 1 74 74 ARG CB C 74 29.878 29.878 29.759 0.119 19178 7729 1 19 . 1 1 74 74 ARG H H 74 8.145 8.145 8.480 -0.335 19178 7730 1 19 . 1 1 75 75 ASP N N 75 120.487 120.487 119.487 1.000 19178 7731 1 19 . 1 1 75 75 ASP HA H 75 4.446 4.446 4.376 0.070 19178 7732 1 19 . 1 1 75 75 ASP C C 75 178.040 178.040 178.047 -0.007 19178 7733 1 19 . 1 1 75 75 ASP CA C 75 57.166 57.166 57.013 0.153 19178 7734 1 19 . 1 1 75 75 ASP CB C 75 39.687 39.687 40.425 -0.738 19178 7735 1 19 . 1 1 75 75 ASP H H 75 8.594 8.594 8.191 0.403 19178 7736 1 19 . 1 1 76 76 ALA N N 76 122.773 122.773 123.288 -0.515 19178 7737 1 19 . 1 1 76 76 ALA HA H 76 4.345 4.345 4.096 0.249 19178 7738 1 19 . 1 1 76 76 ALA C C 76 181.221 181.221 179.536 1.685 19178 7739 1 19 . 1 1 76 76 ALA CA C 76 55.245 55.245 55.464 -0.219 19178 7740 1 19 . 1 1 76 76 ALA CB C 76 18.316 18.316 18.597 -0.281 19178 7741 1 19 . 1 1 76 76 ALA H H 76 7.668 7.668 7.890 -0.222 19178 7742 1 19 . 1 1 77 77 ILE N N 77 120.254 120.254 115.093 5.161 19178 7743 1 19 . 1 1 77 77 ILE HA H 77 3.632 3.632 4.069 -0.437 19178 7744 1 19 . 1 1 77 77 ILE C C 77 176.567 176.567 177.567 -1.000 19178 7745 1 19 . 1 1 77 77 ILE CA C 77 66.365 66.365 63.813 2.552 19178 7746 1 19 . 1 1 77 77 ILE CB C 77 37.947 37.947 37.322 0.625 19178 7747 1 19 . 1 1 77 77 ILE H H 77 7.724 7.724 8.316 -0.592 19178 7748 1 19 . 1 1 78 78 LYS N N 78 122.773 122.773 121.671 1.102 19178 7749 1 19 . 1 1 78 78 LYS HA H 78 4.265 4.265 3.966 0.299 19178 7750 1 19 . 1 1 78 78 LYS C C 78 178.382 178.382 178.397 -0.015 19178 7751 1 19 . 1 1 78 78 LYS CA C 78 60.442 60.442 59.317 1.125 19178 7752 1 19 . 1 1 78 78 LYS CB C 78 33.021 33.021 31.829 1.192 19178 7753 1 19 . 1 1 78 78 LYS H H 78 8.465 8.465 8.331 0.134 19178 7754 1 19 . 1 1 79 79 ASP N N 79 118.165 118.165 120.183 -2.018 19178 7755 1 19 . 1 1 79 79 ASP HA H 79 4.353 4.353 4.528 -0.175 19178 7756 1 19 . 1 1 79 79 ASP C C 79 179.289 179.289 178.344 0.945 19178 7757 1 19 . 1 1 79 79 ASP CA C 79 57.245 57.245 57.070 0.175 19178 7758 1 19 . 1 1 79 79 ASP H H 79 8.541 8.541 8.199 0.342 19178 7759 1 19 . 1 1 80 80 ALA N N 80 122.362 122.362 123.425 -1.063 19178 7760 1 19 . 1 1 80 80 ALA HA H 80 4.340 4.340 4.296 0.044 19178 7761 1 19 . 1 1 80 80 ALA C C 80 179.265 179.265 180.271 -1.006 19178 7762 1 19 . 1 1 80 80 ALA CA C 80 54.979 54.979 55.110 -0.131 19178 7763 1 19 . 1 1 80 80 ALA CB C 80 18.254 18.254 18.584 -0.331 19178 7764 1 19 . 1 1 80 80 ALA H H 80 7.727 7.727 8.426 -0.699 19178 7765 1 19 . 1 1 81 81 TYR N N 81 118.882 118.882 118.244 0.638 19178 7766 1 19 . 1 1 81 81 TYR HA H 81 4.115 4.115 4.258 -0.143 19178 7767 1 19 . 1 1 81 81 TYR C C 81 178.146 178.146 178.644 -0.498 19178 7768 1 19 . 1 1 81 81 TYR CA C 81 61.635 61.635 60.866 0.769 19178 7769 1 19 . 1 1 81 81 TYR CB C 81 38.115 38.115 38.058 0.057 19178 7770 1 19 . 1 1 81 81 TYR H H 81 9.037 9.037 9.091 -0.054 19178 7771 1 19 . 1 1 82 82 GLU N N 82 116.630 116.630 119.362 -2.732 19178 7772 1 19 . 1 1 82 82 GLU HA H 82 3.816 3.816 4.209 -0.393 19178 7773 1 19 . 1 1 82 82 GLU C C 82 178.664 178.664 178.320 0.344 19178 7774 1 19 . 1 1 82 82 GLU CA C 82 59.304 59.304 58.521 0.783 19178 7775 1 19 . 1 1 82 82 GLU CB C 82 28.848 28.848 29.469 -0.621 19178 7776 1 19 . 1 1 82 82 GLU H H 82 8.854 8.854 8.035 0.819 19178 7777 1 19 . 1 1 83 83 SER N N 83 114.004 114.004 114.647 -0.643 19178 7778 1 19 . 1 1 83 83 SER HA H 83 4.164 4.164 4.343 -0.179 19178 7779 1 19 . 1 1 83 83 SER C C 83 174.387 174.387 176.021 -1.634 19178 7780 1 19 . 1 1 83 83 SER CA C 83 61.038 61.038 60.748 0.290 19178 7781 1 19 . 1 1 83 83 SER CB C 83 63.152 63.152 63.879 -0.727 19178 7782 1 19 . 1 1 83 83 SER H H 83 7.573 7.573 8.338 -0.765 19178 7783 1 19 . 1 1 84 84 TYR N N 84 117.323 117.323 119.592 -2.269 19178 7784 1 19 . 1 1 84 84 TYR HA H 84 4.595 4.595 4.775 -0.180 19178 7785 1 19 . 1 1 84 84 TYR C C 84 174.434 174.434 175.436 -1.002 19178 7786 1 19 . 1 1 84 84 TYR CA C 84 58.871 58.871 57.461 1.410 19178 7787 1 19 . 1 1 84 84 TYR CB C 84 41.746 41.746 39.370 2.376 19178 7788 1 19 . 1 1 84 84 TYR H H 84 7.319 7.319 8.381 -1.062 19178 7789 1 19 . 1 1 85 85 CYS N N 85 118.762 118.762 118.230 0.532 19178 7790 1 19 . 1 1 85 85 CYS HA H 85 3.940 3.940 4.198 -0.258 19178 7791 1 19 . 1 1 85 85 CYS C C 85 176.178 176.178 176.114 0.064 19178 7792 1 19 . 1 1 85 85 CYS CA C 85 58.817 58.817 61.201 -2.384 19178 7793 1 19 . 1 1 85 85 CYS CB C 85 26.042 26.042 28.210 -2.168 19178 7794 1 19 . 1 1 85 85 CYS H H 85 7.670 7.670 8.011 -0.341 19178 7795 1 19 . 1 1 86 86 GLY N N 86 113.730 113.730 113.368 0.362 19178 7796 1 19 . 1 1 86 86 GLY C C 86 174.587 174.587 174.226 0.361 19178 7797 1 19 . 1 1 86 86 GLY CA C 86 45.214 45.214 45.336 -0.122 19178 7798 1 19 . 1 1 86 86 GLY H H 86 10.799 10.799 8.764 2.035 19178 7799 1 19 . 1 1 87 87 ILE N N 87 122.743 122.743 122.159 0.584 19178 7800 1 19 . 1 1 87 87 ILE HA H 87 4.291 4.291 4.328 -0.037 19178 7801 1 19 . 1 1 87 87 ILE C C 87 174.340 174.340 174.167 0.173 19178 7802 1 19 . 1 1 87 87 ILE CA C 87 60.968 60.968 60.378 0.590 19178 7803 1 19 . 1 1 87 87 ILE CB C 87 35.512 35.512 37.924 -2.412 19178 7804 1 19 . 1 1 87 87 ILE H H 87 8.023 8.023 8.151 -0.128 19178 7805 1 19 . 1 1 88 88 ASP N N 88 125.059 125.059 125.243 -0.184 19178 7806 1 19 . 1 1 88 88 ASP HA H 88 4.750 4.750 4.925 -0.175 19178 7807 1 19 . 1 1 88 88 ASP C C 88 175.895 175.895 175.273 0.622 19178 7808 1 19 . 1 1 88 88 ASP CA C 88 54.319 54.319 53.992 0.327 19178 7809 1 19 . 1 1 88 88 ASP CB C 88 41.692 41.692 42.515 -0.823 19178 7810 1 19 . 1 1 88 88 ASP H H 88 8.127 8.127 8.693 -0.566 19178 7811 1 19 . 1 1 89 89 ASP N N 89 117.971 117.971 117.437 0.534 19178 7812 1 19 . 1 1 89 89 ASP HA H 89 4.822 4.822 4.865 -0.043 19178 7813 1 19 . 1 1 89 89 ASP C C 89 174.069 174.069 175.433 -1.364 19178 7814 1 19 . 1 1 89 89 ASP CA C 89 52.369 52.369 53.379 -1.010 19178 7815 1 19 . 1 1 89 89 ASP CB C 89 43.625 43.625 43.861 -0.236 19178 7816 1 19 . 1 1 89 89 ASP H H 89 7.617 7.617 8.088 -0.471 19178 7817 1 19 . 1 1 90 90 CYS N N 90 126.238 126.238 120.541 5.697 19178 7818 1 19 . 1 1 90 90 CYS C C 90 175.636 175.636 175.936 -0.300 19178 7819 1 19 . 1 1 90 90 CYS CA C 90 56.215 56.215 56.431 -0.216 19178 7820 1 19 . 1 1 90 90 CYS H H 90 8.936 8.936 8.917 0.019 19178 7821 1 19 . 1 1 91 91 PRO HA H 91 4.460 4.460 4.341 0.119 19178 7822 1 19 . 1 1 91 91 PRO C C 91 178.629 178.629 177.949 0.680 19178 7823 1 19 . 1 1 91 91 PRO CA C 91 64.614 64.614 65.321 -0.707 19178 7824 1 19 . 1 1 91 91 PRO CB C 91 32.208 32.208 31.917 0.291 19178 7825 1 19 . 1 1 92 92 GLN N N 92 119.363 119.363 118.670 0.693 19178 7826 1 19 . 1 1 92 92 GLN HA H 92 4.060 4.060 4.269 -0.208 19178 7827 1 19 . 1 1 92 92 GLN C C 92 178.181 178.181 178.082 0.099 19178 7828 1 19 . 1 1 92 92 GLN CA C 92 57.837 57.837 58.523 -0.686 19178 7829 1 19 . 1 1 92 92 GLN CB C 92 28.252 28.252 27.567 0.685 19178 7830 1 19 . 1 1 92 92 GLN H H 92 8.253 8.253 8.802 -0.549 19178 7831 1 19 . 1 1 93 93 CYS N N 93 124.725 124.725 117.214 7.511 19178 7832 1 19 . 1 1 93 93 CYS HA H 93 4.269 4.269 4.307 -0.038 19178 7833 1 19 . 1 1 93 93 CYS C C 93 177.180 177.180 177.298 -0.118 19178 7834 1 19 . 1 1 93 93 CYS CA C 93 64.366 64.366 61.885 2.481 19178 7835 1 19 . 1 1 93 93 CYS CB C 93 30.379 30.379 25.892 4.487 19178 7836 1 19 . 1 1 93 93 CYS H H 93 8.581 8.581 8.513 0.068 19178 7837 1 19 . 1 1 94 94 SER N N 94 113.467 113.467 113.964 -0.497 19178 7838 1 19 . 1 1 94 94 SER HA H 94 4.277 4.277 4.386 -0.109 19178 7839 1 19 . 1 1 94 94 SER C C 94 174.481 174.481 175.600 -1.119 19178 7840 1 19 . 1 1 94 94 SER CA C 94 59.432 59.432 60.290 -0.858 19178 7841 1 19 . 1 1 94 94 SER CB C 94 63.217 63.217 63.484 -0.267 19178 7842 1 19 . 1 1 94 94 SER H H 94 7.753 7.753 7.873 -0.120 19178 7843 1 19 . 1 1 95 95 LYS N N 95 121.369 121.369 121.262 0.107 19178 7844 1 19 . 1 1 95 95 LYS HA H 95 4.211 4.211 4.287 -0.076 19178 7845 1 19 . 1 1 95 95 LYS C C 95 176.237 176.237 177.269 -1.032 19178 7846 1 19 . 1 1 95 95 LYS CA C 95 56.622 56.622 55.890 0.732 19178 7847 1 19 . 1 1 95 95 LYS CB C 95 32.756 32.756 32.385 0.372 19178 7848 1 19 . 1 1 95 95 LYS H H 95 7.520 7.520 7.796 -0.276 19178 7849 1 19 . 1 1 96 96 TYR N N 96 121.000 121.000 119.360 1.640 19178 7850 1 19 . 1 1 96 96 TYR HA H 96 4.559 4.559 4.402 0.157 19178 7851 1 19 . 1 1 96 96 TYR C C 96 175.577 175.577 176.124 -0.547 19178 7852 1 19 . 1 1 96 96 TYR CA C 96 58.039 58.039 58.276 -0.237 19178 7853 1 19 . 1 1 96 96 TYR CB C 96 38.694 38.694 39.739 -1.045 19178 7854 1 19 . 1 1 96 96 TYR H H 96 8.005 8.005 7.673 0.332 19178 7855 1 19 . 1 1 97 97 ILE N N 97 123.003 123.003 121.535 1.468 19178 7856 1 19 . 1 1 97 97 ILE HA H 97 4.120 4.120 4.012 0.108 19178 7857 1 19 . 1 1 97 97 ILE C C 97 175.194 175.194 174.981 0.213 19178 7858 1 19 . 1 1 97 97 ILE CA C 97 60.929 60.929 61.407 -0.478 19178 7859 1 19 . 1 1 97 97 ILE CB C 97 39.044 39.044 38.402 0.642 19178 7860 1 19 . 1 1 97 97 ILE H H 97 7.832 7.832 7.199 0.633 19178 7861 1 19 . 1 1 98 98 ASP N N 98 125.070 125.070 130.076 -5.006 19178 7862 1 19 . 1 1 98 98 ASP HA H 98 4.627 4.627 4.817 -0.190 19178 7863 1 19 . 1 1 98 98 ASP C C 98 174.976 174.976 175.304 -0.328 19178 7864 1 19 . 1 1 98 98 ASP CA C 98 54.184 54.184 53.375 0.809 19178 7865 1 19 . 1 1 98 98 ASP CB C 98 41.502 41.502 41.108 0.394 19178 7866 1 19 . 1 1 98 98 ASP H H 98 8.245 8.245 8.439 -0.194 19178 7867 1 20 . 1 1 16 16 GLN HA H 16 4.330 4.330 4.264 0.066 19178 7868 1 20 . 1 1 17 17 GLU N N 17 119.126 119.126 119.998 -0.872 19178 7869 1 20 . 1 1 17 17 GLU HA H 17 4.329 4.329 4.191 0.138 19178 7870 1 20 . 1 1 17 17 GLU H H 17 8.422 8.422 8.036 0.386 19178 7871 1 20 . 1 1 18 18 GLN N N 18 120.450 120.450 119.597 0.853 19178 7872 1 20 . 1 1 18 18 GLN HA H 18 4.081 4.081 4.132 -0.051 19178 7873 1 20 . 1 1 18 18 GLN H H 18 8.729 8.729 8.684 0.045 19178 7874 1 20 . 1 1 19 19 TRP N N 19 121.902 121.902 121.350 0.552 19178 7875 1 20 . 1 1 19 19 TRP HA H 19 4.125 4.125 4.785 -0.660 19178 7876 1 20 . 1 1 19 19 TRP C C 19 179.400 179.400 176.872 2.528 19178 7877 1 20 . 1 1 19 19 TRP CA C 19 62.361 62.361 59.827 2.534 19178 7878 1 20 . 1 1 19 19 TRP CB C 19 29.938 29.938 28.893 1.045 19178 7879 1 20 . 1 1 19 19 TRP H H 19 8.561 8.561 7.841 0.720 19178 7880 1 20 . 1 1 20 20 ALA N N 20 122.759 122.759 121.556 1.203 19178 7881 1 20 . 1 1 20 20 ALA HA H 20 3.815 3.815 3.490 0.325 19178 7882 1 20 . 1 1 20 20 ALA C C 20 180.433 180.433 179.681 0.752 19178 7883 1 20 . 1 1 20 20 ALA CA C 20 55.619 55.619 54.356 1.262 19178 7884 1 20 . 1 1 20 20 ALA CB C 20 18.474 18.474 18.140 0.334 19178 7885 1 20 . 1 1 20 20 ALA H H 20 8.828 8.828 7.901 0.927 19178 7886 1 20 . 1 1 21 21 MET N N 21 117.474 117.474 118.079 -0.605 19178 7887 1 20 . 1 1 21 21 MET HA H 21 4.479 4.479 3.925 0.554 19178 7888 1 20 . 1 1 21 21 MET C C 21 178.744 178.744 178.487 0.257 19178 7889 1 20 . 1 1 21 21 MET CA C 21 56.778 56.778 58.548 -1.770 19178 7890 1 20 . 1 1 21 21 MET CB C 21 29.956 29.956 31.638 -1.682 19178 7891 1 20 . 1 1 21 21 MET H H 21 8.702 8.702 7.810 0.892 19178 7892 1 20 . 1 1 22 22 GLN N N 22 119.738 119.738 118.404 1.334 19178 7893 1 20 . 1 1 22 22 GLN HA H 22 4.025 4.025 3.884 0.141 19178 7894 1 20 . 1 1 22 22 GLN C C 22 180.104 180.104 178.401 1.703 19178 7895 1 20 . 1 1 22 22 GLN CA C 22 58.872 58.872 59.483 -0.610 19178 7896 1 20 . 1 1 22 22 GLN CB C 22 27.880 27.880 28.053 -0.173 19178 7897 1 20 . 1 1 22 22 GLN H H 22 8.531 8.531 8.049 0.482 19178 7898 1 20 . 1 1 23 23 THR N N 23 117.049 117.049 114.220 2.829 19178 7899 1 20 . 1 1 23 23 THR HA H 23 3.715 3.715 3.979 -0.265 19178 7900 1 20 . 1 1 23 23 THR C C 23 177.477 177.477 176.474 1.003 19178 7901 1 20 . 1 1 23 23 THR CA C 23 66.380 66.380 65.122 1.258 19178 7902 1 20 . 1 1 23 23 THR CB C 23 67.579 67.579 68.597 -1.018 19178 7903 1 20 . 1 1 23 23 THR H H 23 7.752 7.752 7.758 -0.006 19178 7904 1 20 . 1 1 24 24 LEU N N 24 125.735 125.735 122.148 3.587 19178 7905 1 20 . 1 1 24 24 LEU HA H 24 3.731 3.731 3.801 -0.070 19178 7906 1 20 . 1 1 24 24 LEU C C 24 178.544 178.544 179.326 -0.782 19178 7907 1 20 . 1 1 24 24 LEU CA C 24 58.882 58.882 58.735 0.147 19178 7908 1 20 . 1 1 24 24 LEU CB C 24 41.550 41.550 41.851 -0.301 19178 7909 1 20 . 1 1 24 24 LEU H H 24 7.886 7.886 7.575 0.311 19178 7910 1 20 . 1 1 25 25 MET N N 25 118.622 118.622 115.651 2.971 19178 7911 1 20 . 1 1 25 25 MET HA H 25 4.717 4.717 4.333 0.384 19178 7912 1 20 . 1 1 25 25 MET C C 25 181.465 181.465 178.897 2.568 19178 7913 1 20 . 1 1 25 25 MET CA C 25 55.604 55.604 58.364 -2.760 19178 7914 1 20 . 1 1 25 25 MET CB C 25 32.071 32.071 32.023 0.049 19178 7915 1 20 . 1 1 25 25 MET H H 25 8.619 8.619 8.258 0.361 19178 7916 1 20 . 1 1 26 26 GLY N N 26 110.755 110.755 107.895 2.860 19178 7917 1 20 . 1 1 26 26 GLY C C 26 174.662 174.662 175.579 -0.917 19178 7918 1 20 . 1 1 26 26 GLY CA C 26 46.788 46.788 46.417 0.371 19178 7919 1 20 . 1 1 26 26 GLY H H 26 8.953 8.953 8.171 0.782 19178 7920 1 20 . 1 1 27 27 SER N N 27 109.977 109.977 115.872 -5.895 19178 7921 1 20 . 1 1 27 27 SER HA H 27 4.422 4.422 4.260 0.162 19178 7922 1 20 . 1 1 27 27 SER C C 27 175.612 175.612 175.414 0.198 19178 7923 1 20 . 1 1 27 27 SER CA C 27 58.309 58.309 59.359 -1.050 19178 7924 1 20 . 1 1 27 27 SER CB C 27 64.423 64.423 63.599 0.824 19178 7925 1 20 . 1 1 27 27 SER H H 27 7.335 7.335 7.647 -0.312 19178 7926 1 20 . 1 1 28 28 GLY N N 28 110.105 110.105 107.426 2.679 19178 7927 1 20 . 1 1 28 28 GLY C C 28 174.029 174.029 174.749 -0.720 19178 7928 1 20 . 1 1 28 28 GLY CA C 28 45.371 45.371 45.257 0.114 19178 7929 1 20 . 1 1 28 28 GLY H H 28 7.536 7.536 8.088 -0.552 19178 7930 1 20 . 1 1 29 29 VAL N N 29 121.444 121.444 118.942 2.502 19178 7931 1 20 . 1 1 29 29 VAL HA H 29 4.720 4.720 3.829 0.891 19178 7932 1 20 . 1 1 29 29 VAL C C 29 177.149 177.149 175.576 1.573 19178 7933 1 20 . 1 1 29 29 VAL CA C 29 66.474 66.474 65.442 1.032 19178 7934 1 20 . 1 1 29 29 VAL CB C 29 32.694 32.694 32.327 0.367 19178 7935 1 20 . 1 1 29 29 VAL H H 29 7.738 7.738 7.493 0.245 19178 7936 1 20 . 1 1 30 30 LEU N N 30 115.594 115.594 116.477 -0.883 19178 7937 1 20 . 1 1 30 30 LEU HA H 30 5.349 5.349 4.292 1.057 19178 7938 1 20 . 1 1 30 30 LEU C C 30 174.427 174.427 175.520 -1.093 19178 7939 1 20 . 1 1 30 30 LEU CA C 30 52.231 52.231 53.322 -1.091 19178 7940 1 20 . 1 1 30 30 LEU CB C 30 43.525 43.525 43.758 -0.233 19178 7941 1 20 . 1 1 30 30 LEU H H 30 7.090 7.090 7.174 -0.084 19178 7942 1 20 . 1 1 31 31 ALA N N 31 122.020 122.020 122.608 -0.588 19178 7943 1 20 . 1 1 31 31 ALA HA H 31 4.539 4.539 4.712 -0.173 19178 7944 1 20 . 1 1 31 31 ALA C C 31 175.130 175.130 175.464 -0.334 19178 7945 1 20 . 1 1 31 31 ALA CA C 31 50.963 50.963 51.090 -0.127 19178 7946 1 20 . 1 1 31 31 ALA CB C 31 22.314 22.314 21.037 1.277 19178 7947 1 20 . 1 1 31 31 ALA H H 31 8.981 8.981 8.631 0.350 19178 7948 1 20 . 1 1 32 32 ARG N N 32 118.606 118.606 120.659 -2.053 19178 7949 1 20 . 1 1 32 32 ARG HA H 32 5.342 5.342 4.686 0.656 19178 7950 1 20 . 1 1 32 32 ARG C C 32 178.051 178.051 175.287 2.764 19178 7951 1 20 . 1 1 32 32 ARG CA C 32 54.543 54.543 54.423 0.120 19178 7952 1 20 . 1 1 32 32 ARG CB C 32 31.485 31.485 31.667 -0.182 19178 7953 1 20 . 1 1 32 32 ARG H H 32 8.223 8.223 8.110 0.113 19178 7954 1 20 . 1 1 33 33 CYS N N 33 125.750 125.750 122.576 3.174 19178 7955 1 20 . 1 1 33 33 CYS HA H 33 4.117 4.117 4.556 -0.439 19178 7956 1 20 . 1 1 33 33 CYS C C 33 175.978 175.978 176.165 -0.187 19178 7957 1 20 . 1 1 33 33 CYS CA C 33 60.620 60.620 59.011 1.609 19178 7958 1 20 . 1 1 33 33 CYS CB C 33 27.213 27.213 28.355 -1.142 19178 7959 1 20 . 1 1 33 33 CYS H H 33 8.314 8.314 8.570 -0.256 19178 7960 1 20 . 1 1 34 34 ARG N N 34 128.053 128.053 126.583 1.470 19178 7961 1 20 . 1 1 34 34 ARG HA H 34 3.926 3.926 4.026 -0.100 19178 7962 1 20 . 1 1 34 34 ARG C C 34 176.565 176.565 176.578 -0.013 19178 7963 1 20 . 1 1 34 34 ARG CA C 34 58.719 58.719 58.377 0.342 19178 7964 1 20 . 1 1 34 34 ARG CB C 34 30.159 30.159 29.618 0.541 19178 7965 1 20 . 1 1 34 34 ARG H H 34 8.578 8.578 8.803 -0.225 19178 7966 1 20 . 1 1 35 35 ILE N N 35 122.502 122.502 114.605 7.897 19178 7967 1 20 . 1 1 35 35 ILE HA H 35 3.843 3.843 4.030 -0.187 19178 7968 1 20 . 1 1 35 35 ILE C C 35 176.028 176.028 174.952 1.076 19178 7969 1 20 . 1 1 35 35 ILE CA C 35 62.035 62.035 61.069 0.966 19178 7970 1 20 . 1 1 35 35 ILE CB C 35 39.125 39.125 38.547 0.578 19178 7971 1 20 . 1 1 35 35 ILE H H 35 8.932 8.932 7.860 1.072 19178 7972 1 20 . 1 1 36 36 HIS N N 36 121.974 121.974 119.507 2.467 19178 7973 1 20 . 1 1 36 36 HIS HA H 36 4.569 4.569 4.847 -0.278 19178 7974 1 20 . 1 1 36 36 HIS CB C 36 31.187 31.187 29.245 1.942 19178 7975 1 20 . 1 1 36 36 HIS H H 36 8.078 8.078 7.509 0.569 19178 7976 1 20 . 1 1 37 37 ASN N N 37 119.433 119.433 120.527 -1.094 19178 7977 1 20 . 1 1 37 37 ASN HA H 37 4.399 4.399 4.688 -0.289 19178 7978 1 20 . 1 1 37 37 ASN C C 37 173.906 173.906 175.044 -1.138 19178 7979 1 20 . 1 1 37 37 ASN CA C 37 56.407 56.407 54.528 1.879 19178 7980 1 20 . 1 1 37 37 ASN CB C 37 39.331 39.331 39.723 -0.392 19178 7981 1 20 . 1 1 37 37 ASN H H 37 8.386 8.386 8.539 -0.153 19178 7982 1 20 . 1 1 38 38 ASP N N 38 112.673 112.673 118.942 -6.269 19178 7983 1 20 . 1 1 38 38 ASP HA H 38 4.385 4.385 4.786 -0.401 19178 7984 1 20 . 1 1 38 38 ASP C C 38 175.841 175.841 174.663 1.178 19178 7985 1 20 . 1 1 38 38 ASP CA C 38 53.983 53.983 54.233 -0.250 19178 7986 1 20 . 1 1 38 38 ASP CB C 38 40.263 40.263 40.338 -0.075 19178 7987 1 20 . 1 1 38 38 ASP H H 38 8.880 8.880 8.539 0.341 19178 7988 1 20 . 1 1 39 39 VAL N N 39 124.385 124.385 117.412 6.973 19178 7989 1 20 . 1 1 39 39 VAL HA H 39 3.944 3.944 4.166 -0.222 19178 7990 1 20 . 1 1 39 39 VAL C C 39 173.731 173.731 174.390 -0.659 19178 7991 1 20 . 1 1 39 39 VAL CA C 39 63.514 63.514 60.971 2.543 19178 7992 1 20 . 1 1 39 39 VAL CB C 39 32.408 32.408 34.803 -2.395 19178 7993 1 20 . 1 1 39 39 VAL H H 39 8.253 8.253 7.231 1.022 19178 7994 1 20 . 1 1 40 40 ILE N N 40 128.130 128.130 124.847 3.283 19178 7995 1 20 . 1 1 40 40 ILE HA H 40 4.222 4.222 4.078 0.144 19178 7996 1 20 . 1 1 40 40 ILE C C 40 174.090 174.090 173.755 0.335 19178 7997 1 20 . 1 1 40 40 ILE CA C 40 60.635 60.635 59.682 0.953 19178 7998 1 20 . 1 1 40 40 ILE CB C 40 38.281 38.281 39.038 -0.757 19178 7999 1 20 . 1 1 40 40 ILE H H 40 7.836 7.836 7.668 0.168 19178 8000 1 20 . 1 1 41 41 LEU N N 41 124.924 124.924 130.013 -5.089 19178 8001 1 20 . 1 1 41 41 LEU HA H 41 4.884 4.884 4.634 0.250 19178 8002 1 20 . 1 1 41 41 LEU C C 41 175.989 175.989 175.322 0.667 19178 8003 1 20 . 1 1 41 41 LEU CA C 41 52.654 52.654 53.448 -0.794 19178 8004 1 20 . 1 1 41 41 LEU CB C 41 45.122 45.122 45.074 0.048 19178 8005 1 20 . 1 1 41 41 LEU H H 41 8.836 8.836 8.829 0.007 19178 8006 1 20 . 1 1 42 42 ASP N N 42 119.247 119.247 123.769 -4.522 19178 8007 1 20 . 1 1 42 42 ASP HA H 42 4.858 4.858 4.408 0.450 19178 8008 1 20 . 1 1 42 42 ASP C C 42 176.128 176.128 175.999 0.129 19178 8009 1 20 . 1 1 42 42 ASP CA C 42 53.328 53.328 54.838 -1.510 19178 8010 1 20 . 1 1 42 42 ASP CB C 42 41.408 41.408 41.887 -0.479 19178 8011 1 20 . 1 1 42 42 ASP H H 42 8.725 8.725 8.578 0.147 19178 8012 1 20 . 1 1 43 43 SER N N 43 123.344 123.344 121.754 1.590 19178 8013 1 20 . 1 1 43 43 SER HA H 43 4.178 4.178 4.498 -0.320 19178 8014 1 20 . 1 1 43 43 SER C C 43 176.291 176.291 175.248 1.043 19178 8015 1 20 . 1 1 43 43 SER CA C 43 60.431 60.431 58.634 1.797 19178 8016 1 20 . 1 1 43 43 SER CB C 43 64.943 64.943 63.354 1.589 19178 8017 1 20 . 1 1 43 43 SER H H 43 8.462 8.462 8.591 -0.129 19178 8018 1 20 . 1 1 44 44 GLY N N 44 112.184 112.184 109.843 2.341 19178 8019 1 20 . 1 1 44 44 GLY C C 44 174.525 174.525 174.374 0.151 19178 8020 1 20 . 1 1 44 44 GLY CA C 44 45.368 45.368 45.445 -0.077 19178 8021 1 20 . 1 1 44 44 GLY H H 44 9.230 9.230 8.590 0.640 19178 8022 1 20 . 1 1 45 45 ASN N N 45 119.774 119.774 118.376 1.398 19178 8023 1 20 . 1 1 45 45 ASN HA H 45 4.681 4.681 4.709 -0.028 19178 8024 1 20 . 1 1 45 45 ASN C C 45 174.866 174.866 174.916 -0.050 19178 8025 1 20 . 1 1 45 45 ASN CA C 45 52.807 52.807 52.561 0.246 19178 8026 1 20 . 1 1 45 45 ASN CB C 45 39.241 39.241 40.145 -0.904 19178 8027 1 20 . 1 1 45 45 ASN H H 45 8.486 8.486 7.725 0.761 19178 8028 1 20 . 1 1 46 46 ASP N N 46 120.223 120.223 119.931 0.292 19178 8029 1 20 . 1 1 46 46 ASP HA H 46 4.367 4.367 4.551 -0.184 19178 8030 1 20 . 1 1 46 46 ASP C C 46 177.272 177.272 176.373 0.899 19178 8031 1 20 . 1 1 46 46 ASP CA C 46 54.869 54.869 55.353 -0.484 19178 8032 1 20 . 1 1 46 46 ASP CB C 46 42.461 42.461 40.089 2.372 19178 8033 1 20 . 1 1 46 46 ASP H H 46 8.387 8.387 8.571 -0.184 19178 8034 1 20 . 1 1 47 47 ALA N N 47 126.587 126.587 128.531 -1.944 19178 8035 1 20 . 1 1 47 47 ALA HA H 47 3.741 3.741 4.050 -0.309 19178 8036 1 20 . 1 1 47 47 ALA C C 47 177.980 177.980 178.541 -0.561 19178 8037 1 20 . 1 1 47 47 ALA CA C 47 53.866 53.866 54.382 -0.516 19178 8038 1 20 . 1 1 47 47 ALA CB C 47 16.554 16.554 18.452 -1.898 19178 8039 1 20 . 1 1 47 47 ALA H H 47 8.747 8.747 8.516 0.231 19178 8040 1 20 . 1 1 48 48 SER N N 48 115.463 115.463 114.742 0.721 19178 8041 1 20 . 1 1 48 48 SER HA H 48 4.203 4.203 4.411 -0.208 19178 8042 1 20 . 1 1 48 48 SER CA C 48 61.994 61.994 62.134 -0.140 19178 8043 1 20 . 1 1 48 48 SER H H 48 8.973 8.973 8.481 0.492 19178 8044 1 20 . 1 1 49 49 SER C C 49 176.587 176.587 176.216 0.371 19178 8045 1 20 . 1 1 49 49 SER CA C 49 62.279 62.279 61.777 0.502 19178 8046 1 20 . 1 1 50 50 ALA N N 50 125.775 125.775 124.616 1.159 19178 8047 1 20 . 1 1 50 50 ALA HA H 50 4.076 4.076 4.121 -0.045 19178 8048 1 20 . 1 1 50 50 ALA C C 50 179.125 179.125 179.497 -0.372 19178 8049 1 20 . 1 1 50 50 ALA CA C 50 54.822 54.822 54.334 0.488 19178 8050 1 20 . 1 1 50 50 ALA CB C 50 18.834 18.834 18.418 0.416 19178 8051 1 20 . 1 1 50 50 ALA H H 50 7.620 7.620 7.423 0.197 19178 8052 1 20 . 1 1 51 51 TYR N N 51 117.562 117.562 118.724 -1.162 19178 8053 1 20 . 1 1 51 51 TYR HA H 51 4.275 4.275 4.102 0.173 19178 8054 1 20 . 1 1 51 51 TYR C C 51 179.622 179.622 178.505 1.117 19178 8055 1 20 . 1 1 51 51 TYR CA C 51 60.966 60.966 60.775 0.191 19178 8056 1 20 . 1 1 51 51 TYR CB C 51 36.803 36.803 37.609 -0.806 19178 8057 1 20 . 1 1 51 51 TYR H H 51 7.397 7.397 8.318 -0.921 19178 8058 1 20 . 1 1 52 52 LYS N N 52 121.441 121.441 121.137 0.304 19178 8059 1 20 . 1 1 52 52 LYS HA H 52 4.103 4.103 4.238 -0.135 19178 8060 1 20 . 1 1 52 52 LYS C C 52 179.041 179.041 178.925 0.116 19178 8061 1 20 . 1 1 52 52 LYS CA C 52 59.827 59.827 58.852 0.975 19178 8062 1 20 . 1 1 52 52 LYS H H 52 8.332 8.332 8.518 -0.186 19178 8063 1 20 . 1 1 53 53 LEU N N 53 122.286 122.286 120.566 1.720 19178 8064 1 20 . 1 1 53 53 LEU HA H 53 4.376 4.376 4.150 0.226 19178 8065 1 20 . 1 1 53 53 LEU C C 53 178.373 178.373 178.880 -0.507 19178 8066 1 20 . 1 1 53 53 LEU CA C 53 57.863 57.863 57.501 0.362 19178 8067 1 20 . 1 1 53 53 LEU CB C 53 41.288 41.288 41.114 0.174 19178 8068 1 20 . 1 1 53 53 LEU H H 53 7.671 7.671 8.200 -0.529 19178 8069 1 20 . 1 1 54 54 GLY N N 54 127.824 127.824 106.675 21.149 19178 8070 1 20 . 1 1 54 54 GLY C C 54 174.865 174.865 175.790 -0.925 19178 8071 1 20 . 1 1 54 54 GLY CA C 54 47.971 47.971 47.181 0.790 19178 8072 1 20 . 1 1 54 54 GLY H H 54 9.020 9.020 8.741 0.279 19178 8073 1 20 . 1 1 55 55 THR N N 55 117.961 117.961 117.725 0.236 19178 8074 1 20 . 1 1 55 55 THR HA H 55 4.445 4.445 4.087 0.358 19178 8075 1 20 . 1 1 55 55 THR C C 55 175.188 175.188 176.367 -1.179 19178 8076 1 20 . 1 1 55 55 THR CA C 55 67.593 67.593 66.510 1.083 19178 8077 1 20 . 1 1 55 55 THR H H 55 8.123 8.123 8.429 -0.306 19178 8078 1 20 . 1 1 56 56 TYR N N 56 122.294 122.294 122.987 -0.693 19178 8079 1 20 . 1 1 56 56 TYR HA H 56 4.346 4.346 4.236 0.110 19178 8080 1 20 . 1 1 56 56 TYR C C 56 177.909 177.909 177.514 0.395 19178 8081 1 20 . 1 1 56 56 TYR CA C 56 61.147 61.147 61.502 -0.355 19178 8082 1 20 . 1 1 56 56 TYR CB C 56 37.981 37.981 38.723 -0.742 19178 8083 1 20 . 1 1 56 56 TYR H H 56 7.697 7.697 8.184 -0.487 19178 8084 1 20 . 1 1 57 57 LEU N N 57 118.703 118.703 120.053 -1.350 19178 8085 1 20 . 1 1 57 57 LEU HA H 57 3.914 3.914 3.830 0.084 19178 8086 1 20 . 1 1 57 57 LEU C C 57 180.087 180.087 178.286 1.801 19178 8087 1 20 . 1 1 57 57 LEU CA C 57 57.780 57.780 58.241 -0.461 19178 8088 1 20 . 1 1 57 57 LEU CB C 57 42.026 42.026 41.891 0.135 19178 8089 1 20 . 1 1 57 57 LEU H H 57 8.909 8.909 7.829 1.080 19178 8090 1 20 . 1 1 58 58 TYR N N 58 120.667 120.667 114.459 6.208 19178 8091 1 20 . 1 1 58 58 TYR HA H 58 4.209 4.209 4.145 0.064 19178 8092 1 20 . 1 1 58 58 TYR C C 58 177.511 177.511 176.936 0.575 19178 8093 1 20 . 1 1 58 58 TYR CA C 58 61.641 61.641 59.900 1.741 19178 8094 1 20 . 1 1 58 58 TYR H H 58 8.971 8.971 7.914 1.057 19178 8095 1 20 . 1 1 59 59 GLN N N 59 119.344 119.344 116.877 2.467 19178 8096 1 20 . 1 1 59 59 GLN HA H 59 4.668 4.668 4.263 0.405 19178 8097 1 20 . 1 1 59 59 GLN C C 59 179.270 179.270 176.294 2.976 19178 8098 1 20 . 1 1 59 59 GLN H H 59 8.378 8.378 7.664 0.714 19178 8099 1 20 . 1 1 67 67 PHE HA H 67 4.852 4.852 4.263 0.589 19178 8100 1 20 . 1 1 67 67 PHE C C 67 175.889 175.889 176.104 -0.215 19178 8101 1 20 . 1 1 67 67 PHE CA C 67 55.576 55.576 58.935 -3.359 19178 8102 1 20 . 1 1 67 67 PHE CB C 67 42.444 42.444 38.750 3.694 19178 8103 1 20 . 1 1 68 68 ASN N N 68 120.775 120.775 116.893 3.882 19178 8104 1 20 . 1 1 68 68 ASN C C 68 175.338 175.338 174.165 1.173 19178 8105 1 20 . 1 1 68 68 ASN CA C 68 55.092 55.092 53.559 1.533 19178 8106 1 20 . 1 1 68 68 ASN CB C 68 40.006 40.006 39.249 0.757 19178 8107 1 20 . 1 1 68 68 ASN H H 68 9.560 9.560 8.125 1.435 19178 8108 1 20 . 1 1 69 69 THR N N 69 127.914 127.914 118.407 9.507 19178 8109 1 20 . 1 1 69 69 THR HA H 69 4.732 4.732 4.502 0.230 19178 8110 1 20 . 1 1 69 69 THR C C 69 173.530 173.530 174.543 -1.013 19178 8111 1 20 . 1 1 69 69 THR CA C 69 58.877 58.877 60.840 -1.963 19178 8112 1 20 . 1 1 69 69 THR CB C 69 73.620 73.620 71.903 1.717 19178 8113 1 20 . 1 1 69 69 THR H H 69 7.237 7.237 8.080 -0.843 19178 8114 1 20 . 1 1 70 70 LEU N N 70 122.013 122.013 125.903 -3.890 19178 8115 1 20 . 1 1 70 70 LEU HA H 70 3.005 3.005 4.170 -1.165 19178 8116 1 20 . 1 1 70 70 LEU C C 70 178.252 178.252 178.399 -0.147 19178 8117 1 20 . 1 1 70 70 LEU CA C 70 56.721 56.721 58.095 -1.374 19178 8118 1 20 . 1 1 70 70 LEU CB C 70 41.199 41.199 40.994 0.205 19178 8119 1 20 . 1 1 70 70 LEU H H 70 8.614 8.614 8.838 -0.224 19178 8120 1 20 . 1 1 71 71 THR N N 71 114.041 114.041 114.728 -0.687 19178 8121 1 20 . 1 1 71 71 THR HA H 71 3.620 3.620 3.987 -0.367 19178 8122 1 20 . 1 1 71 71 THR C C 71 175.400 175.400 176.722 -1.322 19178 8123 1 20 . 1 1 71 71 THR CA C 71 66.405 66.405 66.441 -0.036 19178 8124 1 20 . 1 1 71 71 THR CB C 71 68.517 68.517 68.124 0.394 19178 8125 1 20 . 1 1 71 71 THR H H 71 7.694 7.694 8.112 -0.418 19178 8126 1 20 . 1 1 72 72 GLU N N 72 120.141 120.141 120.244 -0.103 19178 8127 1 20 . 1 1 72 72 GLU HA H 72 3.997 3.997 3.966 0.031 19178 8128 1 20 . 1 1 72 72 GLU C C 72 178.982 178.982 178.407 0.575 19178 8129 1 20 . 1 1 72 72 GLU CA C 72 59.250 59.250 59.297 -0.047 19178 8130 1 20 . 1 1 72 72 GLU CB C 72 30.907 30.907 28.881 2.026 19178 8131 1 20 . 1 1 72 72 GLU H H 72 7.514 7.514 8.313 -0.799 19178 8132 1 20 . 1 1 73 73 ALA N N 73 123.400 123.400 122.755 0.645 19178 8133 1 20 . 1 1 73 73 ALA HA H 73 2.167 2.167 3.423 -1.256 19178 8134 1 20 . 1 1 73 73 ALA C C 73 178.959 178.959 179.314 -0.355 19178 8135 1 20 . 1 1 73 73 ALA CA C 73 54.323 54.323 54.813 -0.490 19178 8136 1 20 . 1 1 73 73 ALA CB C 73 17.561 17.561 17.783 -0.222 19178 8137 1 20 . 1 1 73 73 ALA H H 73 6.788 6.788 7.581 -0.793 19178 8138 1 20 . 1 1 74 74 ARG N N 74 116.272 116.272 117.851 -1.579 19178 8139 1 20 . 1 1 74 74 ARG HA H 74 3.887 3.887 4.072 -0.185 19178 8140 1 20 . 1 1 74 74 ARG C C 74 179.230 179.230 178.395 0.835 19178 8141 1 20 . 1 1 74 74 ARG CA C 74 60.442 60.442 59.132 1.310 19178 8142 1 20 . 1 1 74 74 ARG CB C 74 29.878 29.878 29.803 0.075 19178 8143 1 20 . 1 1 74 74 ARG H H 74 8.145 8.145 8.416 -0.271 19178 8144 1 20 . 1 1 75 75 ASP N N 75 120.487 120.487 118.428 2.059 19178 8145 1 20 . 1 1 75 75 ASP HA H 75 4.446 4.446 4.446 0.000 19178 8146 1 20 . 1 1 75 75 ASP C C 75 178.040 178.040 177.933 0.107 19178 8147 1 20 . 1 1 75 75 ASP CA C 75 57.166 57.166 56.952 0.214 19178 8148 1 20 . 1 1 75 75 ASP CB C 75 39.687 39.687 40.608 -0.921 19178 8149 1 20 . 1 1 75 75 ASP H H 75 8.594 8.594 8.195 0.399 19178 8150 1 20 . 1 1 76 76 ALA N N 76 122.773 122.773 122.983 -0.210 19178 8151 1 20 . 1 1 76 76 ALA HA H 76 4.345 4.345 4.089 0.256 19178 8152 1 20 . 1 1 76 76 ALA C C 76 181.221 181.221 179.688 1.533 19178 8153 1 20 . 1 1 76 76 ALA CA C 76 55.245 55.245 55.085 0.160 19178 8154 1 20 . 1 1 76 76 ALA CB C 76 18.316 18.316 18.607 -0.291 19178 8155 1 20 . 1 1 76 76 ALA H H 76 7.668 7.668 7.883 -0.215 19178 8156 1 20 . 1 1 77 77 ILE N N 77 120.254 120.254 118.192 2.062 19178 8157 1 20 . 1 1 77 77 ILE HA H 77 3.632 3.632 3.885 -0.253 19178 8158 1 20 . 1 1 77 77 ILE C C 77 176.567 176.567 178.082 -1.515 19178 8159 1 20 . 1 1 77 77 ILE CA C 77 66.365 66.365 64.268 2.097 19178 8160 1 20 . 1 1 77 77 ILE CB C 77 37.947 37.947 37.707 0.240 19178 8161 1 20 . 1 1 77 77 ILE H H 77 7.724 7.724 8.460 -0.736 19178 8162 1 20 . 1 1 78 78 LYS N N 78 122.773 122.773 120.779 1.994 19178 8163 1 20 . 1 1 78 78 LYS HA H 78 4.265 4.265 4.031 0.234 19178 8164 1 20 . 1 1 78 78 LYS C C 78 178.382 178.382 178.545 -0.163 19178 8165 1 20 . 1 1 78 78 LYS CA C 78 60.442 60.442 59.282 1.160 19178 8166 1 20 . 1 1 78 78 LYS CB C 78 33.021 33.021 32.031 0.990 19178 8167 1 20 . 1 1 78 78 LYS H H 78 8.465 8.465 8.390 0.075 19178 8168 1 20 . 1 1 79 79 ASP N N 79 118.165 118.165 120.213 -2.048 19178 8169 1 20 . 1 1 79 79 ASP HA H 79 4.353 4.353 4.484 -0.131 19178 8170 1 20 . 1 1 79 79 ASP C C 79 179.289 179.289 177.976 1.313 19178 8171 1 20 . 1 1 79 79 ASP CA C 79 57.245 57.245 56.944 0.301 19178 8172 1 20 . 1 1 79 79 ASP H H 79 8.541 8.541 8.285 0.256 19178 8173 1 20 . 1 1 80 80 ALA N N 80 122.362 122.362 122.774 -0.412 19178 8174 1 20 . 1 1 80 80 ALA HA H 80 4.340 4.340 4.210 0.130 19178 8175 1 20 . 1 1 80 80 ALA C C 80 179.265 179.265 180.219 -0.954 19178 8176 1 20 . 1 1 80 80 ALA CA C 80 54.979 54.979 55.285 -0.306 19178 8177 1 20 . 1 1 80 80 ALA CB C 80 18.254 18.254 18.510 -0.256 19178 8178 1 20 . 1 1 80 80 ALA H H 80 7.727 7.727 8.016 -0.289 19178 8179 1 20 . 1 1 81 81 TYR N N 81 118.882 118.882 118.083 0.799 19178 8180 1 20 . 1 1 81 81 TYR HA H 81 4.115 4.115 4.227 -0.112 19178 8181 1 20 . 1 1 81 81 TYR C C 81 178.146 178.146 178.452 -0.306 19178 8182 1 20 . 1 1 81 81 TYR CA C 81 61.635 61.635 61.016 0.619 19178 8183 1 20 . 1 1 81 81 TYR CB C 81 38.115 38.115 38.065 0.050 19178 8184 1 20 . 1 1 81 81 TYR H H 81 9.037 9.037 8.995 0.042 19178 8185 1 20 . 1 1 82 82 GLU N N 82 116.630 116.630 118.329 -1.699 19178 8186 1 20 . 1 1 82 82 GLU HA H 82 3.816 3.816 4.137 -0.321 19178 8187 1 20 . 1 1 82 82 GLU C C 82 178.664 178.664 177.929 0.735 19178 8188 1 20 . 1 1 82 82 GLU CA C 82 59.304 59.304 58.610 0.694 19178 8189 1 20 . 1 1 82 82 GLU CB C 82 28.848 28.848 29.495 -0.647 19178 8190 1 20 . 1 1 82 82 GLU H H 82 8.854 8.854 8.030 0.824 19178 8191 1 20 . 1 1 83 83 SER N N 83 114.004 114.004 114.882 -0.878 19178 8192 1 20 . 1 1 83 83 SER HA H 83 4.164 4.164 4.342 -0.178 19178 8193 1 20 . 1 1 83 83 SER C C 83 174.387 174.387 175.425 -1.038 19178 8194 1 20 . 1 1 83 83 SER CA C 83 61.038 61.038 60.472 0.565 19178 8195 1 20 . 1 1 83 83 SER CB C 83 63.152 63.152 63.704 -0.552 19178 8196 1 20 . 1 1 83 83 SER H H 83 7.573 7.573 8.140 -0.567 19178 8197 1 20 . 1 1 84 84 TYR N N 84 117.323 117.323 118.441 -1.118 19178 8198 1 20 . 1 1 84 84 TYR HA H 84 4.595 4.595 4.661 -0.066 19178 8199 1 20 . 1 1 84 84 TYR C C 84 174.434 174.434 175.284 -0.850 19178 8200 1 20 . 1 1 84 84 TYR CA C 84 58.871 58.871 57.199 1.672 19178 8201 1 20 . 1 1 84 84 TYR CB C 84 41.746 41.746 38.931 2.815 19178 8202 1 20 . 1 1 84 84 TYR H H 84 7.319 7.319 8.338 -1.019 19178 8203 1 20 . 1 1 85 85 CYS N N 85 118.762 118.762 118.519 0.243 19178 8204 1 20 . 1 1 85 85 CYS HA H 85 3.940 3.940 4.160 -0.220 19178 8205 1 20 . 1 1 85 85 CYS C C 85 176.178 176.178 175.461 0.717 19178 8206 1 20 . 1 1 85 85 CYS CA C 85 58.817 58.817 61.350 -2.533 19178 8207 1 20 . 1 1 85 85 CYS CB C 85 26.042 26.042 28.639 -2.597 19178 8208 1 20 . 1 1 85 85 CYS H H 85 7.670 7.670 7.709 -0.039 19178 8209 1 20 . 1 1 86 86 GLY N N 86 113.730 113.730 115.051 -1.321 19178 8210 1 20 . 1 1 86 86 GLY C C 86 174.587 174.587 173.874 0.713 19178 8211 1 20 . 1 1 86 86 GLY CA C 86 45.214 45.214 44.877 0.337 19178 8212 1 20 . 1 1 86 86 GLY H H 86 10.799 10.799 8.432 2.367 19178 8213 1 20 . 1 1 87 87 ILE N N 87 122.743 122.743 118.177 4.566 19178 8214 1 20 . 1 1 87 87 ILE HA H 87 4.291 4.291 4.582 -0.291 19178 8215 1 20 . 1 1 87 87 ILE C C 87 174.340 174.340 173.789 0.551 19178 8216 1 20 . 1 1 87 87 ILE CA C 87 60.968 60.968 59.767 1.201 19178 8217 1 20 . 1 1 87 87 ILE CB C 87 35.512 35.512 38.507 -2.995 19178 8218 1 20 . 1 1 87 87 ILE H H 87 8.023 8.023 7.276 0.747 19178 8219 1 20 . 1 1 88 88 ASP N N 88 125.059 125.059 123.404 1.655 19178 8220 1 20 . 1 1 88 88 ASP HA H 88 4.750 4.750 4.897 -0.147 19178 8221 1 20 . 1 1 88 88 ASP C C 88 175.895 175.895 175.140 0.755 19178 8222 1 20 . 1 1 88 88 ASP CA C 88 54.319 54.319 53.483 0.836 19178 8223 1 20 . 1 1 88 88 ASP CB C 88 41.692 41.692 42.340 -0.648 19178 8224 1 20 . 1 1 88 88 ASP H H 88 8.127 8.127 8.765 -0.638 19178 8225 1 20 . 1 1 89 89 ASP N N 89 117.971 117.971 119.939 -1.968 19178 8226 1 20 . 1 1 89 89 ASP HA H 89 4.822 4.822 4.865 -0.043 19178 8227 1 20 . 1 1 89 89 ASP C C 89 174.069 174.069 174.357 -0.288 19178 8228 1 20 . 1 1 89 89 ASP CA C 89 52.369 52.369 53.888 -1.519 19178 8229 1 20 . 1 1 89 89 ASP CB C 89 43.625 43.625 43.069 0.556 19178 8230 1 20 . 1 1 89 89 ASP H H 89 7.617 7.617 8.008 -0.391 19178 8231 1 20 . 1 1 90 90 CYS N N 90 126.238 126.238 122.483 3.755 19178 8232 1 20 . 1 1 90 90 CYS C C 90 175.636 175.636 174.928 0.708 19178 8233 1 20 . 1 1 90 90 CYS CA C 90 56.215 56.215 54.984 1.231 19178 8234 1 20 . 1 1 90 90 CYS H H 90 8.936 8.936 8.704 0.232 19178 8235 1 20 . 1 1 91 91 PRO HA H 91 4.460 4.460 4.355 0.105 19178 8236 1 20 . 1 1 91 91 PRO C C 91 178.629 178.629 178.052 0.577 19178 8237 1 20 . 1 1 91 91 PRO CA C 91 64.614 64.614 65.131 -0.517 19178 8238 1 20 . 1 1 91 91 PRO CB C 91 32.208 32.208 32.266 -0.058 19178 8239 1 20 . 1 1 92 92 GLN N N 92 119.363 119.363 118.358 1.005 19178 8240 1 20 . 1 1 92 92 GLN HA H 92 4.060 4.060 4.160 -0.100 19178 8241 1 20 . 1 1 92 92 GLN C C 92 178.181 178.181 178.156 0.025 19178 8242 1 20 . 1 1 92 92 GLN CA C 92 57.837 57.837 58.868 -1.032 19178 8243 1 20 . 1 1 92 92 GLN CB C 92 28.252 28.252 27.948 0.305 19178 8244 1 20 . 1 1 92 92 GLN H H 92 8.253 8.253 8.534 -0.281 19178 8245 1 20 . 1 1 93 93 CYS N N 93 124.725 124.725 115.874 8.851 19178 8246 1 20 . 1 1 93 93 CYS HA H 93 4.269 4.269 4.169 0.100 19178 8247 1 20 . 1 1 93 93 CYS C C 93 177.180 177.180 175.639 1.541 19178 8248 1 20 . 1 1 93 93 CYS CA C 93 64.366 64.366 61.604 2.762 19178 8249 1 20 . 1 1 93 93 CYS CB C 93 30.379 30.379 26.296 4.083 19178 8250 1 20 . 1 1 93 93 CYS H H 93 8.581 8.581 7.689 0.892 19178 8251 1 20 . 1 1 94 94 SER N N 94 113.467 113.467 113.263 0.204 19178 8252 1 20 . 1 1 94 94 SER HA H 94 4.277 4.277 4.549 -0.272 19178 8253 1 20 . 1 1 94 94 SER C C 94 174.481 174.481 175.014 -0.533 19178 8254 1 20 . 1 1 94 94 SER CA C 94 59.432 59.432 59.964 -0.532 19178 8255 1 20 . 1 1 94 94 SER CB C 94 63.217 63.217 63.464 -0.247 19178 8256 1 20 . 1 1 94 94 SER H H 94 7.753 7.753 7.671 0.082 19178 8257 1 20 . 1 1 95 95 LYS N N 95 121.369 121.369 120.512 0.857 19178 8258 1 20 . 1 1 95 95 LYS HA H 95 4.211 4.211 4.355 -0.144 19178 8259 1 20 . 1 1 95 95 LYS C C 95 176.237 176.237 177.268 -1.031 19178 8260 1 20 . 1 1 95 95 LYS CA C 95 56.622 56.622 56.948 -0.326 19178 8261 1 20 . 1 1 95 95 LYS CB C 95 32.756 32.756 33.402 -0.646 19178 8262 1 20 . 1 1 95 95 LYS H H 95 7.520 7.520 7.772 -0.252 19178 8263 1 20 . 1 1 96 96 TYR N N 96 121.000 121.000 120.301 0.699 19178 8264 1 20 . 1 1 96 96 TYR HA H 96 4.559 4.559 4.389 0.170 19178 8265 1 20 . 1 1 96 96 TYR C C 96 175.577 175.577 175.450 0.127 19178 8266 1 20 . 1 1 96 96 TYR CA C 96 58.039 58.039 57.134 0.905 19178 8267 1 20 . 1 1 96 96 TYR CB C 96 38.694 38.694 38.476 0.218 19178 8268 1 20 . 1 1 96 96 TYR H H 96 8.005 8.005 8.010 -0.005 19178 8269 1 20 . 1 1 97 97 ILE N N 97 123.003 123.003 120.535 2.468 19178 8270 1 20 . 1 1 97 97 ILE HA H 97 4.120 4.120 4.035 0.085 19178 8271 1 20 . 1 1 97 97 ILE C C 97 175.194 175.194 174.030 1.164 19178 8272 1 20 . 1 1 97 97 ILE CA C 97 60.929 60.929 59.249 1.679 19178 8273 1 20 . 1 1 97 97 ILE CB C 97 39.044 39.044 39.645 -0.601 19178 8274 1 20 . 1 1 97 97 ILE H H 97 7.832 7.832 7.727 0.105 19178 8275 1 20 . 1 1 98 98 ASP N N 98 125.070 125.070 120.726 4.344 19178 8276 1 20 . 1 1 98 98 ASP HA H 98 4.627 4.627 4.350 0.277 19178 8277 1 20 . 1 1 98 98 ASP C C 98 174.976 174.976 175.187 -0.211 19178 8278 1 20 . 1 1 98 98 ASP CA C 98 54.184 54.184 53.060 1.124 19178 8279 1 20 . 1 1 98 98 ASP CB C 98 41.502 41.502 40.263 1.239 19178 8280 1 20 . 1 1 98 98 ASP H H 98 8.245 8.245 7.999 0.246 19178 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 72 3.968 -1.155 3.822 19178 2 1 1 "Average Difference" HA 78 0.387 0.003 0.390 19178 3 1 1 "Average Difference" C 71 1.182 -0.292 1.153 19178 4 1 1 "Average Difference" CA 71 1.326 -0.197 1.321 19178 5 1 1 "Average Difference" CB 60 1.476 0.043 1.488 19178 6 1 1 "Average Difference" HN 72 0.646 -0.124 0.638 19178 7 1 2 "Average Difference" N 72 3.809 -1.108 3.670 19178 8 1 2 "Average Difference" HA 78 0.383 -0.053 0.382 19178 9 1 2 "Average Difference" C 71 1.152 -0.248 1.133 19178 10 1 2 "Average Difference" CA 71 1.153 -0.171 1.148 19178 11 1 2 "Average Difference" CB 60 1.264 -0.080 1.272 19178 12 1 2 "Average Difference" HN 72 0.615 -0.135 0.604 19178 13 1 3 "Average Difference" N 72 3.881 -0.803 3.824 19178 14 1 3 "Average Difference" HA 78 0.349 -0.013 0.351 19178 15 1 3 "Average Difference" C 71 1.223 -0.246 1.206 19178 16 1 3 "Average Difference" CA 71 1.335 -0.119 1.339 19178 17 1 3 "Average Difference" CB 60 1.404 -0.017 1.415 19178 18 1 3 "Average Difference" HN 72 0.616 -0.115 0.609 19178 19 1 4 "Average Difference" N 72 4.012 -1.296 3.824 19178 20 1 4 "Average Difference" HA 78 0.365 -0.007 0.367 19178 21 1 4 "Average Difference" C 71 1.123 -0.244 1.104 19178 22 1 4 "Average Difference" CA 71 1.208 -0.204 1.199 19178 23 1 4 "Average Difference" CB 60 1.377 -0.018 1.389 19178 24 1 4 "Average Difference" HN 72 0.622 -0.106 0.617 19178 25 1 5 "Average Difference" N 72 3.984 -0.743 3.942 19178 26 1 5 "Average Difference" HA 78 0.370 -0.033 0.371 19178 27 1 5 "Average Difference" C 71 1.128 -0.237 1.111 19178 28 1 5 "Average Difference" CA 71 1.244 -0.297 1.217 19178 29 1 5 "Average Difference" CB 60 1.260 -0.085 1.268 19178 30 1 5 "Average Difference" HN 72 0.587 -0.127 0.577 19178 31 1 6 "Average Difference" N 72 3.920 -1.014 3.813 19178 32 1 6 "Average Difference" HA 78 0.340 -0.017 0.342 19178 33 1 6 "Average Difference" C 71 1.110 -0.262 1.086 19178 34 1 6 "Average Difference" CA 71 1.233 -0.245 1.217 19178 35 1 6 "Average Difference" CB 60 1.325 -0.051 1.335 19178 36 1 6 "Average Difference" HN 72 0.631 -0.147 0.618 19178 37 1 7 "Average Difference" N 72 3.910 -0.888 3.834 19178 38 1 7 "Average Difference" HA 78 0.395 -0.009 0.398 19178 39 1 7 "Average Difference" C 71 1.167 -0.324 1.129 19178 40 1 7 "Average Difference" CA 71 1.414 -0.251 1.401 19178 41 1 7 "Average Difference" CB 60 1.345 0.010 1.356 19178 42 1 7 "Average Difference" HN 72 0.645 -0.110 0.640 19178 43 1 8 "Average Difference" N 72 3.921 -0.881 3.847 19178 44 1 8 "Average Difference" HA 78 0.357 -0.010 0.359 19178 45 1 8 "Average Difference" C 71 1.157 -0.221 1.144 19178 46 1 8 "Average Difference" CA 71 1.263 -0.204 1.255 19178 47 1 8 "Average Difference" CB 60 1.445 -0.039 1.457 19178 48 1 8 "Average Difference" HN 72 0.625 -0.127 0.616 19178 49 1 9 "Average Difference" N 72 3.986 -1.032 3.877 19178 50 1 9 "Average Difference" HA 78 0.350 -0.002 0.352 19178 51 1 9 "Average Difference" C 71 1.146 -0.298 1.114 19178 52 1 9 "Average Difference" CA 71 1.222 -0.318 1.188 19178 53 1 9 "Average Difference" CB 60 1.497 -0.032 1.509 19178 54 1 9 "Average Difference" HN 72 0.610 -0.163 0.592 19178 55 1 10 "Average Difference" N 72 4.097 -1.401 3.877 19178 56 1 10 "Average Difference" HA 78 0.358 0.004 0.361 19178 57 1 10 "Average Difference" C 71 1.257 -0.268 1.237 19178 58 1 10 "Average Difference" CA 71 1.310 -0.232 1.299 19178 59 1 10 "Average Difference" CB 60 1.305 0.066 1.314 19178 60 1 10 "Average Difference" HN 72 0.650 -0.154 0.636 19178 61 1 11 "Average Difference" N 72 3.859 -0.826 3.796 19178 62 1 11 "Average Difference" HA 78 0.355 -0.020 0.356 19178 63 1 11 "Average Difference" C 71 1.167 -0.239 1.151 19178 64 1 11 "Average Difference" CA 71 1.265 -0.214 1.256 19178 65 1 11 "Average Difference" CB 60 1.296 -0.121 1.301 19178 66 1 11 "Average Difference" HN 72 0.597 -0.104 0.592 19178 67 1 12 "Average Difference" N 72 3.813 -1.051 3.691 19178 68 1 12 "Average Difference" HA 78 0.346 -0.035 0.346 19178 69 1 12 "Average Difference" C 71 1.181 -0.235 1.165 19178 70 1 12 "Average Difference" CA 71 1.210 -0.252 1.192 19178 71 1 12 "Average Difference" CB 60 1.336 0.006 1.347 19178 72 1 12 "Average Difference" HN 72 0.615 -0.107 0.609 19178 73 1 13 "Average Difference" N 72 3.899 -1.025 3.788 19178 74 1 13 "Average Difference" HA 78 0.360 -0.040 0.360 19178 75 1 13 "Average Difference" C 71 1.117 -0.197 1.108 19178 76 1 13 "Average Difference" CA 71 1.259 -0.235 1.245 19178 77 1 13 "Average Difference" CB 60 1.361 -0.033 1.372 19178 78 1 13 "Average Difference" HN 72 0.603 -0.165 0.584 19178 79 1 14 "Average Difference" N 72 3.612 -0.960 3.507 19178 80 1 14 "Average Difference" HA 78 0.361 -0.026 0.362 19178 81 1 14 "Average Difference" C 71 1.160 -0.227 1.146 19178 82 1 14 "Average Difference" CA 71 1.325 -0.190 1.320 19178 83 1 14 "Average Difference" CB 60 1.462 -0.204 1.460 19178 84 1 14 "Average Difference" HN 72 0.634 -0.106 0.630 19178 85 1 15 "Average Difference" N 72 3.989 -1.139 3.850 19178 86 1 15 "Average Difference" HA 78 0.367 -0.011 0.369 19178 87 1 15 "Average Difference" C 71 1.176 -0.242 1.159 19178 88 1 15 "Average Difference" CA 71 1.191 -0.262 1.170 19178 89 1 15 "Average Difference" CB 60 1.293 -0.091 1.301 19178 90 1 15 "Average Difference" HN 72 0.620 -0.132 0.610 19178 91 1 16 "Average Difference" N 72 3.827 -0.987 3.723 19178 92 1 16 "Average Difference" HA 78 0.359 -0.011 0.361 19178 93 1 16 "Average Difference" C 71 1.208 -0.199 1.200 19178 94 1 16 "Average Difference" CA 71 1.238 -0.209 1.229 19178 95 1 16 "Average Difference" CB 60 1.350 -0.079 1.359 19178 96 1 16 "Average Difference" HN 72 0.618 -0.139 0.606 19178 97 1 17 "Average Difference" N 72 3.883 -1.139 3.738 19178 98 1 17 "Average Difference" HA 78 0.350 -0.009 0.353 19178 99 1 17 "Average Difference" C 71 1.277 -0.280 1.255 19178 100 1 17 "Average Difference" CA 71 1.327 -0.285 1.305 19178 101 1 17 "Average Difference" CB 60 1.412 -0.054 1.423 19178 102 1 17 "Average Difference" HN 72 0.625 -0.163 0.608 19178 103 1 18 "Average Difference" N 72 3.776 -0.913 3.690 19178 104 1 18 "Average Difference" HA 78 0.355 0.013 0.357 19178 105 1 18 "Average Difference" C 71 1.166 -0.299 1.135 19178 106 1 18 "Average Difference" CA 71 1.257 -0.201 1.250 19178 107 1 18 "Average Difference" CB 60 1.443 0.081 1.453 19178 108 1 18 "Average Difference" HN 72 0.630 -0.125 0.622 19178 109 1 19 "Average Difference" N 72 3.987 -0.978 3.892 19178 110 1 19 "Average Difference" HA 78 0.353 -0.018 0.355 19178 111 1 19 "Average Difference" C 71 1.297 -0.280 1.276 19178 112 1 19 "Average Difference" CA 71 1.204 -0.306 1.172 19178 113 1 19 "Average Difference" CB 60 1.312 -0.079 1.321 19178 114 1 19 "Average Difference" HN 72 0.622 -0.104 0.618 19178 115 1 20 "Average Difference" N 72 3.968 -1.207 3.806 19178 116 1 20 "Average Difference" HA 78 0.367 -0.024 0.368 19178 117 1 20 "Average Difference" C 71 1.047 -0.281 1.015 19178 118 1 20 "Average Difference" CA 71 1.247 -0.249 1.231 19178 119 1 20 "Average Difference" CB 60 1.304 -0.120 1.309 19178 120 1 20 "Average Difference" HN 72 0.619 -0.139 0.608 19178 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 19178 _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 16 16 GLN HA H 16 4.330 4.330 4.168 0.162 19178 2 1 . 1 1 17 17 GLU N N 17 119.126 119.126 119.659 -0.532 19178 3 1 . 1 1 17 17 GLU HA H 17 4.329 4.329 4.219 0.110 19178 4 1 . 1 1 17 17 GLU H H 17 8.422 8.422 8.673 -0.251 19178 5 1 . 1 1 18 18 GLN N N 18 120.450 120.450 118.875 1.575 19178 6 1 . 1 1 18 18 GLN HA H 18 4.081 4.081 4.173 -0.092 19178 7 1 . 1 1 18 18 GLN H H 18 8.729 8.729 8.260 0.469 19178 8 1 . 1 1 19 19 TRP N N 19 121.902 121.902 121.184 0.718 19178 9 1 . 1 1 19 19 TRP HA H 19 4.125 4.125 4.357 -0.232 19178 10 1 . 1 1 19 19 TRP C C 19 179.400 179.400 177.628 1.772 19178 11 1 . 1 1 19 19 TRP CA C 19 62.361 62.361 60.662 1.699 19178 12 1 . 1 1 19 19 TRP CB C 19 29.938 29.938 29.192 0.746 19178 13 1 . 1 1 19 19 TRP H H 19 8.561 8.561 8.058 0.503 19178 14 1 . 1 1 20 20 ALA N N 20 122.759 122.759 122.263 0.496 19178 15 1 . 1 1 20 20 ALA HA H 20 3.815 3.815 3.643 0.172 19178 16 1 . 1 1 20 20 ALA C C 20 180.433 180.433 179.074 1.359 19178 17 1 . 1 1 20 20 ALA CA C 20 55.619 55.619 54.648 0.971 19178 18 1 . 1 1 20 20 ALA CB C 20 18.474 18.474 18.088 0.387 19178 19 1 . 1 1 20 20 ALA H H 20 8.828 8.828 7.749 1.079 19178 20 1 . 1 1 21 21 MET N N 21 117.474 117.474 117.001 0.473 19178 21 1 . 1 1 21 21 MET HA H 21 4.479 4.479 3.999 0.480 19178 22 1 . 1 1 21 21 MET C C 21 178.744 178.744 178.230 0.514 19178 23 1 . 1 1 21 21 MET CA C 21 56.778 56.778 58.349 -1.571 19178 24 1 . 1 1 21 21 MET CB C 21 29.956 29.956 32.034 -2.078 19178 25 1 . 1 1 21 21 MET H H 21 8.702 8.702 7.861 0.841 19178 26 1 . 1 1 22 22 GLN N N 22 119.738 119.738 119.426 0.312 19178 27 1 . 1 1 22 22 GLN HA H 22 4.025 4.025 3.819 0.206 19178 28 1 . 1 1 22 22 GLN C C 22 180.104 180.104 178.084 2.020 19178 29 1 . 1 1 22 22 GLN CA C 22 58.872 58.872 59.429 -0.557 19178 30 1 . 1 1 22 22 GLN CB C 22 27.880 27.880 27.921 -0.041 19178 31 1 . 1 1 22 22 GLN H H 22 8.531 8.531 7.801 0.730 19178 32 1 . 1 1 23 23 THR N N 23 117.049 117.049 115.674 1.375 19178 33 1 . 1 1 23 23 THR HA H 23 3.715 3.715 3.933 -0.218 19178 34 1 . 1 1 23 23 THR C C 23 177.477 177.477 176.525 0.952 19178 35 1 . 1 1 23 23 THR CA C 23 66.380 66.380 65.360 1.020 19178 36 1 . 1 1 23 23 THR CB C 23 67.579 67.579 68.423 -0.844 19178 37 1 . 1 1 23 23 THR H H 23 7.752 7.752 7.661 0.091 19178 38 1 . 1 1 24 24 LEU N N 24 125.735 125.735 122.127 3.608 19178 39 1 . 1 1 24 24 LEU HA H 24 3.731 3.731 3.844 -0.113 19178 40 1 . 1 1 24 24 LEU C C 24 178.544 178.544 179.306 -0.762 19178 41 1 . 1 1 24 24 LEU CA C 24 58.882 58.882 58.338 0.544 19178 42 1 . 1 1 24 24 LEU CB C 24 41.550 41.550 41.913 -0.363 19178 43 1 . 1 1 24 24 LEU H H 24 7.886 7.886 7.514 0.372 19178 44 1 . 1 1 25 25 MET N N 25 118.622 118.622 116.714 1.908 19178 45 1 . 1 1 25 25 MET HA H 25 4.717 4.717 4.430 0.287 19178 46 1 . 1 1 25 25 MET C C 25 181.465 181.465 178.380 3.085 19178 47 1 . 1 1 25 25 MET CA C 25 55.604 55.604 58.241 -2.637 19178 48 1 . 1 1 25 25 MET CB C 25 32.071 32.071 32.611 -0.540 19178 49 1 . 1 1 25 25 MET H H 25 8.619 8.619 8.421 0.198 19178 50 1 . 1 1 26 26 GLY N N 26 110.755 110.755 107.573 3.182 19178 51 1 . 1 1 26 26 GLY C C 26 174.662 174.662 175.700 -1.038 19178 52 1 . 1 1 26 26 GLY CA C 26 46.788 46.788 46.262 0.526 19178 53 1 . 1 1 26 26 GLY H H 26 8.953 8.953 8.159 0.794 19178 54 1 . 1 1 27 27 SER N N 27 109.977 109.977 116.170 -6.193 19178 55 1 . 1 1 27 27 SER HA H 27 4.422 4.422 4.242 0.180 19178 56 1 . 1 1 27 27 SER C C 27 175.612 175.612 175.482 0.130 19178 57 1 . 1 1 27 27 SER CA C 27 58.309 58.309 59.221 -0.912 19178 58 1 . 1 1 27 27 SER CB C 27 64.423 64.423 63.394 1.029 19178 59 1 . 1 1 27 27 SER H H 27 7.335 7.335 7.725 -0.390 19178 60 1 . 1 1 28 28 GLY N N 28 110.105 110.105 108.267 1.838 19178 61 1 . 1 1 28 28 GLY C C 28 174.029 174.029 174.886 -0.857 19178 62 1 . 1 1 28 28 GLY CA C 28 45.371 45.371 45.460 -0.089 19178 63 1 . 1 1 28 28 GLY H H 28 7.536 7.536 7.852 -0.316 19178 64 1 . 1 1 29 29 VAL N N 29 121.444 121.444 119.814 1.630 19178 65 1 . 1 1 29 29 VAL HA H 29 4.720 4.720 3.848 0.872 19178 66 1 . 1 1 29 29 VAL C C 29 177.149 177.149 175.829 1.320 19178 67 1 . 1 1 29 29 VAL CA C 29 66.474 66.474 64.905 1.569 19178 68 1 . 1 1 29 29 VAL CB C 29 32.694 32.694 32.320 0.374 19178 69 1 . 1 1 29 29 VAL H H 29 7.738 7.738 7.584 0.154 19178 70 1 . 1 1 30 30 LEU N N 30 115.594 115.594 116.407 -0.813 19178 71 1 . 1 1 30 30 LEU HA H 30 5.349 5.349 4.365 0.984 19178 72 1 . 1 1 30 30 LEU C C 30 174.427 174.427 174.863 -0.436 19178 73 1 . 1 1 30 30 LEU CA C 30 52.231 52.231 53.355 -1.124 19178 74 1 . 1 1 30 30 LEU CB C 30 43.525 43.525 44.116 -0.591 19178 75 1 . 1 1 30 30 LEU H H 30 7.090 7.090 7.214 -0.124 19178 76 1 . 1 1 31 31 ALA N N 31 122.020 122.020 121.177 0.843 19178 77 1 . 1 1 31 31 ALA HA H 31 4.539 4.539 4.696 -0.157 19178 78 1 . 1 1 31 31 ALA C C 31 175.130 175.130 175.467 -0.337 19178 79 1 . 1 1 31 31 ALA CA C 31 50.963 50.963 50.959 0.004 19178 80 1 . 1 1 31 31 ALA CB C 31 22.314 22.314 21.258 1.056 19178 81 1 . 1 1 31 31 ALA H H 31 8.981 8.981 8.523 0.458 19178 82 1 . 1 1 32 32 ARG N N 32 118.606 118.606 121.217 -2.611 19178 83 1 . 1 1 32 32 ARG HA H 32 5.342 5.342 4.659 0.683 19178 84 1 . 1 1 32 32 ARG C C 32 178.051 178.051 175.102 2.949 19178 85 1 . 1 1 32 32 ARG CA C 32 54.543 54.543 54.379 0.164 19178 86 1 . 1 1 32 32 ARG CB C 32 31.485 31.485 32.269 -0.783 19178 87 1 . 1 1 32 32 ARG H H 32 8.223 8.223 8.209 0.014 19178 88 1 . 1 1 33 33 CYS N N 33 125.750 125.750 122.044 3.706 19178 89 1 . 1 1 33 33 CYS HA H 33 4.117 4.117 4.537 -0.420 19178 90 1 . 1 1 33 33 CYS C C 33 175.978 175.978 176.495 -0.517 19178 91 1 . 1 1 33 33 CYS CA C 33 60.620 60.620 58.714 1.906 19178 92 1 . 1 1 33 33 CYS CB C 33 27.213 27.213 28.989 -1.776 19178 93 1 . 1 1 33 33 CYS H H 33 8.314 8.314 8.568 -0.255 19178 94 1 . 1 1 34 34 ARG N N 34 128.053 128.053 127.229 0.824 19178 95 1 . 1 1 34 34 ARG HA H 34 3.926 3.926 4.108 -0.182 19178 96 1 . 1 1 34 34 ARG C C 34 176.565 176.565 176.079 0.486 19178 97 1 . 1 1 34 34 ARG CA C 34 58.719 58.719 58.351 0.368 19178 98 1 . 1 1 34 34 ARG CB C 34 30.159 30.159 29.677 0.481 19178 99 1 . 1 1 34 34 ARG H H 34 8.578 8.578 8.809 -0.231 19178 100 1 . 1 1 35 35 ILE N N 35 122.502 122.502 116.662 5.840 19178 101 1 . 1 1 35 35 ILE HA H 35 3.843 3.843 4.057 -0.214 19178 102 1 . 1 1 35 35 ILE C C 35 176.028 176.028 174.969 1.059 19178 103 1 . 1 1 35 35 ILE CA C 35 62.035 62.035 61.119 0.916 19178 104 1 . 1 1 35 35 ILE CB C 35 39.125 39.125 38.653 0.472 19178 105 1 . 1 1 35 35 ILE H H 35 8.932 8.932 7.418 1.514 19178 106 1 . 1 1 36 36 HIS N N 36 121.974 121.974 117.594 4.380 19178 107 1 . 1 1 36 36 HIS HA H 36 4.569 4.569 4.858 -0.289 19178 108 1 . 1 1 36 36 HIS CB C 36 31.187 31.187 30.270 0.917 19178 109 1 . 1 1 36 36 HIS H H 36 8.078 8.078 7.423 0.655 19178 110 1 . 1 1 37 37 ASN N N 37 119.433 119.433 120.271 -0.838 19178 111 1 . 1 1 37 37 ASN HA H 37 4.399 4.399 4.649 -0.250 19178 112 1 . 1 1 37 37 ASN C C 37 173.906 173.906 175.225 -1.319 19178 113 1 . 1 1 37 37 ASN CA C 37 56.407 56.407 54.171 2.236 19178 114 1 . 1 1 37 37 ASN CB C 37 39.331 39.331 39.385 -0.054 19178 115 1 . 1 1 37 37 ASN H H 37 8.386 8.386 8.615 -0.229 19178 116 1 . 1 1 38 38 ASP N N 38 112.673 112.673 118.130 -5.457 19178 117 1 . 1 1 38 38 ASP HA H 38 4.385 4.385 4.706 -0.321 19178 118 1 . 1 1 38 38 ASP C C 38 175.841 175.841 175.066 0.775 19178 119 1 . 1 1 38 38 ASP CA C 38 53.983 53.983 54.242 -0.259 19178 120 1 . 1 1 38 38 ASP CB C 38 40.263 40.263 40.658 -0.395 19178 121 1 . 1 1 38 38 ASP H H 38 8.880 8.880 8.396 0.484 19178 122 1 . 1 1 39 39 VAL N N 39 124.385 124.385 119.143 5.242 19178 123 1 . 1 1 39 39 VAL HA H 39 3.944 3.944 4.070 -0.126 19178 124 1 . 1 1 39 39 VAL C C 39 173.731 173.731 174.391 -0.660 19178 125 1 . 1 1 39 39 VAL CA C 39 63.514 63.514 61.245 2.269 19178 126 1 . 1 1 39 39 VAL CB C 39 32.408 32.408 34.026 -1.618 19178 127 1 . 1 1 39 39 VAL H H 39 8.253 8.253 7.443 0.810 19178 128 1 . 1 1 40 40 ILE N N 40 128.130 128.130 125.288 2.842 19178 129 1 . 1 1 40 40 ILE HA H 40 4.222 4.222 4.216 0.006 19178 130 1 . 1 1 40 40 ILE C C 40 174.090 174.090 173.837 0.253 19178 131 1 . 1 1 40 40 ILE CA C 40 60.635 60.635 59.268 1.367 19178 132 1 . 1 1 40 40 ILE CB C 40 38.281 38.281 39.488 -1.207 19178 133 1 . 1 1 40 40 ILE H H 40 7.836 7.836 7.613 0.223 19178 134 1 . 1 1 41 41 LEU N N 41 124.924 124.924 127.947 -3.023 19178 135 1 . 1 1 41 41 LEU HA H 41 4.884 4.884 4.773 0.111 19178 136 1 . 1 1 41 41 LEU C C 41 175.989 175.989 175.328 0.661 19178 137 1 . 1 1 41 41 LEU CA C 41 52.654 52.654 52.989 -0.335 19178 138 1 . 1 1 41 41 LEU CB C 41 45.122 45.122 45.048 0.074 19178 139 1 . 1 1 41 41 LEU H H 41 8.836 8.836 8.691 0.145 19178 140 1 . 1 1 42 42 ASP N N 42 119.247 119.247 121.703 -2.456 19178 141 1 . 1 1 42 42 ASP HA H 42 4.858 4.858 4.598 0.260 19178 142 1 . 1 1 42 42 ASP C C 42 176.128 176.128 175.754 0.374 19178 143 1 . 1 1 42 42 ASP CA C 42 53.328 53.328 54.284 -0.956 19178 144 1 . 1 1 42 42 ASP CB C 42 41.408 41.408 42.039 -0.631 19178 145 1 . 1 1 42 42 ASP H H 42 8.725 8.725 8.526 0.199 19178 146 1 . 1 1 43 43 SER N N 43 123.344 123.344 121.357 1.987 19178 147 1 . 1 1 43 43 SER HA H 43 4.178 4.178 4.504 -0.326 19178 148 1 . 1 1 43 43 SER C C 43 176.291 176.291 175.388 0.903 19178 149 1 . 1 1 43 43 SER CA C 43 60.431 60.431 59.166 1.265 19178 150 1 . 1 1 43 43 SER CB C 43 64.943 64.943 64.032 0.911 19178 151 1 . 1 1 43 43 SER H H 43 8.462 8.462 8.545 -0.083 19178 152 1 . 1 1 44 44 GLY N N 44 112.184 112.184 109.161 3.023 19178 153 1 . 1 1 44 44 GLY C C 44 174.525 174.525 174.100 0.425 19178 154 1 . 1 1 44 44 GLY CA C 44 45.368 45.368 44.975 0.393 19178 155 1 . 1 1 44 44 GLY H H 44 9.230 9.230 8.444 0.786 19178 156 1 . 1 1 45 45 ASN N N 45 119.774 119.774 118.282 1.492 19178 157 1 . 1 1 45 45 ASN HA H 45 4.681 4.681 4.800 -0.119 19178 158 1 . 1 1 45 45 ASN C C 45 174.866 174.866 174.324 0.542 19178 159 1 . 1 1 45 45 ASN CA C 45 52.807 52.807 52.520 0.287 19178 160 1 . 1 1 45 45 ASN CB C 45 39.241 39.241 40.041 -0.800 19178 161 1 . 1 1 45 45 ASN H H 45 8.486 8.486 7.979 0.507 19178 162 1 . 1 1 46 46 ASP N N 46 120.223 120.223 120.021 0.202 19178 163 1 . 1 1 46 46 ASP HA H 46 4.367 4.367 4.477 -0.110 19178 164 1 . 1 1 46 46 ASP C C 46 177.272 177.272 176.409 0.863 19178 165 1 . 1 1 46 46 ASP CA C 46 54.869 54.869 55.049 -0.180 19178 166 1 . 1 1 46 46 ASP CB C 46 42.461 42.461 40.420 2.041 19178 167 1 . 1 1 46 46 ASP H H 46 8.387 8.387 8.575 -0.188 19178 168 1 . 1 1 47 47 ALA N N 47 126.587 126.587 129.273 -2.686 19178 169 1 . 1 1 47 47 ALA HA H 47 3.741 3.741 4.016 -0.275 19178 170 1 . 1 1 47 47 ALA C C 47 177.980 177.980 178.284 -0.304 19178 171 1 . 1 1 47 47 ALA CA C 47 53.866 53.866 54.027 -0.161 19178 172 1 . 1 1 47 47 ALA CB C 47 16.554 16.554 18.696 -2.142 19178 173 1 . 1 1 47 47 ALA H H 47 8.747 8.747 8.427 0.320 19178 174 1 . 1 1 48 48 SER N N 48 115.463 115.463 114.216 1.247 19178 175 1 . 1 1 48 48 SER HA H 48 4.203 4.203 4.129 0.074 19178 176 1 . 1 1 48 48 SER CA C 48 61.994 61.994 61.480 0.514 19178 177 1 . 1 1 48 48 SER H H 48 8.973 8.973 8.310 0.663 19178 178 1 . 1 1 49 49 SER C C 49 176.587 176.587 176.053 0.534 19178 179 1 . 1 1 49 49 SER CA C 49 62.279 62.279 61.395 0.884 19178 180 1 . 1 1 50 50 ALA N N 50 125.775 125.775 124.775 1.000 19178 181 1 . 1 1 50 50 ALA HA H 50 4.076 4.076 4.192 -0.116 19178 182 1 . 1 1 50 50 ALA C C 50 179.125 179.125 180.096 -0.971 19178 183 1 . 1 1 50 50 ALA CA C 50 54.822 54.822 54.680 0.142 19178 184 1 . 1 1 50 50 ALA CB C 50 18.834 18.834 18.322 0.512 19178 185 1 . 1 1 50 50 ALA H H 50 7.620 7.620 7.515 0.105 19178 186 1 . 1 1 51 51 TYR N N 51 117.562 117.562 118.197 -0.635 19178 187 1 . 1 1 51 51 TYR HA H 51 4.275 4.275 4.173 0.102 19178 188 1 . 1 1 51 51 TYR C C 51 179.622 179.622 178.334 1.288 19178 189 1 . 1 1 51 51 TYR CA C 51 60.966 60.966 59.956 1.010 19178 190 1 . 1 1 51 51 TYR CB C 51 36.803 36.803 37.465 -0.662 19178 191 1 . 1 1 51 51 TYR H H 51 7.397 7.397 8.309 -0.912 19178 192 1 . 1 1 52 52 LYS N N 52 121.441 121.441 120.844 0.597 19178 193 1 . 1 1 52 52 LYS HA H 52 4.103 4.103 4.073 0.030 19178 194 1 . 1 1 52 52 LYS C C 52 179.041 179.041 179.000 0.041 19178 195 1 . 1 1 52 52 LYS CA C 52 59.827 59.827 59.434 0.393 19178 196 1 . 1 1 52 52 LYS H H 52 8.332 8.332 8.236 0.096 19178 197 1 . 1 1 53 53 LEU N N 53 122.286 122.286 119.400 2.886 19178 198 1 . 1 1 53 53 LEU HA H 53 4.376 4.376 4.177 0.199 19178 199 1 . 1 1 53 53 LEU C C 53 178.373 178.373 178.939 -0.566 19178 200 1 . 1 1 53 53 LEU CA C 53 57.863 57.863 57.758 0.105 19178 201 1 . 1 1 53 53 LEU CB C 53 41.288 41.288 41.278 0.010 19178 202 1 . 1 1 53 53 LEU H H 53 7.671 7.671 8.397 -0.726 19178 203 1 . 1 1 54 54 GLY N N 54 127.824 127.824 107.202 20.622 19178 204 1 . 1 1 54 54 GLY C C 54 174.865 174.865 175.904 -1.039 19178 205 1 . 1 1 54 54 GLY CA C 54 47.971 47.971 47.416 0.555 19178 206 1 . 1 1 54 54 GLY H H 54 9.020 9.020 8.649 0.371 19178 207 1 . 1 1 55 55 THR N N 55 117.961 117.961 118.273 -0.312 19178 208 1 . 1 1 55 55 THR HA H 55 4.445 4.445 4.230 0.215 19178 209 1 . 1 1 55 55 THR C C 55 175.188 175.188 176.325 -1.137 19178 210 1 . 1 1 55 55 THR CA C 55 67.593 67.593 66.906 0.687 19178 211 1 . 1 1 55 55 THR H H 55 8.123 8.123 8.439 -0.316 19178 212 1 . 1 1 56 56 TYR N N 56 122.294 122.294 122.995 -0.701 19178 213 1 . 1 1 56 56 TYR HA H 56 4.346 4.346 4.343 0.003 19178 214 1 . 1 1 56 56 TYR C C 56 177.909 177.909 177.388 0.521 19178 215 1 . 1 1 56 56 TYR CA C 56 61.147 61.147 60.863 0.284 19178 216 1 . 1 1 56 56 TYR CB C 56 37.981 37.981 38.213 -0.232 19178 217 1 . 1 1 56 56 TYR H H 56 7.697 7.697 8.198 -0.501 19178 218 1 . 1 1 57 57 LEU N N 57 118.703 118.703 119.102 -0.399 19178 219 1 . 1 1 57 57 LEU HA H 57 3.914 3.914 3.864 0.050 19178 220 1 . 1 1 57 57 LEU C C 57 180.087 180.087 178.519 1.568 19178 221 1 . 1 1 57 57 LEU CA C 57 57.780 57.780 57.388 0.392 19178 222 1 . 1 1 57 57 LEU CB C 57 42.026 42.026 41.886 0.140 19178 223 1 . 1 1 57 57 LEU H H 57 8.909 8.909 7.920 0.989 19178 224 1 . 1 1 58 58 TYR N N 58 120.667 120.667 116.642 4.025 19178 225 1 . 1 1 58 58 TYR HA H 58 4.209 4.209 4.275 -0.066 19178 226 1 . 1 1 58 58 TYR C C 58 177.511 177.511 176.809 0.702 19178 227 1 . 1 1 58 58 TYR CA C 58 61.641 61.641 60.290 1.351 19178 228 1 . 1 1 58 58 TYR H H 58 8.971 8.971 8.117 0.854 19178 229 1 . 1 1 59 59 GLN N N 59 119.344 119.344 116.949 2.395 19178 230 1 . 1 1 59 59 GLN HA H 59 4.668 4.668 4.465 0.203 19178 231 1 . 1 1 59 59 GLN C C 59 179.270 179.270 175.073 4.197 19178 232 1 . 1 1 59 59 GLN H H 59 8.378 8.378 8.020 0.358 19178 233 1 . 1 1 67 67 PHE HA H 67 4.852 4.852 4.411 0.441 19178 234 1 . 1 1 67 67 PHE C C 67 175.889 175.889 175.540 0.349 19178 235 1 . 1 1 67 67 PHE CA C 67 55.576 55.576 58.258 -2.682 19178 236 1 . 1 1 67 67 PHE CB C 67 42.444 42.444 39.271 3.173 19178 237 1 . 1 1 68 68 ASN N N 68 120.775 120.775 119.926 0.849 19178 238 1 . 1 1 68 68 ASN C C 68 175.338 175.338 174.769 0.569 19178 239 1 . 1 1 68 68 ASN CA C 68 55.092 55.092 53.327 1.766 19178 240 1 . 1 1 68 68 ASN CB C 68 40.006 40.006 39.308 0.698 19178 241 1 . 1 1 68 68 ASN H H 68 9.560 9.560 8.200 1.360 19178 242 1 . 1 1 69 69 THR N N 69 127.914 127.914 117.191 10.723 19178 243 1 . 1 1 69 69 THR HA H 69 4.732 4.732 4.419 0.313 19178 244 1 . 1 1 69 69 THR C C 69 173.530 173.530 175.237 -1.707 19178 245 1 . 1 1 69 69 THR CA C 69 58.877 58.877 61.381 -2.504 19178 246 1 . 1 1 69 69 THR CB C 69 73.620 73.620 70.321 3.299 19178 247 1 . 1 1 69 69 THR H H 69 7.237 7.237 8.279 -1.042 19178 248 1 . 1 1 70 70 LEU N N 70 122.013 122.013 127.672 -5.659 19178 249 1 . 1 1 70 70 LEU HA H 70 3.005 3.005 4.244 -1.239 19178 250 1 . 1 1 70 70 LEU C C 70 178.252 178.252 177.989 0.263 19178 251 1 . 1 1 70 70 LEU CA C 70 56.721 56.721 57.259 -0.538 19178 252 1 . 1 1 70 70 LEU CB C 70 41.199 41.199 41.474 -0.275 19178 253 1 . 1 1 70 70 LEU H H 70 8.614 8.614 8.837 -0.223 19178 254 1 . 1 1 71 71 THR N N 71 114.041 114.041 114.751 -0.710 19178 255 1 . 1 1 71 71 THR HA H 71 3.620 3.620 3.887 -0.267 19178 256 1 . 1 1 71 71 THR C C 71 175.400 175.400 176.571 -1.171 19178 257 1 . 1 1 71 71 THR CA C 71 66.405 66.405 66.847 -0.442 19178 258 1 . 1 1 71 71 THR CB C 71 68.517 68.517 68.224 0.293 19178 259 1 . 1 1 71 71 THR H H 71 7.694 7.694 8.162 -0.468 19178 260 1 . 1 1 72 72 GLU N N 72 120.141 120.141 120.900 -0.759 19178 261 1 . 1 1 72 72 GLU HA H 72 3.997 3.997 3.969 0.028 19178 262 1 . 1 1 72 72 GLU C C 72 178.982 178.982 178.155 0.827 19178 263 1 . 1 1 72 72 GLU CA C 72 59.250 59.250 59.395 -0.145 19178 264 1 . 1 1 72 72 GLU CB C 72 30.907 30.907 29.131 1.776 19178 265 1 . 1 1 72 72 GLU H H 72 7.514 7.514 7.697 -0.183 19178 266 1 . 1 1 73 73 ALA N N 73 123.400 123.400 122.497 0.903 19178 267 1 . 1 1 73 73 ALA HA H 73 2.167 2.167 3.591 -1.424 19178 268 1 . 1 1 73 73 ALA C C 73 178.959 178.959 179.345 -0.386 19178 269 1 . 1 1 73 73 ALA CA C 73 54.323 54.323 54.910 -0.587 19178 270 1 . 1 1 73 73 ALA CB C 73 17.561 17.561 18.049 -0.488 19178 271 1 . 1 1 73 73 ALA H H 73 6.788 6.788 7.442 -0.654 19178 272 1 . 1 1 74 74 ARG N N 74 116.272 116.272 117.992 -1.720 19178 273 1 . 1 1 74 74 ARG HA H 74 3.887 3.887 3.860 0.027 19178 274 1 . 1 1 74 74 ARG C C 74 179.230 179.230 178.148 1.082 19178 275 1 . 1 1 74 74 ARG CA C 74 60.442 60.442 59.356 1.086 19178 276 1 . 1 1 74 74 ARG CB C 74 29.878 29.878 29.832 0.046 19178 277 1 . 1 1 74 74 ARG H H 74 8.145 8.145 8.377 -0.233 19178 278 1 . 1 1 75 75 ASP N N 75 120.487 120.487 118.994 1.493 19178 279 1 . 1 1 75 75 ASP HA H 75 4.446 4.446 4.443 0.003 19178 280 1 . 1 1 75 75 ASP C C 75 178.040 178.040 177.867 0.173 19178 281 1 . 1 1 75 75 ASP CA C 75 57.166 57.166 56.873 0.293 19178 282 1 . 1 1 75 75 ASP CB C 75 39.687 39.687 40.668 -0.981 19178 283 1 . 1 1 75 75 ASP H H 75 8.594 8.594 8.166 0.428 19178 284 1 . 1 1 76 76 ALA N N 76 122.773 122.773 123.065 -0.292 19178 285 1 . 1 1 76 76 ALA HA H 76 4.345 4.345 4.074 0.271 19178 286 1 . 1 1 76 76 ALA C C 76 181.221 181.221 179.642 1.579 19178 287 1 . 1 1 76 76 ALA CA C 76 55.245 55.245 55.214 0.031 19178 288 1 . 1 1 76 76 ALA CB C 76 18.316 18.316 18.611 -0.295 19178 289 1 . 1 1 76 76 ALA H H 76 7.668 7.668 7.772 -0.104 19178 290 1 . 1 1 77 77 ILE N N 77 120.254 120.254 116.569 3.685 19178 291 1 . 1 1 77 77 ILE HA H 77 3.632 3.632 3.841 -0.209 19178 292 1 . 1 1 77 77 ILE C C 77 176.567 176.567 177.640 -1.073 19178 293 1 . 1 1 77 77 ILE CA C 77 66.365 66.365 64.271 2.094 19178 294 1 . 1 1 77 77 ILE CB C 77 37.947 37.947 37.220 0.727 19178 295 1 . 1 1 77 77 ILE H H 77 7.724 7.724 8.314 -0.591 19178 296 1 . 1 1 78 78 LYS N N 78 122.773 122.773 120.852 1.921 19178 297 1 . 1 1 78 78 LYS HA H 78 4.265 4.265 3.954 0.311 19178 298 1 . 1 1 78 78 LYS C C 78 178.382 178.382 178.639 -0.257 19178 299 1 . 1 1 78 78 LYS CA C 78 60.442 60.442 59.376 1.066 19178 300 1 . 1 1 78 78 LYS CB C 78 33.021 33.021 31.832 1.189 19178 301 1 . 1 1 78 78 LYS H H 78 8.465 8.465 8.232 0.233 19178 302 1 . 1 1 79 79 ASP N N 79 118.165 118.165 119.970 -1.805 19178 303 1 . 1 1 79 79 ASP HA H 79 4.353 4.353 4.485 -0.132 19178 304 1 . 1 1 79 79 ASP C C 79 179.289 179.289 178.170 1.119 19178 305 1 . 1 1 79 79 ASP CA C 79 57.245 57.245 57.147 0.098 19178 306 1 . 1 1 79 79 ASP H H 79 8.541 8.541 8.265 0.276 19178 307 1 . 1 1 80 80 ALA N N 80 122.362 122.362 122.941 -0.579 19178 308 1 . 1 1 80 80 ALA HA H 80 4.340 4.340 4.195 0.145 19178 309 1 . 1 1 80 80 ALA C C 80 179.265 179.265 180.131 -0.866 19178 310 1 . 1 1 80 80 ALA CA C 80 54.979 54.979 55.262 -0.283 19178 311 1 . 1 1 80 80 ALA CB C 80 18.254 18.254 18.581 -0.327 19178 312 1 . 1 1 80 80 ALA H H 80 7.727 7.727 8.083 -0.356 19178 313 1 . 1 1 81 81 TYR N N 81 118.882 118.882 118.137 0.745 19178 314 1 . 1 1 81 81 TYR HA H 81 4.115 4.115 4.254 -0.139 19178 315 1 . 1 1 81 81 TYR C C 81 178.146 178.146 178.570 -0.424 19178 316 1 . 1 1 81 81 TYR CA C 81 61.635 61.635 60.856 0.778 19178 317 1 . 1 1 81 81 TYR CB C 81 38.115 38.115 38.130 -0.015 19178 318 1 . 1 1 81 81 TYR H H 81 9.037 9.037 9.055 -0.018 19178 319 1 . 1 1 82 82 GLU N N 82 116.630 116.630 118.027 -1.397 19178 320 1 . 1 1 82 82 GLU HA H 82 3.816 3.816 4.148 -0.332 19178 321 1 . 1 1 82 82 GLU C C 82 178.664 178.664 178.312 0.352 19178 322 1 . 1 1 82 82 GLU CA C 82 59.304 59.304 58.587 0.717 19178 323 1 . 1 1 82 82 GLU CB C 82 28.848 28.848 29.422 -0.574 19178 324 1 . 1 1 82 82 GLU H H 82 8.854 8.854 8.140 0.714 19178 325 1 . 1 1 83 83 SER N N 83 114.004 114.004 114.847 -0.843 19178 326 1 . 1 1 83 83 SER HA H 83 4.164 4.164 4.252 -0.088 19178 327 1 . 1 1 83 83 SER C C 83 174.387 174.387 175.713 -1.326 19178 328 1 . 1 1 83 83 SER CA C 83 61.038 61.038 60.673 0.365 19178 329 1 . 1 1 83 83 SER CB C 83 63.152 63.152 63.538 -0.386 19178 330 1 . 1 1 83 83 SER H H 83 7.573 7.573 8.209 -0.636 19178 331 1 . 1 1 84 84 TYR N N 84 117.323 117.323 118.381 -1.058 19178 332 1 . 1 1 84 84 TYR HA H 84 4.595 4.595 4.682 -0.086 19178 333 1 . 1 1 84 84 TYR C C 84 174.434 174.434 175.369 -0.935 19178 334 1 . 1 1 84 84 TYR CA C 84 58.871 58.871 57.408 1.463 19178 335 1 . 1 1 84 84 TYR CB C 84 41.746 41.746 39.113 2.633 19178 336 1 . 1 1 84 84 TYR H H 84 7.319 7.319 8.192 -0.873 19178 337 1 . 1 1 85 85 CYS N N 85 118.762 118.762 119.216 -0.454 19178 338 1 . 1 1 85 85 CYS HA H 85 3.940 3.940 4.151 -0.211 19178 339 1 . 1 1 85 85 CYS C C 85 176.178 176.178 176.046 0.132 19178 340 1 . 1 1 85 85 CYS CA C 85 58.817 58.817 61.603 -2.786 19178 341 1 . 1 1 85 85 CYS CB C 85 26.042 26.042 28.243 -2.201 19178 342 1 . 1 1 85 85 CYS H H 85 7.670 7.670 7.950 -0.280 19178 343 1 . 1 1 86 86 GLY N N 86 113.730 113.730 115.363 -1.633 19178 344 1 . 1 1 86 86 GLY C C 86 174.587 174.587 173.795 0.792 19178 345 1 . 1 1 86 86 GLY CA C 86 45.214 45.214 44.986 0.228 19178 346 1 . 1 1 86 86 GLY H H 86 10.799 10.799 8.698 2.101 19178 347 1 . 1 1 87 87 ILE N N 87 122.743 122.743 120.813 1.930 19178 348 1 . 1 1 87 87 ILE HA H 87 4.291 4.291 4.449 -0.158 19178 349 1 . 1 1 87 87 ILE C C 87 174.340 174.340 174.210 0.130 19178 350 1 . 1 1 87 87 ILE CA C 87 60.968 60.968 60.214 0.754 19178 351 1 . 1 1 87 87 ILE CB C 87 35.512 35.512 38.450 -2.938 19178 352 1 . 1 1 87 87 ILE H H 87 8.023 8.023 7.754 0.269 19178 353 1 . 1 1 88 88 ASP N N 88 125.059 125.059 125.160 -0.101 19178 354 1 . 1 1 88 88 ASP HA H 88 4.750 4.750 4.873 -0.123 19178 355 1 . 1 1 88 88 ASP C C 88 175.895 175.895 175.279 0.616 19178 356 1 . 1 1 88 88 ASP CA C 88 54.319 54.319 54.185 0.134 19178 357 1 . 1 1 88 88 ASP CB C 88 41.692 41.692 42.254 -0.562 19178 358 1 . 1 1 88 88 ASP H H 88 8.127 8.127 8.772 -0.645 19178 359 1 . 1 1 89 89 ASP N N 89 117.971 117.971 117.838 0.133 19178 360 1 . 1 1 89 89 ASP HA H 89 4.822 4.822 4.705 0.117 19178 361 1 . 1 1 89 89 ASP C C 89 174.069 174.069 175.081 -1.012 19178 362 1 . 1 1 89 89 ASP CA C 89 52.369 52.369 53.017 -0.648 19178 363 1 . 1 1 89 89 ASP CB C 89 43.625 43.625 43.348 0.277 19178 364 1 . 1 1 89 89 ASP H H 89 7.617 7.617 7.802 -0.185 19178 365 1 . 1 1 90 90 CYS N N 90 126.238 126.238 121.309 4.929 19178 366 1 . 1 1 90 90 CYS C C 90 175.636 175.636 175.441 0.195 19178 367 1 . 1 1 90 90 CYS CA C 90 56.215 56.215 56.423 -0.208 19178 368 1 . 1 1 90 90 CYS H H 90 8.936 8.936 8.658 0.278 19178 369 1 . 1 1 91 91 PRO HA H 91 4.460 4.460 4.311 0.149 19178 370 1 . 1 1 91 91 PRO C C 91 178.629 178.629 178.256 0.373 19178 371 1 . 1 1 91 91 PRO CA C 91 64.614 64.614 65.013 -0.399 19178 372 1 . 1 1 91 91 PRO CB C 91 32.208 32.208 32.118 0.090 19178 373 1 . 1 1 92 92 GLN N N 92 119.363 119.363 118.490 0.873 19178 374 1 . 1 1 92 92 GLN HA H 92 4.060 4.060 4.101 -0.041 19178 375 1 . 1 1 92 92 GLN C C 92 178.181 178.181 178.190 -0.009 19178 376 1 . 1 1 92 92 GLN CA C 92 57.837 57.837 59.031 -1.194 19178 377 1 . 1 1 92 92 GLN CB C 92 28.252 28.252 27.881 0.371 19178 378 1 . 1 1 92 92 GLN H H 92 8.253 8.253 8.650 -0.397 19178 379 1 . 1 1 93 93 CYS N N 93 124.725 124.725 116.225 8.500 19178 380 1 . 1 1 93 93 CYS HA H 93 4.269 4.269 4.400 -0.131 19178 381 1 . 1 1 93 93 CYS C C 93 177.180 177.180 176.446 0.734 19178 382 1 . 1 1 93 93 CYS CA C 93 64.366 64.366 61.548 2.818 19178 383 1 . 1 1 93 93 CYS CB C 93 30.379 30.379 26.299 4.080 19178 384 1 . 1 1 93 93 CYS H H 93 8.581 8.581 8.118 0.463 19178 385 1 . 1 1 94 94 SER N N 94 113.467 113.467 113.613 -0.146 19178 386 1 . 1 1 94 94 SER HA H 94 4.277 4.277 4.344 -0.067 19178 387 1 . 1 1 94 94 SER C C 94 174.481 174.481 175.745 -1.264 19178 388 1 . 1 1 94 94 SER CA C 94 59.432 59.432 60.637 -1.205 19178 389 1 . 1 1 94 94 SER CB C 94 63.217 63.217 63.262 -0.045 19178 390 1 . 1 1 94 94 SER H H 94 7.753 7.753 7.788 -0.035 19178 391 1 . 1 1 95 95 LYS N N 95 121.369 121.369 120.290 1.079 19178 392 1 . 1 1 95 95 LYS HA H 95 4.211 4.211 4.255 -0.044 19178 393 1 . 1 1 95 95 LYS C C 95 176.237 176.237 176.604 -0.367 19178 394 1 . 1 1 95 95 LYS CA C 95 56.622 56.622 56.921 -0.299 19178 395 1 . 1 1 95 95 LYS CB C 95 32.756 32.756 33.297 -0.541 19178 396 1 . 1 1 95 95 LYS H H 95 7.520 7.520 7.731 -0.211 19178 397 1 . 1 1 96 96 TYR N N 96 121.000 121.000 119.625 1.375 19178 398 1 . 1 1 96 96 TYR HA H 96 4.559 4.559 4.534 0.025 19178 399 1 . 1 1 96 96 TYR C C 96 175.577 175.577 174.839 0.738 19178 400 1 . 1 1 96 96 TYR CA C 96 58.039 58.039 57.391 0.648 19178 401 1 . 1 1 96 96 TYR CB C 96 38.694 38.694 39.554 -0.860 19178 402 1 . 1 1 96 96 TYR H H 96 8.005 8.005 7.815 0.190 19178 403 1 . 1 1 97 97 ILE N N 97 123.003 123.003 123.493 -0.491 19178 404 1 . 1 1 97 97 ILE HA H 97 4.120 4.120 4.119 0.001 19178 405 1 . 1 1 97 97 ILE C C 97 175.194 175.194 175.022 0.172 19178 406 1 . 1 1 97 97 ILE CA C 97 60.929 60.929 60.684 0.245 19178 407 1 . 1 1 97 97 ILE CB C 97 39.044 39.044 39.513 -0.469 19178 408 1 . 1 1 97 97 ILE H H 97 7.832 7.832 7.863 -0.031 19178 409 1 . 1 1 98 98 ASP N N 98 125.070 125.070 126.212 -1.142 19178 410 1 . 1 1 98 98 ASP HA H 98 4.627 4.627 4.641 -0.014 19178 411 1 . 1 1 98 98 ASP C C 98 174.976 174.976 175.549 -0.573 19178 412 1 . 1 1 98 98 ASP CA C 98 54.184 54.184 53.413 0.771 19178 413 1 . 1 1 98 98 ASP CB C 98 41.502 41.502 40.895 0.607 19178 414 1 . 1 1 98 98 ASP H H 98 8.245 8.245 8.323 -0.078 19178 stop_ save_